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 1wcm_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGXX DATA SEQUENCE XXXXXXXAGV SQVLNRYTYS STLSHLRRTN TPIXXXXXXA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGIcGLM DATA SEQUENCE TVIAKLNHNQ FECKGcDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE RSRDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.285 176.300 -0.025 0.000 2.045 20 D CA 0.000 53.991 54.000 -0.016 0.000 0.868 20 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 21 E N 0.005 120.179 120.200 -0.043 0.000 2.431 21 E HA 0.036 4.386 4.350 0.001 0.000 0.208 21 E C -0.257 176.293 176.600 -0.084 0.000 1.299 21 E CA 0.259 56.615 56.400 -0.073 0.000 1.080 21 E CB -0.121 29.518 29.700 -0.102 0.000 1.114 21 E HN 0.090 nan 8.360 nan 0.000 0.489 22 S N -0.566 115.107 115.700 -0.045 0.000 2.586 22 S HA 0.377 4.847 4.470 0.001 0.000 0.218 22 S C -0.534 174.060 174.600 -0.009 0.000 0.761 22 S CA -0.159 58.023 58.200 -0.029 0.000 0.999 22 S CB 0.872 64.053 63.200 -0.032 0.000 1.634 22 S HN 0.522 nan 8.310 nan 0.000 0.482 23 A N 2.453 125.271 122.820 -0.003 0.000 2.452 23 A HA 1.007 5.327 4.320 0.001 0.000 0.285 23 A C -2.485 175.102 177.584 0.007 0.000 1.209 23 A CA -1.784 50.256 52.037 0.006 0.000 0.940 23 A CB 0.149 19.155 19.000 0.009 0.000 1.440 23 A HN 0.262 nan 8.150 nan 0.000 0.480 24 P HA 0.346 nan 4.420 nan 0.000 0.285 24 P C -0.920 176.383 177.300 0.005 0.000 1.282 24 P CA 0.241 63.346 63.100 0.008 0.000 0.778 24 P CB 0.356 32.070 31.700 0.023 0.000 1.222 25 I N -0.819 119.753 120.570 0.002 0.000 2.529 25 I HA 0.196 4.366 4.170 0.001 0.000 0.284 25 I C 0.792 176.929 176.117 0.034 0.000 1.088 25 I CA -0.661 60.646 61.300 0.012 0.000 1.062 25 I CB 1.785 39.768 38.000 -0.028 0.000 1.218 25 I HN 0.276 nan 8.210 nan 0.000 0.442 26 T N 1.847 116.432 114.554 0.053 0.000 2.788 26 T HA 0.536 4.886 4.350 0.001 0.000 0.280 26 T C 1.379 176.129 174.700 0.083 0.000 0.984 26 T CA 0.070 62.207 62.100 0.062 0.000 0.972 26 T CB 1.604 70.513 68.868 0.068 0.000 1.039 26 T HN 0.580 nan 8.240 nan 0.000 0.530 27 A N 0.618 123.491 122.820 0.089 0.000 1.848 27 A HA -0.179 4.141 4.320 0.001 0.000 0.217 27 A C 2.188 179.849 177.584 0.128 0.000 1.220 27 A CA 2.357 54.459 52.037 0.107 0.000 0.645 27 A CB -1.750 17.332 19.000 0.136 0.000 0.842 27 A HN 1.079 nan 8.150 nan 0.000 0.451 28 E N 0.165 120.478 120.200 0.189 0.000 2.324 28 E HA -0.261 4.089 4.350 0.001 0.000 0.205 28 E C 1.421 178.178 176.600 0.262 0.000 1.031 28 E CA 1.892 58.459 56.400 0.277 0.000 0.836 28 E CB -0.322 29.517 29.700 0.232 0.000 0.742 28 E HN 0.641 nan 8.360 nan 0.000 0.491 29 D N -0.761 119.748 120.400 0.181 0.000 2.084 29 D HA -0.146 4.495 4.640 0.001 0.000 0.196 29 D C 2.021 178.443 176.300 0.203 0.000 0.985 29 D CA 1.775 55.885 54.000 0.182 0.000 0.826 29 D CB -0.422 40.459 40.800 0.135 0.000 0.978 29 D HN 0.343 nan 8.370 nan 0.000 0.456 30 S N 0.661 116.447 115.700 0.143 0.000 2.393 30 S HA -0.285 4.186 4.470 0.001 0.000 0.234 30 S C 1.980 176.630 174.600 0.084 0.000 1.064 30 S CA 1.483 59.747 58.200 0.107 0.000 1.088 30 S CB -1.521 61.639 63.200 -0.067 0.000 0.939 30 S HN 0.460 nan 8.310 nan 0.000 0.448 31 W N 2.213 123.609 121.300 0.160 0.000 2.302 31 W HA -0.201 4.459 4.660 0.001 0.000 0.320 31 W C 3.123 179.769 176.519 0.212 0.000 1.241 31 W CA 1.043 58.478 57.345 0.149 0.000 1.264 31 W CB -0.820 28.721 29.460 0.135 0.000 1.154 31 W HN 0.480 nan 8.180 nan 0.000 0.483 32 A N 0.073 123.166 122.820 0.455 0.000 1.915 32 A HA -0.292 4.028 4.320 0.001 0.000 0.220 32 A C 1.928 179.726 177.584 0.356 0.000 1.198 32 A CA 2.775 55.030 52.037 0.364 0.000 0.647 32 A CB -1.316 17.856 19.000 0.287 0.000 0.825 32 A HN 0.158 nan 8.150 nan 0.000 0.456 33 V N 0.094 120.213 119.914 0.340 0.000 2.223 33 V HA -0.305 3.816 4.120 0.001 0.000 0.244 33 V C 2.423 178.728 176.094 0.350 0.000 1.045 33 V CA 2.127 64.646 62.300 0.364 0.000 1.000 33 V CB -0.774 31.298 31.823 0.414 0.000 0.635 33 V HN 0.608 nan 8.190 nan 0.000 0.445 34 I N 0.063 120.783 120.570 0.250 0.000 2.143 34 I HA -0.340 3.830 4.170 0.001 0.000 0.245 34 I C 2.657 178.918 176.117 0.239 0.000 1.068 34 I CA 1.914 63.291 61.300 0.129 0.000 1.326 34 I CB -0.545 37.548 38.000 0.156 0.000 1.028 34 I HN 0.297 nan 8.210 nan 0.000 0.412 35 S N 0.539 116.531 115.700 0.487 0.000 2.369 35 S HA -0.303 4.167 4.470 0.001 0.000 0.225 35 S C 2.233 177.106 174.600 0.455 0.000 1.043 35 S CA 1.740 60.348 58.200 0.680 0.000 1.074 35 S CB -0.522 62.991 63.200 0.522 0.000 0.962 35 S HN 0.609 nan 8.310 nan 0.000 0.433 36 A N 0.844 123.887 122.820 0.371 0.000 1.986 36 A HA -0.133 4.187 4.320 0.001 0.000 0.220 36 A C 1.864 179.629 177.584 0.300 0.000 1.171 36 A CA 1.622 53.867 52.037 0.347 0.000 0.640 36 A CB -0.843 18.389 19.000 0.386 0.000 0.811 36 A HN 0.487 nan 8.150 nan 0.000 0.451 37 F N 0.089 119.971 119.950 -0.114 0.000 2.026 37 F HA -0.171 4.356 4.527 0.001 0.000 0.296 37 F C 1.921 177.406 175.800 -0.524 0.000 1.133 37 F CA 1.475 59.019 58.000 -0.761 0.000 1.188 37 F CB -1.047 37.230 39.000 -1.205 0.000 0.968 37 F HN 0.259 nan 8.300 nan 0.000 0.476 38 F N 0.295 120.127 119.950 -0.197 0.000 2.365 38 F HA -0.088 4.439 4.527 0.001 0.000 0.300 38 F C 2.449 178.221 175.800 -0.047 0.000 1.090 38 F CA 0.772 58.643 58.000 -0.215 0.000 1.408 38 F CB -0.511 38.518 39.000 0.048 0.000 1.060 38 F HN -0.103 nan 8.300 nan 0.000 0.534 39 R N 0.373 120.993 120.500 0.199 0.000 2.094 39 R HA -0.232 4.108 4.340 0.001 0.000 0.239 39 R C 2.158 178.526 176.300 0.113 0.000 1.137 39 R CA 2.071 58.276 56.100 0.175 0.000 0.943 39 R CB -0.491 29.927 30.300 0.197 0.000 0.850 39 R HN 0.389 nan 8.270 nan 0.000 0.433 40 E N 0.304 120.555 120.200 0.084 0.000 2.140 40 E HA -0.080 4.270 4.350 0.001 0.000 0.191 40 E C 1.567 178.164 176.600 -0.006 0.000 0.973 40 E CA 0.400 56.846 56.400 0.077 0.000 0.829 40 E CB 0.349 30.148 29.700 0.164 0.000 0.781 40 E HN 0.081 nan 8.360 nan 0.000 0.466 41 K N 0.344 120.644 120.400 -0.166 0.000 1.965 41 K HA 0.065 4.385 4.320 0.001 0.000 0.214 41 K C 0.920 177.445 176.600 -0.124 0.000 1.042 41 K CA 1.235 57.362 56.287 -0.267 0.000 0.950 41 K CB -0.618 31.388 32.500 -0.825 0.000 0.733 41 K HN 0.276 nan 8.250 nan 0.000 0.441 42 G N 0.199 108.967 108.800 -0.054 0.000 2.712 42 G HA2 -0.170 3.791 3.960 0.001 0.000 0.686 42 G HA3 -0.170 3.791 3.960 0.001 0.000 0.686 42 G C 0.347 175.261 174.900 0.024 0.000 1.181 42 G CA -0.358 44.762 45.100 0.034 0.000 0.762 42 G HN 0.159 nan 8.290 nan 0.000 0.641 43 L N 0.551 121.780 121.223 0.010 0.000 2.456 43 L HA 0.001 4.341 4.340 0.001 0.000 0.224 43 L C 2.453 179.308 176.870 -0.025 0.000 1.148 43 L CA 1.395 56.219 54.840 -0.027 0.000 0.825 43 L CB -0.493 41.508 42.059 -0.096 0.000 0.937 43 L HN 0.725 nan 8.230 nan 0.000 0.450 44 V N -4.741 115.164 119.914 -0.016 0.000 3.542 44 V HA 0.102 4.223 4.120 0.001 0.000 0.296 44 V C 2.140 178.224 176.094 -0.016 0.000 1.364 44 V CA 0.317 62.609 62.300 -0.014 0.000 1.118 44 V CB -0.268 31.556 31.823 0.002 0.000 0.972 44 V HN 0.422 nan 8.190 nan 0.000 0.430 45 S N 3.048 118.729 115.700 -0.032 0.000 2.433 45 S HA -0.515 3.956 4.470 0.001 0.000 0.270 45 S C 1.936 176.531 174.600 -0.009 0.000 1.068 45 S CA 2.814 60.995 58.200 -0.031 0.000 1.375 45 S CB -1.397 61.758 63.200 -0.076 0.000 1.255 45 S HN 0.878 nan 8.310 nan 0.000 0.442 46 Q N 0.791 120.574 119.800 -0.028 0.000 2.078 46 Q HA -0.385 3.956 4.340 0.001 0.000 0.222 46 Q C 2.176 178.191 176.000 0.025 0.000 1.073 46 Q CA 2.032 57.826 55.803 -0.015 0.000 0.926 46 Q CB -1.105 27.612 28.738 -0.035 0.000 1.054 46 Q HN 0.642 nan 8.270 nan 0.000 0.450 47 Q N 0.604 120.418 119.800 0.023 0.000 2.156 47 Q HA -0.165 4.176 4.340 0.001 0.000 0.211 47 Q C 2.292 178.336 176.000 0.074 0.000 0.995 47 Q CA 1.889 57.721 55.803 0.048 0.000 0.877 47 Q CB -0.388 28.366 28.738 0.026 0.000 0.920 47 Q HN 0.542 nan 8.270 nan 0.000 0.416 48 L N 0.518 121.772 121.223 0.051 0.000 1.947 48 L HA -0.183 4.157 4.340 0.001 0.000 0.211 48 L C 2.060 178.998 176.870 0.114 0.000 1.098 48 L CA 1.085 55.967 54.840 0.070 0.000 0.767 48 L CB -0.884 41.197 42.059 0.036 0.000 0.891 48 L HN 0.108 nan 8.230 nan 0.000 0.436 49 D N -0.093 120.353 120.400 0.076 0.000 2.242 49 D HA -0.288 4.352 4.640 0.001 0.000 0.190 49 D C 2.231 178.581 176.300 0.084 0.000 1.012 49 D CA 2.101 56.142 54.000 0.069 0.000 0.875 49 D CB -0.346 40.492 40.800 0.063 0.000 0.922 49 D HN 0.257 nan 8.370 nan 0.000 0.448 50 S N -1.061 114.707 115.700 0.114 0.000 2.399 50 S HA -0.153 4.318 4.470 0.001 0.000 0.231 50 S C 1.715 176.449 174.600 0.223 0.000 1.022 50 S CA 0.548 58.832 58.200 0.141 0.000 0.983 50 S CB -0.306 62.975 63.200 0.135 0.000 0.803 50 S HN 0.230 nan 8.310 nan 0.000 0.480 51 F N 3.076 123.083 119.950 0.095 0.000 2.128 51 F HA 0.037 4.564 4.527 0.001 0.000 0.295 51 F C 2.066 177.953 175.800 0.146 0.000 1.100 51 F CA 1.491 59.578 58.000 0.146 0.000 1.260 51 F CB -0.837 38.210 39.000 0.078 0.000 1.009 51 F HN 0.210 nan 8.300 nan 0.000 0.476 52 N N 0.573 119.303 118.700 0.050 0.000 2.021 52 N HA -0.293 4.447 4.740 0.001 0.000 0.198 52 N C 1.860 177.271 175.510 -0.165 0.000 1.041 52 N CA 1.852 54.847 53.050 -0.093 0.000 0.862 52 N CB -1.019 37.449 38.487 -0.032 0.000 1.048 52 N HN 0.347 nan 8.380 nan 0.000 0.427 53 Q N 0.078 119.804 119.800 -0.124 0.000 2.297 53 Q HA -0.082 4.258 4.340 0.001 0.000 0.208 53 Q C 1.640 177.579 176.000 -0.101 0.000 0.981 53 Q CA 1.011 56.691 55.803 -0.205 0.000 0.876 53 Q CB -0.387 28.275 28.738 -0.127 0.000 0.921 53 Q HN 0.455 nan 8.270 nan 0.000 0.446 54 F N -1.553 118.296 119.950 -0.169 0.000 2.270 54 F HA 0.037 4.564 4.527 0.001 0.000 0.295 54 F C 1.452 177.138 175.800 -0.190 0.000 1.087 54 F CA 0.657 58.579 58.000 -0.130 0.000 1.365 54 F CB -0.105 38.835 39.000 -0.101 0.000 1.056 54 F HN -0.055 nan 8.300 nan 0.000 0.506 55 V N 0.844 120.494 119.914 -0.440 0.000 2.231 55 V HA -0.227 3.893 4.120 0.001 0.000 0.240 55 V C 2.168 178.077 176.094 -0.308 0.000 1.039 55 V CA 2.121 64.133 62.300 -0.480 0.000 0.998 55 V CB -0.708 30.848 31.823 -0.445 0.000 0.639 55 V HN 0.222 nan 8.190 nan 0.000 0.451 56 D N -0.745 119.547 120.400 -0.180 0.000 2.156 56 D HA -0.207 4.433 4.640 0.001 0.000 0.190 56 D C 2.029 178.440 176.300 0.185 0.000 0.998 56 D CA 2.252 56.262 54.000 0.018 0.000 0.842 56 D CB -0.276 40.571 40.800 0.078 0.000 0.974 56 D HN 0.442 nan 8.370 nan 0.000 0.447 57 Y N 0.873 121.081 120.300 -0.154 0.000 2.226 57 Y HA 0.016 4.567 4.550 0.001 0.000 0.275 57 Y C 2.866 178.661 175.900 -0.175 0.000 1.087 57 Y CA 0.523 58.545 58.100 -0.130 0.000 1.086 57 Y CB -1.355 37.061 38.460 -0.073 0.000 1.026 57 Y HN -0.085 nan 8.280 nan 0.000 0.484 58 T N 1.730 116.299 114.554 0.024 0.000 2.736 58 T HA -0.275 4.076 4.350 0.001 0.000 0.265 58 T C 1.994 176.545 174.700 -0.249 0.000 1.031 58 T CA 1.988 64.039 62.100 -0.082 0.000 1.155 58 T CB -0.779 68.076 68.868 -0.021 0.000 0.849 58 T HN 0.123 nan 8.240 nan 0.000 0.471 59 L N 0.543 121.483 121.223 -0.470 0.000 2.046 59 L HA -0.048 4.293 4.340 0.001 0.000 0.208 59 L C 2.550 179.298 176.870 -0.202 0.000 1.077 59 L CA 1.782 56.360 54.840 -0.436 0.000 0.747 59 L CB -0.713 41.047 42.059 -0.497 0.000 0.896 59 L HN 0.174 nan 8.230 nan 0.000 0.432 60 Q N -0.112 119.589 119.800 -0.165 0.000 1.967 60 Q HA -0.225 4.115 4.340 0.001 0.000 0.202 60 Q C 1.763 177.696 176.000 -0.111 0.000 0.985 60 Q CA 2.273 58.000 55.803 -0.127 0.000 0.839 60 Q CB -0.398 28.274 28.738 -0.110 0.000 0.906 60 Q HN 0.497 nan 8.270 nan 0.000 0.423 61 D N -0.388 119.961 120.400 -0.084 0.000 2.280 61 D HA -0.180 4.460 4.640 0.001 0.000 0.206 61 D C 1.451 177.712 176.300 -0.066 0.000 0.988 61 D CA 1.236 55.201 54.000 -0.058 0.000 0.886 61 D CB -0.045 40.739 40.800 -0.027 0.000 0.914 61 D HN 0.390 nan 8.370 nan 0.000 0.473 62 I N -0.557 119.950 120.570 -0.105 0.000 2.339 62 I HA -0.105 4.065 4.170 0.001 0.000 0.245 62 I C 1.977 178.015 176.117 -0.132 0.000 1.096 62 I CA 0.176 61.400 61.300 -0.126 0.000 1.408 62 I CB -0.001 37.880 38.000 -0.198 0.000 1.092 62 I HN -0.050 nan 8.210 nan 0.000 0.423 63 I N 0.572 120.993 120.570 -0.248 0.000 2.530 63 I HA -0.221 3.949 4.170 0.001 0.000 0.257 63 I C 0.744 176.863 176.117 0.005 0.000 1.179 63 I CA 1.053 62.203 61.300 -0.250 0.000 1.440 63 I CB -0.209 37.570 38.000 -0.367 0.000 1.087 63 I HN 0.238 nan 8.210 nan 0.000 0.440 64 C N 1.837 121.125 119.300 -0.019 0.000 2.250 64 C HA 0.428 4.889 4.460 0.001 0.000 0.319 64 C C 0.948 175.933 174.990 -0.009 0.000 1.124 64 C CA -0.138 58.887 59.018 0.011 0.000 1.527 64 C CB -1.238 26.504 27.740 0.005 0.000 2.001 64 C HN 0.658 nan 8.230 nan 0.000 0.435 65 E N 1.400 121.592 120.200 -0.013 0.000 3.301 65 E HA 0.019 4.370 4.350 0.001 0.000 0.279 65 E C 0.011 176.580 176.600 -0.051 0.000 1.174 65 E CA -0.109 56.266 56.400 -0.041 0.000 1.918 65 E CB -0.317 29.346 29.700 -0.062 0.000 2.084 65 E HN 0.390 nan 8.360 nan 0.000 0.951 66 D N 2.204 122.550 120.400 -0.090 0.000 2.463 66 D HA 0.090 4.730 4.640 0.001 0.000 0.224 66 D C 1.187 177.416 176.300 -0.118 0.000 1.174 66 D CA 0.616 54.554 54.000 -0.103 0.000 0.829 66 D CB 0.713 41.428 40.800 -0.141 0.000 0.993 66 D HN 0.231 nan 8.370 nan 0.000 0.497 67 S N 1.056 116.710 115.700 -0.076 0.000 2.426 67 S HA -0.172 4.298 4.470 0.001 0.000 0.220 67 S C 1.165 175.859 174.600 0.157 0.000 1.040 67 S CA 0.843 59.020 58.200 -0.040 0.000 1.094 67 S CB -1.689 61.568 63.200 0.095 0.000 1.072 67 S HN 0.299 nan 8.310 nan 0.000 0.415 68 T N 3.265 117.957 114.554 0.229 0.000 2.902 68 T HA 0.225 4.575 4.350 0.001 0.000 0.317 68 T C 0.060 174.855 174.700 0.158 0.000 1.064 68 T CA 0.592 62.819 62.100 0.212 0.000 1.130 68 T CB -0.231 68.709 68.868 0.120 0.000 1.073 68 T HN 0.319 nan 8.240 nan 0.000 0.524 69 L N 1.306 122.634 121.223 0.174 0.000 2.183 69 L HA 0.681 5.021 4.340 0.001 0.000 0.253 69 L C 0.099 177.085 176.870 0.193 0.000 1.048 69 L CA -1.292 53.676 54.840 0.212 0.000 0.890 69 L CB 1.352 43.604 42.059 0.323 0.000 1.476 69 L HN 0.523 nan 8.230 nan 0.000 0.455 91 S N 3.358 118.915 115.700 -0.240 0.000 2.709 91 S HA 0.894 5.364 4.470 0.001 0.000 0.302 91 S C -1.220 173.133 174.600 -0.411 0.000 1.127 91 S CA -0.792 57.316 58.200 -0.152 0.000 0.905 91 S CB 2.362 65.547 63.200 -0.025 0.000 1.151 91 S HN 0.353 nan 8.310 nan 0.000 0.510 92 F N -0.148 119.841 119.950 0.064 0.000 2.547 92 F HA 0.747 5.274 4.527 0.001 0.000 0.316 92 F C 0.821 176.646 175.800 0.042 0.000 1.121 92 F CA -0.447 57.594 58.000 0.069 0.000 0.911 92 F CB 2.160 41.225 39.000 0.108 0.000 1.179 92 F HN 0.996 nan 8.300 nan 0.000 0.443 93 G N 1.459 110.376 108.800 0.194 0.000 3.019 93 G HA2 0.315 4.275 3.960 0.001 0.000 0.152 93 G HA3 0.315 4.275 3.960 0.001 0.000 0.152 93 G C -0.597 174.359 174.900 0.093 0.000 1.320 93 G CA -0.804 44.365 45.100 0.114 0.000 1.013 93 G HN 0.540 nan 8.290 nan 0.000 0.593 94 K N -0.693 119.735 120.400 0.045 0.000 2.457 94 K HA 0.152 4.472 4.320 0.001 0.000 0.269 94 K C -0.776 175.831 176.600 0.012 0.000 0.969 94 K CA 0.236 56.502 56.287 -0.035 0.000 0.921 94 K CB 0.216 32.638 32.500 -0.130 0.000 0.940 94 K HN 0.318 nan 8.250 nan 0.000 0.517 95 I N 2.165 122.677 120.570 -0.096 0.000 2.533 95 I HA 0.249 4.420 4.170 0.001 0.000 0.290 95 I C -1.616 174.451 176.117 -0.083 0.000 1.056 95 I CA -0.957 60.355 61.300 0.019 0.000 1.057 95 I CB 1.031 39.024 38.000 -0.012 0.000 1.240 95 I HN 0.527 nan 8.210 nan 0.000 0.423 96 Y N 5.802 126.147 120.300 0.076 0.000 2.360 96 Y HA 0.513 5.063 4.550 0.001 0.000 0.337 96 Y C -0.148 175.741 175.900 -0.019 0.000 1.039 96 Y CA -0.820 57.313 58.100 0.056 0.000 1.109 96 Y CB 1.854 40.401 38.460 0.144 0.000 1.201 96 Y HN 0.157 nan 8.280 nan 0.000 0.458 97 V N 3.450 123.401 119.914 0.062 0.000 2.293 97 V HA 0.249 4.369 4.120 0.001 0.000 0.275 97 V C -0.079 175.982 176.094 -0.055 0.000 1.021 97 V CA -0.907 61.368 62.300 -0.040 0.000 0.815 97 V CB 0.814 32.587 31.823 -0.084 0.000 1.025 97 V HN 0.894 nan 8.190 nan 0.000 0.448 98 T N 2.452 116.941 114.554 -0.109 0.000 2.856 98 T HA 0.436 4.787 4.350 0.001 0.000 0.292 98 T C 0.014 174.630 174.700 -0.141 0.000 0.980 98 T CA -0.765 61.264 62.100 -0.119 0.000 1.091 98 T CB 0.802 69.564 68.868 -0.177 0.000 0.936 98 T HN 0.518 nan 8.240 nan 0.000 0.503 99 K N 3.267 123.569 120.400 -0.163 0.000 2.380 99 K HA 0.172 4.492 4.320 0.001 0.000 0.267 99 K C -2.325 174.199 176.600 -0.126 0.000 0.990 99 K CA -1.282 54.861 56.287 -0.240 0.000 0.946 99 K CB -0.226 31.997 32.500 -0.462 0.000 0.937 99 K HN 0.446 nan 8.250 nan 0.000 0.491 100 P HA -0.179 nan 4.420 nan 0.000 0.265 100 P C -0.630 176.685 177.300 0.025 0.000 1.151 100 P CA 1.269 64.323 63.100 -0.077 0.000 0.755 100 P CB 0.407 32.020 31.700 -0.145 0.000 0.756 101 M N 1.041 120.637 119.600 -0.006 0.000 2.755 101 M HA 0.500 4.980 4.480 0.001 0.000 0.273 101 M C -1.324 174.998 176.300 0.036 0.000 1.278 101 M CA -1.012 54.299 55.300 0.018 0.000 0.819 101 M CB 2.426 35.023 32.600 -0.005 0.000 1.694 101 M HN -0.170 nan 8.290 nan 0.000 0.460 102 V N 1.533 121.481 119.914 0.056 0.000 2.532 102 V HA 0.287 4.407 4.120 0.001 0.000 0.294 102 V C -1.259 174.865 176.094 0.050 0.000 1.036 102 V CA -0.719 61.620 62.300 0.065 0.000 0.876 102 V CB 1.702 33.589 31.823 0.106 0.000 1.012 102 V HN 0.856 nan 8.190 nan 0.000 0.432 103 N N 4.233 122.947 118.700 0.023 0.000 2.500 103 N HA 0.402 5.143 4.740 0.001 0.000 0.236 103 N C -0.247 175.270 175.510 0.011 0.000 1.022 103 N CA -0.374 52.678 53.050 0.004 0.000 0.935 103 N CB 0.752 39.221 38.487 -0.031 0.000 1.147 103 N HN 0.850 nan 8.380 nan 0.000 0.512 104 E N 1.018 121.227 120.200 0.015 0.000 2.299 104 E HA 0.480 4.830 4.350 0.001 0.000 0.265 104 E C -0.720 175.886 176.600 0.009 0.000 0.911 104 E CA -1.141 55.265 56.400 0.011 0.000 0.789 104 E CB 1.032 30.739 29.700 0.012 0.000 1.246 104 E HN 0.465 nan 8.360 nan 0.000 0.427 105 S N 0.745 116.450 115.700 0.007 0.000 2.603 105 S HA 0.110 4.580 4.470 0.001 0.000 0.268 105 S C 0.275 174.880 174.600 0.009 0.000 1.317 105 S CA -0.459 57.746 58.200 0.008 0.000 1.012 105 S CB 0.374 63.580 63.200 0.009 0.000 0.926 105 S HN 0.742 nan 8.310 nan 0.000 0.539 106 D N 0.100 120.505 120.400 0.010 0.000 2.772 106 D HA -0.103 4.538 4.640 0.001 0.000 0.233 106 D C 0.256 176.562 176.300 0.010 0.000 1.143 106 D CA 1.750 55.756 54.000 0.010 0.000 0.700 106 D CB -1.378 39.429 40.800 0.011 0.000 1.076 106 D HN 1.075 nan 8.370 nan 0.000 0.430 107 G N -2.774 106.032 108.800 0.011 0.000 2.430 107 G HA2 0.462 4.422 3.960 0.001 0.000 0.300 107 G HA3 0.462 4.422 3.960 0.001 0.000 0.300 107 G C 0.259 175.170 174.900 0.019 0.000 1.330 107 G CA -0.113 44.995 45.100 0.014 0.000 0.813 107 G HN 0.083 nan 8.290 nan 0.000 0.487 108 V N -0.584 119.348 119.914 0.030 0.000 5.415 108 V HA 0.581 4.702 4.120 0.001 0.000 0.236 108 V C 0.880 177.000 176.094 0.043 0.000 1.312 108 V CA 0.516 62.838 62.300 0.037 0.000 0.815 108 V CB 0.324 32.178 31.823 0.053 0.000 1.250 108 V HN 0.805 nan 8.190 nan 0.000 0.345 109 T N -0.153 114.439 114.554 0.062 0.000 3.160 109 T HA 0.302 4.652 4.350 0.001 0.000 0.344 109 T C -0.818 173.946 174.700 0.107 0.000 0.981 109 T CA -0.303 61.836 62.100 0.065 0.000 1.170 109 T CB 0.002 68.886 68.868 0.027 0.000 1.016 109 T HN 0.663 nan 8.240 nan 0.000 0.492 110 H N 2.363 121.452 119.070 0.032 0.000 2.771 110 H HA 0.547 5.103 4.556 0.001 0.000 0.364 110 H C 0.412 175.783 175.328 0.071 0.000 1.133 110 H CA 0.094 56.170 56.048 0.048 0.000 1.423 110 H CB 0.655 30.442 29.762 0.042 0.000 1.425 110 H HN 0.709 nan 8.280 nan 0.000 0.606 111 A N 5.593 128.092 122.820 -0.536 0.000 2.376 111 A HA 0.308 4.629 4.320 0.001 0.000 0.298 111 A C -0.511 176.910 177.584 -0.273 0.000 1.271 111 A CA -0.529 51.346 52.037 -0.269 0.000 0.926 111 A CB -0.634 18.285 19.000 -0.134 0.000 1.141 111 A HN 0.615 nan 8.150 nan 0.000 0.539 112 L N 3.255 124.448 121.223 -0.050 0.000 2.395 112 L HA 0.577 4.917 4.340 0.001 0.000 0.269 112 L C -0.862 175.967 176.870 -0.069 0.000 1.133 112 L CA 0.272 55.156 54.840 0.072 0.000 0.812 112 L CB 0.271 42.403 42.059 0.121 0.000 1.125 112 L HN 0.606 nan 8.230 nan 0.000 0.452 113 Y N 4.169 124.417 120.300 -0.086 0.000 2.605 113 Y HA 0.483 5.033 4.550 0.000 0.000 0.343 113 Y C -1.797 174.046 175.900 -0.095 0.000 1.036 113 Y CA -1.654 56.361 58.100 -0.142 0.000 1.065 113 Y CB 1.251 39.586 38.460 -0.209 0.000 1.288 113 Y HN 0.516 nan 8.280 nan 0.000 0.481 114 P HA -0.253 nan 4.420 nan 0.000 0.199 114 P C 1.108 178.328 177.300 -0.133 0.000 1.118 114 P CA 1.792 64.614 63.100 -0.464 0.000 0.913 114 P CB 0.268 31.652 31.700 -0.526 0.000 0.738 115 Q N 0.320 120.082 119.800 -0.064 0.000 2.388 115 Q HA -0.247 4.093 4.340 0.001 0.000 0.216 115 Q C 2.130 178.144 176.000 0.024 0.000 0.997 115 Q CA 2.227 58.026 55.803 -0.005 0.000 0.923 115 Q CB -0.945 27.793 28.738 -0.000 0.000 0.922 115 Q HN 0.472 nan 8.270 nan 0.000 0.435 116 E N -1.971 118.254 120.200 0.042 0.000 2.190 116 E HA -0.011 4.339 4.350 0.001 0.000 0.191 116 E C 1.660 178.303 176.600 0.072 0.000 0.978 116 E CA 0.601 57.039 56.400 0.063 0.000 0.839 116 E CB -0.123 29.631 29.700 0.089 0.000 0.787 116 E HN 0.460 nan 8.360 nan 0.000 0.473 117 A N 1.423 124.285 122.820 0.070 0.000 1.969 117 A HA -0.129 4.192 4.320 0.001 0.000 0.218 117 A C 2.083 179.707 177.584 0.067 0.000 1.169 117 A CA 0.911 52.994 52.037 0.077 0.000 0.635 117 A CB -0.334 18.730 19.000 0.106 0.000 0.810 117 A HN 0.131 nan 8.150 nan 0.000 0.445 118 R N -0.451 120.084 120.500 0.058 0.000 2.081 118 R HA -0.054 4.287 4.340 0.001 0.000 0.235 118 R C 1.952 178.316 176.300 0.106 0.000 1.131 118 R CA 1.457 57.602 56.100 0.075 0.000 0.960 118 R CB -0.503 29.835 30.300 0.064 0.000 0.856 118 R HN 0.516 nan 8.270 nan 0.000 0.436 119 L N -0.000 121.289 121.223 0.110 0.000 2.095 119 L HA -0.060 4.280 4.340 0.001 0.000 0.204 119 L C 1.996 179.017 176.870 0.252 0.000 1.080 119 L CA 1.141 56.074 54.840 0.155 0.000 0.759 119 L CB -0.272 41.859 42.059 0.120 0.000 0.914 119 L HN 0.088 nan 8.230 nan 0.000 0.439 120 R N 0.462 121.056 120.500 0.157 0.000 2.335 120 R HA 0.078 4.418 4.340 0.001 0.000 0.223 120 R C -0.209 175.999 176.300 -0.154 0.000 0.940 120 R CA -0.075 56.062 56.100 0.061 0.000 1.086 120 R CB -0.408 29.895 30.300 0.006 0.000 1.073 120 R HN 0.400 nan 8.270 nan 0.000 0.504 121 N N 1.233 119.939 118.700 0.009 0.000 2.688 121 N HA -0.204 4.537 4.740 0.001 0.000 0.258 121 N C -0.421 175.040 175.510 -0.083 0.000 1.016 121 N CA -0.149 52.883 53.050 -0.030 0.000 0.747 121 N CB -0.609 37.840 38.487 -0.064 0.000 0.895 121 N HN 0.224 nan 8.380 nan 0.000 0.543 122 L N -0.720 120.495 121.223 -0.014 0.000 2.884 122 L HA 0.536 4.876 4.340 0.001 0.000 0.199 122 L C 0.778 177.680 176.870 0.054 0.000 1.828 122 L CA -0.415 54.429 54.840 0.007 0.000 2.124 122 L CB 0.659 42.742 42.059 0.040 0.000 2.736 122 L HN -0.009 nan 8.230 nan 0.000 0.592 123 T N -0.673 113.933 114.554 0.087 0.000 3.176 123 T HA 0.139 4.489 4.350 0.001 0.000 0.337 123 T C -0.975 173.820 174.700 0.159 0.000 0.957 123 T CA -0.334 61.835 62.100 0.115 0.000 1.092 123 T CB 0.124 69.040 68.868 0.080 0.000 1.018 123 T HN 0.247 nan 8.240 nan 0.000 0.473 124 Y N 4.608 124.933 120.300 0.043 0.000 2.790 124 Y HA 0.243 4.793 4.550 0.001 0.000 0.348 124 Y C 1.075 176.996 175.900 0.035 0.000 1.183 124 Y CA -0.345 57.770 58.100 0.025 0.000 2.002 124 Y CB -0.866 37.588 38.460 -0.009 0.000 2.086 124 Y HN 0.649 nan 8.280 nan 0.000 0.412 125 S N 0.437 116.111 115.700 -0.043 0.000 2.496 125 S HA 0.895 5.365 4.470 0.001 0.000 0.260 125 S C -0.024 174.493 174.600 -0.138 0.000 1.122 125 S CA -0.074 58.088 58.200 -0.062 0.000 1.019 125 S CB 1.013 64.224 63.200 0.018 0.000 1.226 125 S HN 0.552 nan 8.310 nan 0.000 0.502 126 S N -1.721 113.934 115.700 -0.075 0.000 2.611 126 S HA 0.614 5.084 4.470 0.001 0.000 0.270 126 S C -0.354 174.199 174.600 -0.079 0.000 1.131 126 S CA -0.724 57.418 58.200 -0.096 0.000 0.826 126 S CB 0.375 63.496 63.200 -0.131 0.000 1.095 126 S HN 1.376 nan 8.310 nan 0.000 0.461 127 G N -0.043 108.677 108.800 -0.132 0.000 2.432 127 G HA2 0.551 4.512 3.960 0.001 0.000 0.257 127 G HA3 0.551 4.512 3.960 0.001 0.000 0.257 127 G C -1.268 173.458 174.900 -0.290 0.000 1.238 127 G CA -0.438 44.548 45.100 -0.190 0.000 0.838 127 G HN 0.563 nan 8.290 nan 0.000 0.547 128 L N 2.451 123.541 121.223 -0.223 0.000 2.318 128 L HA 0.466 4.806 4.340 0.001 0.000 0.277 128 L C -0.604 176.325 176.870 0.100 0.000 1.008 128 L CA -0.537 54.225 54.840 -0.129 0.000 0.846 128 L CB 0.487 42.459 42.059 -0.145 0.000 1.220 128 L HN 0.447 nan 8.230 nan 0.000 0.423 129 F N 3.380 123.407 119.950 0.128 0.000 2.458 129 F HA 0.698 5.225 4.527 0.001 0.000 0.336 129 F C -0.044 175.879 175.800 0.206 0.000 1.114 129 F CA -1.214 56.881 58.000 0.157 0.000 0.987 129 F CB 2.005 41.079 39.000 0.124 0.000 1.130 129 F HN -0.001 nan 8.300 nan 0.000 0.458 130 V N 2.213 122.345 119.914 0.363 0.000 2.709 130 V HA 0.165 4.285 4.120 0.001 0.000 0.308 130 V C -0.636 175.605 176.094 0.244 0.000 1.062 130 V CA -1.095 61.382 62.300 0.296 0.000 0.901 130 V CB 2.137 34.103 31.823 0.238 0.000 1.003 130 V HN 0.577 nan 8.190 nan 0.000 0.425 131 D N 3.448 123.990 120.400 0.237 0.000 2.398 131 D HA 0.168 4.809 4.640 0.001 0.000 0.250 131 D C 0.039 176.382 176.300 0.072 0.000 1.287 131 D CA 0.335 54.420 54.000 0.142 0.000 0.992 131 D CB 1.296 42.192 40.800 0.160 0.000 1.071 131 D HN 0.237 nan 8.370 nan 0.000 0.514 132 V N 3.093 123.011 119.914 0.006 0.000 2.732 132 V HA 0.156 4.276 4.120 0.001 0.000 0.297 132 V C 0.678 176.690 176.094 -0.137 0.000 1.060 132 V CA -0.247 61.962 62.300 -0.153 0.000 1.038 132 V CB 1.191 32.918 31.823 -0.160 0.000 1.003 132 V HN 0.253 nan 8.190 nan 0.000 0.481 133 K N 4.134 124.414 120.400 -0.200 0.000 2.426 133 K HA 0.491 4.812 4.320 0.001 0.000 0.254 133 K C -0.562 175.968 176.600 -0.118 0.000 0.936 133 K CA -0.834 55.381 56.287 -0.120 0.000 0.801 133 K CB 2.129 34.578 32.500 -0.085 0.000 1.139 133 K HN 0.745 nan 8.250 nan 0.000 0.424 165 V N 2.519 122.304 119.914 -0.216 0.000 2.769 165 V HA 0.465 4.585 4.120 0.001 0.000 0.312 165 V C -0.694 175.461 176.094 0.100 0.000 1.061 165 V CA -0.839 61.402 62.300 -0.098 0.000 0.931 165 V CB 1.501 33.347 31.823 0.039 0.000 1.010 165 V HN 0.217 nan 8.190 nan 0.000 0.433 166 F N 5.118 125.100 119.950 0.053 0.000 2.427 166 F HA 0.625 5.152 4.527 0.001 0.000 0.352 166 F C 0.109 176.067 175.800 0.262 0.000 1.100 166 F CA -0.899 57.336 58.000 0.392 0.000 1.191 166 F CB 0.574 39.777 39.000 0.339 0.000 1.128 166 F HN 0.327 nan 8.300 nan 0.000 0.533 167 I N 6.644 126.986 120.570 -0.381 0.000 2.867 167 I HA 0.358 4.529 4.170 0.001 0.000 0.282 167 I C 0.306 176.084 176.117 -0.564 0.000 1.437 167 I CA -0.381 60.702 61.300 -0.363 0.000 0.918 167 I CB 0.405 38.374 38.000 -0.052 0.000 1.612 167 I HN 0.912 nan 8.210 nan 0.000 0.592 168 G N 3.366 111.562 108.800 -1.008 0.000 2.806 168 G HA2 -0.216 3.745 3.960 0.001 0.000 0.236 168 G HA3 -0.216 3.745 3.960 0.001 0.000 0.236 168 G C -0.497 174.178 174.900 -0.374 0.000 1.387 168 G CA -0.581 44.172 45.100 -0.579 0.000 0.884 168 G HN 0.548 nan 8.290 nan 0.000 0.560 169 R N -1.317 119.102 120.500 -0.135 0.000 2.686 169 R HA 0.597 4.938 4.340 0.001 0.000 0.286 169 R C -0.679 175.569 176.300 -0.087 0.000 0.969 169 R CA -0.930 55.137 56.100 -0.054 0.000 0.898 169 R CB 1.928 32.257 30.300 0.049 0.000 1.183 169 R HN 0.609 nan 8.270 nan 0.000 0.456 170 L N 4.874 126.048 121.223 -0.081 0.000 2.272 170 L HA 0.422 4.762 4.340 0.001 0.000 0.284 170 L C -2.320 174.595 176.870 0.076 0.000 1.045 170 L CA -2.040 52.776 54.840 -0.040 0.000 0.842 170 L CB 0.974 43.002 42.059 -0.051 0.000 1.224 170 L HN 0.440 nan 8.230 nan 0.000 0.430 171 P HA -0.023 nan 4.420 nan 0.000 0.258 171 P C -0.123 177.360 177.300 0.305 0.000 1.187 171 P CA 0.642 63.862 63.100 0.199 0.000 0.767 171 P CB 0.191 32.023 31.700 0.220 0.000 0.770 172 I N 3.752 124.362 120.570 0.067 0.000 2.662 172 I HA 0.244 4.414 4.170 0.001 0.000 0.291 172 I C 1.258 176.967 176.117 -0.680 0.000 1.046 172 I CA -0.704 60.528 61.300 -0.114 0.000 1.361 172 I CB 0.799 38.691 38.000 -0.180 0.000 1.429 172 I HN 0.262 nan 8.210 nan 0.000 0.558 173 M N 4.882 123.658 119.600 -1.373 0.000 2.264 173 M HA 0.331 4.812 4.480 0.001 0.000 0.352 173 M C -1.022 174.863 176.300 -0.692 0.000 1.173 173 M CA -0.849 53.446 55.300 -1.675 0.000 1.075 173 M CB 1.180 32.529 32.600 -2.084 0.000 1.621 173 M HN 0.296 nan 8.290 nan 0.000 0.457 174 L N 4.623 125.457 121.223 -0.647 0.000 2.485 174 L HA 0.135 4.475 4.340 0.001 0.000 0.275 174 L C 1.013 177.691 176.870 -0.320 0.000 1.207 174 L CA 0.982 55.542 54.840 -0.467 0.000 0.855 174 L CB 0.209 41.767 42.059 -0.836 0.000 1.114 174 L HN 0.935 nan 8.230 nan 0.000 0.485 175 R N -0.211 120.195 120.500 -0.156 0.000 3.989 175 R HA -0.180 4.161 4.340 0.001 0.000 0.377 175 R C 0.137 176.414 176.300 -0.039 0.000 1.158 175 R CA 1.037 57.092 56.100 -0.075 0.000 1.035 175 R CB -1.844 28.411 30.300 -0.075 0.000 1.557 175 R HN 0.887 nan 8.270 nan 0.000 0.551 176 S N -1.263 114.416 115.700 -0.035 0.000 2.686 176 S HA 0.331 4.801 4.470 0.001 0.000 0.270 176 S C 1.194 175.823 174.600 0.049 0.000 1.194 176 S CA -0.368 57.864 58.200 0.054 0.000 0.990 176 S CB 1.287 64.605 63.200 0.197 0.000 1.029 176 S HN 0.258 nan 8.310 nan 0.000 0.560 177 K N 0.553 120.986 120.400 0.055 0.000 2.113 177 K HA -0.152 4.169 4.320 0.001 0.000 0.208 177 K C 1.389 177.966 176.600 -0.038 0.000 1.047 177 K CA 1.961 58.250 56.287 0.002 0.000 0.928 177 K CB -0.512 31.979 32.500 -0.015 0.000 0.716 177 K HN 0.548 nan 8.250 nan 0.000 0.446 178 N N -0.197 118.487 118.700 -0.026 0.000 2.467 178 N HA -0.034 4.707 4.740 0.001 0.000 0.184 178 N C 0.063 175.480 175.510 -0.154 0.000 1.106 178 N CA 0.200 53.185 53.050 -0.108 0.000 0.892 178 N CB 0.116 38.557 38.487 -0.077 0.000 0.969 178 N HN 0.151 nan 8.380 nan 0.000 0.454 179 C N 0.688 119.970 119.300 -0.030 0.000 2.514 179 C HA 0.153 4.614 4.460 0.001 0.000 0.392 179 C C 1.516 176.543 174.990 0.060 0.000 1.294 179 C CA -0.723 58.364 59.018 0.115 0.000 1.957 179 C CB -0.956 26.876 27.740 0.153 0.000 2.541 179 C HN 0.471 nan 8.230 nan 0.000 0.569 180 Y N 3.491 123.757 120.300 -0.056 0.000 2.256 180 Y HA -0.108 4.442 4.550 0.000 0.000 0.288 180 Y C 2.060 177.947 175.900 -0.022 0.000 1.155 180 Y CA 1.489 59.528 58.100 -0.101 0.000 1.203 180 Y CB -0.689 37.585 38.460 -0.311 0.000 0.980 180 Y HN 0.658 nan 8.280 nan 0.000 0.530 181 L N -0.372 120.949 121.223 0.163 0.000 2.131 181 L HA -0.228 4.112 4.340 0.001 0.000 0.210 181 L C 2.571 179.478 176.870 0.062 0.000 1.092 181 L CA 1.439 56.337 54.840 0.098 0.000 0.759 181 L CB -0.891 41.197 42.059 0.049 0.000 0.903 181 L HN 0.324 nan 8.230 nan 0.000 0.435 182 S N -0.219 115.507 115.700 0.043 0.000 2.370 182 S HA -0.256 4.215 4.470 0.001 0.000 0.226 182 S C 1.770 176.389 174.600 0.031 0.000 1.033 182 S CA 1.555 59.771 58.200 0.027 0.000 1.011 182 S CB -0.325 62.883 63.200 0.012 0.000 0.852 182 S HN 0.508 nan 8.310 nan 0.000 0.457 183 E N 1.840 122.060 120.200 0.032 0.000 2.051 183 E HA 0.312 4.662 4.350 0.001 0.000 0.189 183 E C 1.269 177.900 176.600 0.052 0.000 0.979 183 E CA 0.433 56.853 56.400 0.035 0.000 0.803 183 E CB -0.325 29.388 29.700 0.023 0.000 0.761 183 E HN 0.688 nan 8.360 nan 0.000 0.451 184 A N 1.241 124.107 122.820 0.077 0.000 2.567 184 A HA 0.081 4.401 4.320 0.001 0.000 0.236 184 A C 0.653 178.273 177.584 0.060 0.000 1.088 184 A CA 0.803 52.891 52.037 0.085 0.000 0.776 184 A CB -0.077 18.995 19.000 0.121 0.000 1.033 184 A HN 0.289 nan 8.150 nan 0.000 0.513 185 T N -1.689 112.898 114.554 0.054 0.000 2.841 185 T HA 0.528 4.879 4.350 0.001 0.000 0.276 185 T C 0.885 175.607 174.700 0.038 0.000 1.003 185 T CA 0.206 62.327 62.100 0.034 0.000 0.995 185 T CB 0.909 69.788 68.868 0.018 0.000 1.260 185 T HN 0.717 nan 8.240 nan 0.000 0.581 186 E N 0.954 121.161 120.200 0.012 0.000 1.998 186 E HA -0.264 4.086 4.350 0.001 0.000 0.221 186 E C 2.276 178.898 176.600 0.037 0.000 1.018 186 E CA 2.917 59.326 56.400 0.014 0.000 0.891 186 E CB -0.705 28.959 29.700 -0.060 0.000 0.807 186 E HN 0.767 nan 8.360 nan 0.000 0.523 187 S N 0.336 115.996 115.700 -0.066 0.000 2.400 187 S HA -0.317 4.153 4.470 0.001 0.000 0.234 187 S C 1.881 176.491 174.600 0.016 0.000 1.049 187 S CA 1.745 59.889 58.200 -0.092 0.000 1.039 187 S CB -0.732 62.410 63.200 -0.098 0.000 0.856 187 S HN 0.380 nan 8.310 nan 0.000 0.465 188 D N 1.637 122.061 120.400 0.040 0.000 2.106 188 D HA -0.081 4.560 4.640 0.001 0.000 0.191 188 D C 2.027 178.387 176.300 0.100 0.000 0.997 188 D CA 1.577 55.616 54.000 0.065 0.000 0.834 188 D CB -0.244 40.599 40.800 0.072 0.000 0.956 188 D HN 0.422 nan 8.370 nan 0.000 0.448 189 L N -0.169 121.132 121.223 0.129 0.000 1.955 189 L HA -0.250 4.090 4.340 0.001 0.000 0.213 189 L C 2.687 179.638 176.870 0.134 0.000 1.072 189 L CA 1.294 56.209 54.840 0.124 0.000 0.755 189 L CB -0.986 41.131 42.059 0.097 0.000 0.888 189 L HN 0.106 nan 8.230 nan 0.000 0.432 190 Y N 0.611 120.890 120.300 -0.036 0.000 2.133 190 Y HA -0.329 4.222 4.550 0.001 0.000 0.279 190 Y C 2.547 178.421 175.900 -0.043 0.000 1.209 190 Y CA 1.544 59.617 58.100 -0.045 0.000 1.152 190 Y CB -0.633 37.794 38.460 -0.056 0.000 0.961 190 Y HN 0.143 nan 8.280 nan 0.000 0.512 191 K N -0.267 120.208 120.400 0.125 0.000 2.504 191 K HA -0.043 4.277 4.320 0.001 0.000 0.195 191 K C 1.459 178.053 176.600 -0.011 0.000 1.036 191 K CA 0.660 56.970 56.287 0.038 0.000 0.984 191 K CB -0.156 32.354 32.500 0.016 0.000 0.788 191 K HN 0.358 nan 8.250 nan 0.000 0.488 192 L N -0.326 120.897 121.223 0.001 0.000 2.463 192 L HA 0.065 4.405 4.340 0.001 0.000 0.219 192 L C 0.792 177.642 176.870 -0.033 0.000 1.088 192 L CA 0.331 55.150 54.840 -0.035 0.000 0.849 192 L CB 0.177 42.259 42.059 0.038 0.000 1.012 192 L HN 0.053 nan 8.230 nan 0.000 0.468 193 K N -1.819 118.560 120.400 -0.034 0.000 3.576 193 K HA -0.136 4.184 4.320 0.001 0.000 0.266 193 K C 0.251 176.797 176.600 -0.090 0.000 0.969 193 K CA 0.659 56.908 56.287 -0.063 0.000 1.137 193 K CB -0.744 31.730 32.500 -0.045 0.000 1.294 193 K HN 0.113 nan 8.250 nan 0.000 0.536 194 E N 1.844 122.009 120.200 -0.059 0.000 2.376 194 E HA 0.006 4.356 4.350 0.001 0.000 0.266 194 E C -0.080 176.440 176.600 -0.132 0.000 1.009 194 E CA 0.188 56.554 56.400 -0.057 0.000 0.902 194 E CB 0.870 30.561 29.700 -0.016 0.000 0.972 194 E HN 0.285 nan 8.360 nan 0.000 0.439 195 C N 7.901 127.125 119.300 -0.126 0.000 2.648 195 C HA 0.129 4.590 4.460 0.001 0.000 0.419 195 C C -0.640 174.280 174.990 -0.118 0.000 1.352 195 C CA -1.603 57.295 59.018 -0.199 0.000 1.816 195 C CB 0.019 27.706 27.740 -0.090 0.000 2.598 195 C HN 0.625 nan 8.230 nan 0.000 0.598 196 P HA -0.175 nan 4.420 nan 0.000 0.213 196 P C 1.514 178.783 177.300 -0.051 0.000 1.170 196 P CA 1.921 64.945 63.100 -0.126 0.000 0.898 196 P CB -0.226 31.369 31.700 -0.175 0.000 0.787 197 F N 0.297 120.228 119.950 -0.032 0.000 2.257 197 F HA -0.194 4.334 4.527 0.001 0.000 0.302 197 F C 1.327 177.210 175.800 0.138 0.000 1.056 197 F CA 0.506 58.498 58.000 -0.013 0.000 1.353 197 F CB -0.982 37.916 39.000 -0.170 0.000 1.064 197 F HN 0.018 nan 8.300 nan 0.000 0.520 198 D N 0.354 120.931 120.400 0.295 0.000 2.449 198 D HA -0.060 4.580 4.640 0.001 0.000 0.236 198 D C 0.983 177.422 176.300 0.233 0.000 1.149 198 D CA 0.267 54.437 54.000 0.282 0.000 0.878 198 D CB 0.622 41.544 40.800 0.202 0.000 1.198 198 D HN 0.024 nan 8.370 nan 0.000 0.446 199 M N 1.392 121.125 119.600 0.221 0.000 2.306 199 M HA 0.324 4.804 4.480 0.001 0.000 0.292 199 M C 0.850 177.217 176.300 0.112 0.000 1.018 199 M CA 0.278 55.667 55.300 0.149 0.000 1.007 199 M CB -0.703 31.971 32.600 0.123 0.000 1.510 199 M HN 0.393 nan 8.290 nan 0.000 0.537 200 G N 1.730 110.645 108.800 0.192 0.000 2.606 200 G HA2 0.027 3.988 3.960 0.001 0.000 0.285 200 G HA3 0.027 3.988 3.960 0.001 0.000 0.285 200 G C 0.733 175.657 174.900 0.040 0.000 1.311 200 G CA 1.177 46.265 45.100 -0.020 0.000 0.922 200 G HN 1.785 nan 8.290 nan 0.000 0.559 201 G N -3.546 105.131 108.800 -0.204 0.000 2.184 201 G HA2 0.220 4.180 3.960 0.001 0.000 0.206 201 G HA3 0.220 4.180 3.960 0.001 0.000 0.206 201 G C 0.226 175.103 174.900 -0.039 0.000 0.995 201 G CA 1.120 46.165 45.100 -0.092 0.000 0.651 201 G HN 2.326 nan 8.290 nan 0.000 0.511 202 Y N -1.010 119.209 120.300 -0.136 0.000 2.630 202 Y HA 0.873 5.423 4.550 0.001 0.000 0.337 202 Y C 0.076 175.925 175.900 -0.085 0.000 1.051 202 Y CA -2.370 55.714 58.100 -0.026 0.000 1.121 202 Y CB 0.753 39.186 38.460 -0.044 0.000 1.299 202 Y HN -0.061 nan 8.280 nan 0.000 0.498 203 F N 0.470 120.427 119.950 0.012 0.000 2.362 203 F HA 0.655 5.182 4.527 0.001 0.000 0.340 203 F C -0.143 175.707 175.800 0.083 0.000 1.088 203 F CA -1.621 56.354 58.000 -0.042 0.000 1.096 203 F CB 0.830 39.803 39.000 -0.045 0.000 1.486 203 F HN 0.346 nan 8.300 nan 0.000 0.500 204 I N 2.073 122.821 120.570 0.297 0.000 2.642 204 I HA 0.190 4.360 4.170 0.001 0.000 0.273 204 I C -1.392 174.842 176.117 0.194 0.000 1.208 204 I CA -0.155 61.271 61.300 0.210 0.000 1.037 204 I CB 0.756 38.828 38.000 0.120 0.000 1.253 204 I HN 0.206 nan 8.210 nan 0.000 0.504 205 I N 3.884 124.548 120.570 0.157 0.000 2.783 205 I HA 0.275 4.445 4.170 0.001 0.000 0.312 205 I C 1.273 177.436 176.117 0.077 0.000 0.988 205 I CA -0.579 60.787 61.300 0.110 0.000 1.182 205 I CB 0.439 38.485 38.000 0.077 0.000 1.368 205 I HN 0.340 nan 8.210 nan 0.000 0.511 206 N N 3.774 122.506 118.700 0.053 0.000 2.942 206 N HA -0.248 4.492 4.740 0.001 0.000 0.284 206 N C 1.089 176.625 175.510 0.044 0.000 1.019 206 N CA 1.198 54.268 53.050 0.032 0.000 0.879 206 N CB -0.603 37.895 38.487 0.018 0.000 0.917 206 N HN 1.004 nan 8.380 nan 0.000 0.606 207 G N -1.200 107.635 108.800 0.057 0.000 3.757 207 G HA2 -0.359 3.602 3.960 0.001 0.000 0.215 207 G HA3 -0.359 3.602 3.960 0.001 0.000 0.215 207 G C 0.149 175.095 174.900 0.078 0.000 1.411 207 G CA 0.402 45.547 45.100 0.076 0.000 0.896 207 G HN 0.848 nan 8.290 nan 0.000 0.581 208 S N 1.568 117.306 115.700 0.064 0.000 2.572 208 S HA 0.490 4.961 4.470 0.001 0.000 0.279 208 S C -0.014 174.627 174.600 0.068 0.000 1.341 208 S CA 0.110 58.339 58.200 0.048 0.000 1.043 208 S CB 1.489 64.704 63.200 0.025 0.000 0.887 208 S HN 0.591 nan 8.310 nan 0.000 0.516 209 E N 1.872 122.098 120.200 0.043 0.000 1.944 209 E HA 0.124 4.475 4.350 0.001 0.000 0.272 209 E C -0.335 176.294 176.600 0.048 0.000 1.195 209 E CA -0.299 56.149 56.400 0.079 0.000 0.926 209 E CB 0.341 29.982 29.700 -0.100 0.000 1.051 209 E HN 0.303 nan 8.360 nan 0.000 0.404 210 K N 2.161 122.637 120.400 0.127 0.000 2.172 210 K HA 0.335 4.655 4.320 0.001 0.000 0.276 210 K C -0.489 176.164 176.600 0.089 0.000 1.013 210 K CA -0.685 55.640 56.287 0.063 0.000 0.913 210 K CB 1.827 34.349 32.500 0.037 0.000 1.055 210 K HN 0.182 nan 8.250 nan 0.000 0.461 211 V N 4.920 124.810 119.914 -0.040 0.000 2.409 211 V HA 0.319 4.439 4.120 0.001 0.000 0.291 211 V C 0.174 176.196 176.094 -0.120 0.000 1.020 211 V CA -0.888 61.361 62.300 -0.085 0.000 0.848 211 V CB 1.369 32.988 31.823 -0.341 0.000 0.990 211 V HN 0.557 nan 8.190 nan 0.000 0.430 212 L N 5.795 126.968 121.223 -0.083 0.000 2.313 212 L HA 0.396 4.736 4.340 0.001 0.000 0.282 212 L C -0.238 176.559 176.870 -0.122 0.000 1.092 212 L CA -0.238 54.519 54.840 -0.138 0.000 0.831 212 L CB 0.786 42.773 42.059 -0.119 0.000 1.159 212 L HN 0.413 nan 8.230 nan 0.000 0.442 213 I N 3.019 123.500 120.570 -0.148 0.000 2.440 213 I HA 0.232 4.403 4.170 0.001 0.000 0.294 213 I C 0.826 176.885 176.117 -0.097 0.000 0.995 213 I CA -0.453 60.783 61.300 -0.105 0.000 1.306 213 I CB 1.552 39.506 38.000 -0.077 0.000 1.407 213 I HN 0.603 nan 8.210 nan 0.000 0.501 214 A N 7.400 130.185 122.820 -0.057 0.000 2.567 214 A HA 0.042 4.363 4.320 0.001 0.000 0.240 214 A C 0.237 177.792 177.584 -0.048 0.000 1.053 214 A CA 0.046 52.059 52.037 -0.040 0.000 0.755 214 A CB -0.155 18.836 19.000 -0.014 0.000 0.978 214 A HN 0.649 nan 8.150 nan 0.000 0.507 215 Q N 2.045 121.813 119.800 -0.053 0.000 2.506 215 Q HA 0.165 4.505 4.340 0.001 0.000 0.242 215 Q C -0.217 175.768 176.000 -0.026 0.000 1.060 215 Q CA -0.153 55.617 55.803 -0.055 0.000 0.826 215 Q CB 1.174 29.859 28.738 -0.089 0.000 1.169 215 Q HN 0.927 nan 8.270 nan 0.000 0.521 216 E N 2.977 123.176 120.200 -0.001 0.000 2.452 216 E HA 0.090 4.440 4.350 0.001 0.000 0.261 216 E C -0.427 176.175 176.600 0.003 0.000 0.987 216 E CA 0.174 56.584 56.400 0.017 0.000 0.926 216 E CB 0.520 30.270 29.700 0.082 0.000 0.934 216 E HN 0.412 nan 8.360 nan 0.000 0.452 217 R N 1.280 121.772 120.500 -0.014 0.000 2.716 217 R HA 0.308 4.649 4.340 0.001 0.000 0.271 217 R C -1.324 174.957 176.300 -0.032 0.000 1.028 217 R CA -0.828 55.264 56.100 -0.015 0.000 0.883 217 R CB 0.868 31.159 30.300 -0.015 0.000 1.250 217 R HN 0.238 nan 8.270 nan 0.000 0.465 218 S N 0.812 116.499 115.700 -0.022 0.000 2.488 218 S HA 0.517 4.987 4.470 0.001 0.000 0.278 218 S C 0.313 174.879 174.600 -0.057 0.000 1.259 218 S CA 0.090 58.270 58.200 -0.032 0.000 1.061 218 S CB -0.193 63.004 63.200 -0.005 0.000 0.910 218 S HN 0.817 nan 8.310 nan 0.000 0.491 219 A N 4.345 127.107 122.820 -0.097 0.000 2.536 219 A HA 0.494 4.814 4.320 0.001 0.000 0.234 219 A C 0.876 178.401 177.584 -0.099 0.000 1.076 219 A CA 0.326 52.286 52.037 -0.129 0.000 0.769 219 A CB -0.352 18.523 19.000 -0.209 0.000 1.020 219 A HN 1.016 nan 8.150 nan 0.000 0.508 220 G N -0.691 108.051 108.800 -0.098 0.000 2.509 220 G HA2 0.477 4.437 3.960 0.001 0.000 0.328 220 G HA3 0.477 4.437 3.960 0.001 0.000 0.328 220 G C -0.330 174.512 174.900 -0.096 0.000 1.194 220 G CA -0.447 44.606 45.100 -0.078 0.000 0.967 220 G HN 1.049 nan 8.290 nan 0.000 0.488 221 N N -1.096 117.529 118.700 -0.125 0.000 2.681 221 N HA -0.156 4.584 4.740 0.001 0.000 0.259 221 N C -0.681 174.790 175.510 -0.065 0.000 1.066 221 N CA 1.051 53.978 53.050 -0.204 0.000 0.717 221 N CB -1.146 37.185 38.487 -0.259 0.000 0.885 221 N HN 0.579 nan 8.380 nan 0.000 0.547 222 I N -0.815 119.728 120.570 -0.045 0.000 2.775 222 I HA 0.328 4.498 4.170 0.001 0.000 0.295 222 I C 0.008 176.088 176.117 -0.062 0.000 1.287 222 I CA -1.192 60.091 61.300 -0.029 0.000 1.029 222 I CB 2.426 40.384 38.000 -0.070 0.000 1.282 222 I HN -0.194 nan 8.210 nan 0.000 0.426 223 V N 3.465 123.323 119.914 -0.093 0.000 2.481 223 V HA 0.566 4.687 4.120 0.001 0.000 0.286 223 V C -0.408 175.535 176.094 -0.252 0.000 1.042 223 V CA -0.486 61.706 62.300 -0.181 0.000 0.928 223 V CB 1.153 32.824 31.823 -0.252 0.000 0.986 223 V HN 0.755 nan 8.190 nan 0.000 0.462 224 Q N 2.014 121.605 119.800 -0.348 0.000 2.377 224 Q HA 0.697 5.037 4.340 0.001 0.000 0.279 224 Q C -1.363 174.228 176.000 -0.681 0.000 1.049 224 Q CA -0.895 54.605 55.803 -0.505 0.000 0.825 224 Q CB 3.096 31.477 28.738 -0.595 0.000 1.401 224 Q HN 0.782 nan 8.270 nan 0.000 0.404 225 V N -1.074 118.468 119.914 -0.620 0.000 2.581 225 V HA 0.725 4.846 4.120 0.001 0.000 0.303 225 V C -0.819 175.009 176.094 -0.444 0.000 1.041 225 V CA -0.610 61.410 62.300 -0.466 0.000 0.907 225 V CB 0.923 32.609 31.823 -0.229 0.000 0.994 225 V HN 0.667 nan 8.190 nan 0.000 0.442 226 F N 1.293 121.180 119.950 -0.105 0.000 2.547 226 F HA 0.528 5.055 4.527 0.001 0.000 0.316 226 F C 0.349 176.033 175.800 -0.193 0.000 1.121 226 F CA -1.049 56.873 58.000 -0.131 0.000 0.911 226 F CB 2.491 41.439 39.000 -0.086 0.000 1.179 226 F HN 0.416 nan 8.300 nan 0.000 0.443 227 K N 3.602 123.974 120.400 -0.047 0.000 2.322 227 K HA 0.276 4.596 4.320 0.001 0.000 0.283 227 K C -0.490 176.078 176.600 -0.054 0.000 1.042 227 K CA -0.321 55.840 56.287 -0.209 0.000 0.958 227 K CB 1.075 33.438 32.500 -0.228 0.000 0.984 227 K HN 0.547 nan 8.250 nan 0.000 0.473 228 K N 1.554 121.953 120.400 -0.002 0.000 2.156 228 K HA 0.322 4.643 4.320 0.001 0.000 0.254 228 K C -0.371 176.226 176.600 -0.004 0.000 0.950 228 K CA -0.679 55.607 56.287 -0.003 0.000 0.849 228 K CB 1.729 34.234 32.500 0.007 0.000 1.100 228 K HN 0.716 nan 8.250 nan 0.000 0.434 229 A N 1.547 124.354 122.820 -0.021 0.000 2.653 229 A HA -0.066 4.255 4.320 0.001 0.000 0.227 229 A C 1.305 178.885 177.584 -0.005 0.000 1.066 229 A CA 1.133 53.159 52.037 -0.018 0.000 0.771 229 A CB -0.111 18.875 19.000 -0.024 0.000 0.980 229 A HN 0.949 nan 8.150 nan 0.000 0.507 230 A N 2.204 125.022 122.820 -0.003 0.000 1.978 230 A HA 0.042 4.362 4.320 0.001 0.000 0.220 230 A C -0.628 176.955 177.584 -0.001 0.000 1.170 230 A CA 1.634 53.673 52.037 0.003 0.000 0.636 230 A CB -1.130 17.872 19.000 0.002 0.000 0.810 230 A HN 0.771 nan 8.150 nan 0.000 0.448 231 P HA 0.374 nan 4.420 nan 0.000 0.234 231 P C -0.758 176.534 177.300 -0.013 0.000 1.799 231 P CA 0.284 63.379 63.100 -0.008 0.000 1.118 231 P CB 0.458 32.154 31.700 -0.008 0.000 1.827 232 S N 3.718 119.409 115.700 -0.015 0.000 2.678 232 S HA 0.323 4.793 4.470 0.001 0.000 0.290 232 S C -2.350 172.226 174.600 -0.040 0.000 1.047 232 S CA -0.774 57.407 58.200 -0.030 0.000 0.851 232 S CB 1.115 64.293 63.200 -0.037 0.000 1.058 232 S HN 0.082 nan 8.310 nan 0.000 0.451 233 P HA 0.181 nan 4.420 nan 0.000 0.220 233 P C 0.312 177.516 177.300 -0.160 0.000 1.152 233 P CA 0.508 63.561 63.100 -0.079 0.000 0.812 233 P CB -0.187 31.473 31.700 -0.067 0.000 0.792 234 I N 0.687 121.118 120.570 -0.232 0.000 2.556 234 I HA 0.015 4.185 4.170 0.001 0.000 0.284 234 I C 2.010 178.084 176.117 -0.072 0.000 1.114 234 I CA 0.420 61.577 61.300 -0.238 0.000 1.418 234 I CB 0.569 38.428 38.000 -0.235 0.000 1.394 234 I HN -0.082 nan 8.210 nan 0.000 0.552 235 S N 5.474 121.159 115.700 -0.026 0.000 2.310 235 S HA 0.190 4.660 4.470 0.001 0.000 0.205 235 S C 0.517 175.321 174.600 0.340 0.000 1.020 235 S CA 0.545 58.795 58.200 0.083 0.000 0.939 235 S CB 0.015 63.160 63.200 -0.092 0.000 0.919 235 S HN 0.671 nan 8.310 nan 0.000 0.501 236 H N -1.022 118.033 119.070 -0.024 0.000 2.797 236 H HA 0.750 5.306 4.556 0.001 0.000 0.372 236 H C -1.480 173.834 175.328 -0.023 0.000 1.168 236 H CA -1.271 54.770 56.048 -0.012 0.000 1.163 236 H CB 2.067 31.817 29.762 -0.019 0.000 1.778 236 H HN 0.180 nan 8.280 nan 0.000 0.551 237 V N 0.465 120.442 119.914 0.105 0.000 3.087 237 V HA 0.565 4.685 4.120 0.001 0.000 0.306 237 V C -0.947 175.103 176.094 -0.074 0.000 1.187 237 V CA -0.884 61.429 62.300 0.022 0.000 0.999 237 V CB 2.007 33.849 31.823 0.031 0.000 1.049 237 V HN 0.914 nan 8.190 nan 0.000 0.431 238 A N 2.319 125.074 122.820 -0.110 0.000 2.304 238 A HA 0.825 5.145 4.320 0.001 0.000 0.314 238 A C -0.475 177.006 177.584 -0.173 0.000 1.187 238 A CA -0.516 51.399 52.037 -0.203 0.000 0.810 238 A CB 0.784 19.670 19.000 -0.190 0.000 1.183 238 A HN 0.819 nan 8.150 nan 0.000 0.487 239 E N 0.859 120.920 120.200 -0.232 0.000 2.232 239 E HA 0.720 5.070 4.350 0.001 0.000 0.264 239 E C -1.268 175.261 176.600 -0.119 0.000 0.973 239 E CA -0.713 55.606 56.400 -0.135 0.000 0.849 239 E CB 2.578 32.230 29.700 -0.080 0.000 1.198 239 E HN 0.603 nan 8.360 nan 0.000 0.407 240 I N 0.889 121.424 120.570 -0.059 0.000 2.690 240 I HA 0.162 4.332 4.170 0.001 0.000 0.286 240 I C -1.391 174.711 176.117 -0.025 0.000 1.313 240 I CA -0.385 60.895 61.300 -0.032 0.000 1.070 240 I CB 1.056 39.076 38.000 0.033 0.000 1.323 240 I HN 0.390 nan 8.210 nan 0.000 0.432 241 R N 5.099 125.577 120.500 -0.037 0.000 2.220 241 R HA 0.331 4.671 4.340 0.001 0.000 0.340 241 R C -0.169 176.099 176.300 -0.054 0.000 1.076 241 R CA -0.289 55.794 56.100 -0.028 0.000 0.920 241 R CB 0.803 31.089 30.300 -0.023 0.000 1.062 241 R HN 0.625 nan 8.270 nan 0.000 0.469 242 S N 1.305 116.990 115.700 -0.024 0.000 2.480 242 S HA 0.740 5.211 4.470 0.001 0.000 0.286 242 S C -0.244 174.381 174.600 0.042 0.000 1.180 242 S CA -0.847 57.339 58.200 -0.023 0.000 1.075 242 S CB 2.047 65.290 63.200 0.072 0.000 0.996 242 S HN 0.642 nan 8.310 nan 0.000 0.487 243 A N 3.295 126.138 122.820 0.037 0.000 2.513 243 A HA 0.553 4.873 4.320 0.001 0.000 0.296 243 A C -0.686 176.934 177.584 0.061 0.000 1.052 243 A CA -0.909 51.171 52.037 0.071 0.000 0.714 243 A CB 0.777 19.811 19.000 0.056 0.000 1.279 243 A HN 0.855 nan 8.150 nan 0.000 0.397 244 L N 2.738 123.989 121.223 0.047 0.000 2.562 244 L HA 0.063 4.404 4.340 0.001 0.000 0.271 244 L C 1.590 178.472 176.870 0.020 0.000 1.167 244 L CA 0.011 54.860 54.840 0.015 0.000 0.917 244 L CB 0.312 42.338 42.059 -0.055 0.000 1.187 244 L HN 0.966 nan 8.230 nan 0.000 0.482 245 E N 2.688 122.909 120.200 0.034 0.000 2.187 245 E HA -0.178 4.173 4.350 0.001 0.000 0.199 245 E C -0.146 176.472 176.600 0.031 0.000 1.004 245 E CA 1.407 57.831 56.400 0.041 0.000 0.813 245 E CB 0.117 29.849 29.700 0.053 0.000 0.736 245 E HN 0.503 nan 8.360 nan 0.000 0.468 246 K N -1.131 119.275 120.400 0.010 0.000 2.588 246 K HA 0.437 4.758 4.320 0.001 0.000 0.250 246 K C -0.991 175.587 176.600 -0.037 0.000 0.972 246 K CA -0.044 56.242 56.287 -0.001 0.000 0.821 246 K CB 2.346 34.849 32.500 0.004 0.000 1.249 246 K HN 0.118 nan 8.250 nan 0.000 0.442 247 G N 1.415 110.185 108.800 -0.050 0.000 2.992 247 G HA2 -0.025 3.935 3.960 0.001 0.000 0.677 247 G HA3 -0.025 3.935 3.960 0.001 0.000 0.677 247 G C 0.155 174.961 174.900 -0.158 0.000 1.191 247 G CA 0.064 45.105 45.100 -0.097 0.000 1.178 247 G HN 0.711 nan 8.290 nan 0.000 0.506 248 S N 1.053 116.671 115.700 -0.135 0.000 2.156 248 S HA -0.333 4.137 4.470 0.001 0.000 0.234 248 S C 1.390 175.952 174.600 -0.065 0.000 1.141 248 S CA 2.414 60.519 58.200 -0.159 0.000 1.592 248 S CB -1.189 61.768 63.200 -0.405 0.000 2.054 248 S HN 2.344 nan 8.310 nan 0.000 0.586 249 R N 0.343 120.803 120.500 -0.066 0.000 3.022 249 R HA -0.134 4.207 4.340 0.001 0.000 0.248 249 R C 0.183 176.592 176.300 0.182 0.000 0.874 249 R CA 1.054 57.178 56.100 0.039 0.000 0.626 249 R CB -2.355 27.980 30.300 0.058 0.000 1.255 249 R HN 0.583 nan 8.270 nan 0.000 0.496 250 F N 0.521 120.485 119.950 0.023 0.000 2.485 250 F HA 0.148 4.675 4.527 0.001 0.000 0.327 250 F C 1.737 177.555 175.800 0.030 0.000 1.203 250 F CA -0.374 57.644 58.000 0.029 0.000 1.295 250 F CB 0.594 39.611 39.000 0.028 0.000 1.191 250 F HN 0.185 nan 8.300 nan 0.000 0.588 251 I N 1.916 122.608 120.570 0.203 0.000 2.914 251 I HA 0.029 4.199 4.170 0.001 0.000 0.303 251 I C -0.831 175.320 176.117 0.056 0.000 1.553 251 I CA -0.175 61.189 61.300 0.106 0.000 0.799 251 I CB 0.651 38.697 38.000 0.078 0.000 2.056 251 I HN 0.329 nan 8.210 nan 0.000 0.613 252 S N 0.457 116.194 115.700 0.062 0.000 2.499 252 S HA 0.530 5.001 4.470 0.001 0.000 0.279 252 S C 0.185 174.799 174.600 0.024 0.000 1.219 252 S CA -0.516 57.703 58.200 0.032 0.000 1.062 252 S CB 1.315 64.536 63.200 0.035 0.000 0.978 252 S HN 0.264 nan 8.310 nan 0.000 0.489 253 T N 3.544 118.102 114.554 0.007 0.000 2.889 253 T HA 0.449 4.800 4.350 0.001 0.000 0.291 253 T C -0.465 174.215 174.700 -0.032 0.000 0.995 253 T CA -0.505 61.592 62.100 -0.007 0.000 1.092 253 T CB 0.689 69.555 68.868 -0.003 0.000 0.954 253 T HN 0.573 nan 8.240 nan 0.000 0.506 254 L N 3.345 124.540 121.223 -0.046 0.000 2.319 254 L HA 0.404 4.745 4.340 0.001 0.000 0.281 254 L C -0.556 176.272 176.870 -0.070 0.000 1.005 254 L CA -0.152 54.633 54.840 -0.091 0.000 0.828 254 L CB 1.253 43.233 42.059 -0.132 0.000 1.227 254 L HN 0.596 nan 8.230 nan 0.000 0.415 255 Q N 3.921 123.683 119.800 -0.064 0.000 2.312 255 Q HA 0.630 4.971 4.340 0.001 0.000 0.263 255 Q C -1.277 174.702 176.000 -0.036 0.000 0.995 255 Q CA -0.877 54.901 55.803 -0.040 0.000 0.853 255 Q CB 2.955 31.684 28.738 -0.015 0.000 1.300 255 Q HN 0.468 nan 8.270 nan 0.000 0.448 256 V N 3.475 123.370 119.914 -0.031 0.000 2.327 256 V HA 0.199 4.320 4.120 0.001 0.000 0.272 256 V C 0.006 176.106 176.094 0.010 0.000 1.019 256 V CA -0.559 61.733 62.300 -0.014 0.000 0.814 256 V CB 0.820 32.621 31.823 -0.037 0.000 1.040 256 V HN 0.677 nan 8.190 nan 0.000 0.440 257 K N 2.755 123.185 120.400 0.049 0.000 2.916 257 K HA 0.586 4.907 4.320 0.001 0.000 0.320 257 K C -0.372 176.277 176.600 0.082 0.000 1.032 257 K CA -0.447 55.876 56.287 0.061 0.000 1.074 257 K CB 0.298 32.854 32.500 0.094 0.000 1.192 257 K HN 0.353 nan 8.250 nan 0.000 0.468 258 L N 0.392 121.678 121.223 0.105 0.000 2.664 258 L HA 0.179 4.519 4.340 0.001 0.000 0.239 258 L C -1.520 175.414 176.870 0.106 0.000 1.198 258 L CA -0.113 54.790 54.840 0.104 0.000 0.976 258 L CB -0.779 41.289 42.059 0.015 0.000 1.149 258 L HN 0.427 nan 8.230 nan 0.000 0.614 259 Y N 1.672 121.972 120.300 0.001 0.000 2.629 259 Y HA 0.356 4.906 4.550 0.001 0.000 0.354 259 Y C 1.667 177.561 175.900 -0.010 0.000 1.268 259 Y CA 1.550 59.652 58.100 0.004 0.000 1.475 259 Y CB 0.078 38.546 38.460 0.013 0.000 1.346 259 Y HN 0.858 nan 8.280 nan 0.000 0.685 260 G N 1.730 110.616 108.800 0.144 0.000 3.347 260 G HA2 -0.218 3.742 3.960 0.001 0.000 0.597 260 G HA3 -0.218 3.742 3.960 0.001 0.000 0.597 260 G C 0.039 174.946 174.900 0.011 0.000 0.831 260 G CA -0.571 44.571 45.100 0.069 0.000 0.778 260 G HN 0.559 nan 8.290 nan 0.000 0.459 261 R N 1.124 121.626 120.500 0.004 0.000 3.038 261 R HA 0.187 4.528 4.340 0.001 0.000 0.263 261 R C 0.965 177.253 176.300 -0.021 0.000 1.208 261 R CA -0.277 55.818 56.100 -0.009 0.000 1.116 261 R CB 0.241 30.543 30.300 0.004 0.000 1.045 261 R HN 0.758 nan 8.270 nan 0.000 0.549 262 E N 0.030 120.220 120.200 -0.017 0.000 2.159 262 E HA 0.116 4.466 4.350 0.001 0.000 0.272 262 E C 0.270 176.864 176.600 -0.010 0.000 1.138 262 E CA 0.633 57.020 56.400 -0.022 0.000 0.915 262 E CB -0.029 29.667 29.700 -0.007 0.000 1.028 262 E HN 0.698 nan 8.360 nan 0.000 0.423 263 G N 3.435 112.228 108.800 -0.012 0.000 2.981 263 G HA2 -0.307 3.653 3.960 0.001 0.000 0.198 263 G HA3 -0.307 3.653 3.960 0.001 0.000 0.198 263 G C 0.160 175.061 174.900 0.002 0.000 1.806 263 G CA -0.159 44.939 45.100 -0.003 0.000 1.374 263 G HN 0.959 nan 8.290 nan 0.000 0.555 264 S N 1.430 117.134 115.700 0.007 0.000 2.711 264 S HA 0.332 4.802 4.470 0.001 0.000 0.320 264 S C 0.704 175.312 174.600 0.015 0.000 1.240 264 S CA 0.902 59.111 58.200 0.014 0.000 1.034 264 S CB 0.493 63.706 63.200 0.022 0.000 0.741 264 S HN 2.174 nan 8.310 nan 0.000 0.496 265 S N 2.277 117.986 115.700 0.016 0.000 2.510 265 S HA 0.513 4.983 4.470 0.001 0.000 0.279 265 S C 0.563 175.175 174.600 0.020 0.000 1.284 265 S CA -0.437 57.772 58.200 0.015 0.000 1.059 265 S CB 0.058 63.266 63.200 0.013 0.000 0.901 265 S HN 2.428 nan 8.310 nan 0.000 0.491 266 A N 2.612 125.442 122.820 0.018 0.000 2.974 266 A HA -0.094 4.227 4.320 0.001 0.000 0.272 266 A C 0.240 177.844 177.584 0.033 0.000 1.343 266 A CA -0.334 51.715 52.037 0.021 0.000 0.729 266 A CB -1.835 17.177 19.000 0.020 0.000 1.087 266 A HN 0.827 nan 8.150 nan 0.000 0.398 267 R N 1.289 121.804 120.500 0.026 0.000 3.701 267 R HA 0.190 4.530 4.340 0.001 0.000 0.210 267 R C 0.851 177.177 176.300 0.043 0.000 1.598 267 R CA 0.664 56.784 56.100 0.033 0.000 1.427 267 R CB 0.153 30.452 30.300 -0.001 0.000 1.339 267 R HN 0.784 nan 8.270 nan 0.000 0.720 268 T N 0.970 115.560 114.554 0.060 0.000 2.860 268 T HA 0.307 4.657 4.350 0.001 0.000 0.299 268 T C 0.413 175.166 174.700 0.088 0.000 1.045 268 T CA -0.190 61.937 62.100 0.046 0.000 1.071 268 T CB 0.544 69.405 68.868 -0.011 0.000 0.985 268 T HN 0.316 nan 8.240 nan 0.000 0.537 269 I N 3.648 124.262 120.570 0.074 0.000 2.410 269 I HA 0.440 4.610 4.170 0.001 0.000 0.286 269 I C 0.182 176.356 176.117 0.094 0.000 1.009 269 I CA -0.796 60.563 61.300 0.100 0.000 1.111 269 I CB 1.627 39.672 38.000 0.075 0.000 1.262 269 I HN 0.582 nan 8.210 nan 0.000 0.443 270 K N 4.576 125.061 120.400 0.143 0.000 2.350 270 K HA 0.922 5.243 4.320 0.001 0.000 0.241 270 K C -1.048 175.621 176.600 0.114 0.000 0.994 270 K CA -0.923 55.432 56.287 0.113 0.000 0.839 270 K CB 2.942 35.498 32.500 0.093 0.000 1.244 270 K HN 0.620 nan 8.250 nan 0.000 0.443 271 A N 0.831 123.694 122.820 0.072 0.000 2.449 271 A HA 0.568 4.889 4.320 0.001 0.000 0.302 271 A C -0.968 176.628 177.584 0.019 0.000 1.048 271 A CA -0.650 51.408 52.037 0.035 0.000 0.708 271 A CB 1.589 20.589 19.000 -0.000 0.000 1.274 271 A HN 0.528 nan 8.150 nan 0.000 0.410 272 T N 2.408 116.962 114.554 0.001 0.000 2.837 272 T HA 0.610 4.961 4.350 0.001 0.000 0.285 272 T C -0.300 174.371 174.700 -0.048 0.000 0.984 272 T CA -0.068 62.026 62.100 -0.009 0.000 1.049 272 T CB 0.411 69.281 68.868 0.003 0.000 0.947 272 T HN 0.446 nan 8.240 nan 0.000 0.472 273 L N 4.591 125.790 121.223 -0.039 0.000 2.346 273 L HA 0.507 4.848 4.340 0.001 0.000 0.274 273 L C -2.111 174.759 176.870 -0.001 0.000 1.007 273 L CA -2.723 52.087 54.840 -0.050 0.000 0.818 273 L CB 1.790 43.836 42.059 -0.023 0.000 1.284 273 L HN 0.375 nan 8.230 nan 0.000 0.424 274 P HA -0.096 nan 4.420 nan 0.000 0.265 274 P C -0.683 176.775 177.300 0.263 0.000 1.187 274 P CA 0.331 63.517 63.100 0.144 0.000 0.766 274 P CB 0.223 32.011 31.700 0.146 0.000 0.820 275 Y N -1.110 119.162 120.300 -0.048 0.000 4.409 275 Y HA -0.194 4.357 4.550 0.001 0.000 0.228 275 Y C 0.530 176.402 175.900 -0.046 0.000 1.108 275 Y CA 0.450 58.538 58.100 -0.021 0.000 1.955 275 Y CB -2.361 36.102 38.460 0.005 0.000 1.615 275 Y HN 0.329 nan 8.280 nan 0.000 0.665 276 I N -0.092 120.503 120.570 0.043 0.000 2.439 276 I HA 0.159 4.330 4.170 0.001 0.000 0.283 276 I C 1.102 177.208 176.117 -0.019 0.000 1.023 276 I CA -0.881 60.410 61.300 -0.016 0.000 1.100 276 I CB 1.698 39.666 38.000 -0.054 0.000 1.238 276 I HN -0.026 nan 8.210 nan 0.000 0.445 277 K N 3.357 123.749 120.400 -0.014 0.000 2.209 277 K HA -0.105 4.216 4.320 0.001 0.000 0.204 277 K C 0.766 177.361 176.600 -0.009 0.000 1.048 277 K CA 1.126 57.406 56.287 -0.011 0.000 0.940 277 K CB 0.189 32.689 32.500 0.000 0.000 0.729 277 K HN 0.558 nan 8.250 nan 0.000 0.451 278 Q N 0.198 119.982 119.800 -0.025 0.000 2.418 278 Q HA 0.119 4.460 4.340 0.001 0.000 0.276 278 Q C -1.084 174.903 176.000 -0.021 0.000 1.081 278 Q CA -0.874 54.921 55.803 -0.013 0.000 0.864 278 Q CB 1.750 30.477 28.738 -0.017 0.000 1.384 278 Q HN -0.043 nan 8.270 nan 0.000 0.467 279 D N 0.475 120.884 120.400 0.014 0.000 2.423 279 D HA 0.472 5.112 4.640 0.001 0.000 0.255 279 D C -0.401 175.896 176.300 -0.004 0.000 1.174 279 D CA 0.048 54.064 54.000 0.027 0.000 1.008 279 D CB 0.874 41.731 40.800 0.095 0.000 1.101 279 D HN 0.406 nan 8.370 nan 0.000 0.516 280 I N 0.811 121.392 120.570 0.017 0.000 2.692 280 I HA 0.164 4.335 4.170 0.001 0.000 0.293 280 I C -2.578 173.576 176.117 0.061 0.000 1.200 280 I CA -2.068 59.252 61.300 0.033 0.000 1.036 280 I CB 3.089 41.089 38.000 0.001 0.000 1.258 280 I HN -0.024 nan 8.210 nan 0.000 0.421 281 P HA 0.145 nan 4.420 nan 0.000 0.276 281 P C 1.192 178.551 177.300 0.098 0.000 1.264 281 P CA -0.136 63.013 63.100 0.083 0.000 0.769 281 P CB 0.625 32.379 31.700 0.091 0.000 0.840 282 I N 1.713 122.333 120.570 0.083 0.000 2.354 282 I HA -0.325 3.846 4.170 0.001 0.000 0.258 282 I C 1.275 177.476 176.117 0.140 0.000 1.111 282 I CA 1.573 62.909 61.300 0.061 0.000 1.390 282 I CB -1.184 36.858 38.000 0.071 0.000 1.072 282 I HN 0.000 nan 8.210 nan 0.000 0.441 283 V N 2.169 122.202 119.914 0.200 0.000 2.216 283 V HA -0.294 3.827 4.120 0.001 0.000 0.242 283 V C 2.587 178.816 176.094 0.225 0.000 1.042 283 V CA 2.495 64.949 62.300 0.256 0.000 0.991 283 V CB -0.871 31.063 31.823 0.186 0.000 0.633 283 V HN 0.437 nan 8.190 nan 0.000 0.449 284 I N 0.084 120.757 120.570 0.172 0.000 2.229 284 I HA -0.341 3.829 4.170 0.001 0.000 0.250 284 I C 2.381 178.578 176.117 0.132 0.000 1.096 284 I CA 2.052 63.448 61.300 0.160 0.000 1.358 284 I CB -0.559 37.560 38.000 0.198 0.000 1.047 284 I HN 0.296 nan 8.210 nan 0.000 0.422 285 I N -0.279 120.352 120.570 0.101 0.000 2.286 285 I HA -0.293 3.877 4.170 0.001 0.000 0.248 285 I C 2.431 178.563 176.117 0.025 0.000 1.115 285 I CA 1.648 62.971 61.300 0.037 0.000 1.392 285 I CB -0.388 37.618 38.000 0.010 0.000 1.065 285 I HN 0.116 nan 8.210 nan 0.000 0.418 286 F N 0.897 120.876 119.950 0.049 0.000 2.186 286 F HA -0.123 4.404 4.527 0.001 0.000 0.299 286 F C 2.728 178.531 175.800 0.006 0.000 1.090 286 F CA 0.880 58.889 58.000 0.015 0.000 1.307 286 F CB -0.032 38.992 39.000 0.040 0.000 1.019 286 F HN -0.117 nan 8.300 nan 0.000 0.489 287 R N -0.291 120.349 120.500 0.234 0.000 2.119 287 R HA -0.015 4.325 4.340 0.001 0.000 0.222 287 R C 2.198 178.555 176.300 0.095 0.000 1.088 287 R CA 0.851 57.034 56.100 0.138 0.000 0.984 287 R CB -0.401 29.968 30.300 0.114 0.000 0.884 287 R HN 0.171 nan 8.270 nan 0.000 0.447 288 A N 0.644 123.514 122.820 0.082 0.000 2.168 288 A HA -0.011 4.309 4.320 0.001 0.000 0.215 288 A C 1.691 179.279 177.584 0.006 0.000 1.152 288 A CA 0.773 52.833 52.037 0.039 0.000 0.716 288 A CB -0.111 18.904 19.000 0.026 0.000 0.794 288 A HN 0.189 nan 8.150 nan 0.000 0.465 289 L N -1.092 120.144 121.223 0.022 0.000 2.653 289 L HA 0.233 4.574 4.340 0.001 0.000 0.231 289 L C 1.369 178.257 176.870 0.030 0.000 1.153 289 L CA 0.465 55.300 54.840 -0.008 0.000 0.933 289 L CB -0.012 42.037 42.059 -0.016 0.000 1.175 289 L HN 0.549 nan 8.230 nan 0.000 0.473 290 G N 1.229 110.056 108.800 0.044 0.000 2.160 290 G HA2 -0.270 3.690 3.960 0.001 0.000 0.244 290 G HA3 -0.270 3.690 3.960 0.001 0.000 0.244 290 G C 0.101 175.034 174.900 0.056 0.000 1.022 290 G CA -0.156 44.970 45.100 0.043 0.000 0.741 290 G HN 0.351 nan 8.290 nan 0.000 0.508 291 I N 0.824 121.438 120.570 0.072 0.000 2.750 291 I HA 0.316 4.486 4.170 0.001 0.000 0.279 291 I C 1.628 177.779 176.117 0.057 0.000 1.206 291 I CA -0.756 60.579 61.300 0.059 0.000 1.101 291 I CB 0.381 38.388 38.000 0.013 0.000 1.431 291 I HN 0.070 nan 8.210 nan 0.000 0.551 292 I N 4.099 124.700 120.570 0.051 0.000 2.202 292 I HA -0.044 4.126 4.170 0.001 0.000 0.242 292 I C -1.053 175.090 176.117 0.044 0.000 1.091 292 I CA 0.774 62.103 61.300 0.049 0.000 1.368 292 I CB -0.873 37.151 38.000 0.040 0.000 1.058 292 I HN 0.334 nan 8.210 nan 0.000 0.410 293 P HA 0.126 nan 4.420 nan 0.000 0.284 293 P C -1.104 176.205 177.300 0.015 0.000 1.253 293 P CA -0.168 62.949 63.100 0.027 0.000 0.800 293 P CB 0.792 32.504 31.700 0.019 0.000 0.961 294 D N 0.983 121.400 120.400 0.029 0.000 2.349 294 D HA 0.192 4.832 4.640 0.001 0.000 0.239 294 D C 1.793 178.090 176.300 -0.005 0.000 1.315 294 D CA 0.879 54.891 54.000 0.021 0.000 0.937 294 D CB -0.534 40.289 40.800 0.038 0.000 1.133 294 D HN 0.680 nan 8.370 nan 0.000 0.489 295 G N -0.147 108.645 108.800 -0.014 0.000 2.746 295 G HA2 -0.475 3.485 3.960 0.001 0.000 0.236 295 G HA3 -0.475 3.485 3.960 0.001 0.000 0.236 295 G C 1.071 175.939 174.900 -0.054 0.000 1.172 295 G CA 0.999 46.083 45.100 -0.027 0.000 0.736 295 G HN 0.612 nan 8.290 nan 0.000 0.519 296 E N 0.270 120.434 120.200 -0.060 0.000 2.170 296 E HA 0.186 4.536 4.350 0.001 0.000 0.191 296 E C 2.643 179.148 176.600 -0.159 0.000 0.981 296 E CA 0.635 56.977 56.400 -0.097 0.000 0.830 296 E CB -0.109 29.564 29.700 -0.046 0.000 0.775 296 E HN 0.665 nan 8.360 nan 0.000 0.470 297 I N 1.084 121.565 120.570 -0.147 0.000 2.315 297 I HA -0.240 3.931 4.170 0.001 0.000 0.248 297 I C 2.066 178.038 176.117 -0.241 0.000 1.117 297 I CA 0.528 61.635 61.300 -0.322 0.000 1.404 297 I CB -0.073 37.773 38.000 -0.256 0.000 1.071 297 I HN 0.253 nan 8.210 nan 0.000 0.419 298 L N 0.440 121.601 121.223 -0.104 0.000 2.191 298 L HA -0.173 4.167 4.340 0.001 0.000 0.212 298 L C 2.368 179.234 176.870 -0.006 0.000 1.103 298 L CA 1.683 56.507 54.840 -0.028 0.000 0.769 298 L CB -1.071 40.984 42.059 -0.007 0.000 0.908 298 L HN 0.398 nan 8.230 nan 0.000 0.438 299 E N -0.967 119.184 120.200 -0.081 0.000 2.152 299 E HA -0.169 4.181 4.350 0.001 0.000 0.192 299 E C 1.904 178.503 176.600 -0.001 0.000 0.983 299 E CA 0.585 56.956 56.400 -0.048 0.000 0.818 299 E CB 0.004 29.608 29.700 -0.159 0.000 0.758 299 E HN 0.611 nan 8.360 nan 0.000 0.467 300 H N -0.103 118.921 119.070 -0.076 0.000 2.524 300 H HA 0.041 4.597 4.556 0.001 0.000 0.282 300 H C 1.960 177.482 175.328 0.323 0.000 1.016 300 H CA 0.764 56.746 56.048 -0.109 0.000 1.270 300 H CB 0.388 29.878 29.762 -0.454 0.000 1.394 300 H HN 0.213 nan 8.280 nan 0.000 0.568 301 I N -0.858 119.895 120.570 0.304 0.000 2.947 301 I HA -0.027 4.143 4.170 0.001 0.000 0.263 301 I C 0.868 176.974 176.117 -0.018 0.000 1.130 301 I CA 0.223 61.640 61.300 0.195 0.000 1.448 301 I CB 0.658 38.755 38.000 0.163 0.000 1.222 301 I HN 0.041 nan 8.210 nan 0.000 0.453 302 C N 1.270 120.611 119.300 0.067 0.000 2.264 302 C HA 0.318 4.778 4.460 0.001 0.000 0.324 302 C C 0.989 176.142 174.990 0.273 0.000 1.267 302 C CA -0.406 58.627 59.018 0.024 0.000 1.618 302 C CB -0.711 27.053 27.740 0.041 0.000 2.278 302 C HN 0.436 nan 8.230 nan 0.000 0.499 303 Y N 2.682 123.090 120.300 0.180 0.000 2.461 303 Y HA 0.250 4.800 4.550 0.001 0.000 0.277 303 Y C 1.005 177.003 175.900 0.164 0.000 1.182 303 Y CA -0.362 57.867 58.100 0.215 0.000 1.276 303 Y CB 0.244 38.883 38.460 0.300 0.000 1.087 303 Y HN 0.639 nan 8.280 nan 0.000 0.519 304 D N 0.141 120.688 120.400 0.245 0.000 2.763 304 D HA 0.137 4.778 4.640 0.001 0.000 0.235 304 D C 0.130 176.503 176.300 0.121 0.000 1.334 304 D CA -0.179 53.924 54.000 0.171 0.000 0.950 304 D CB 2.459 43.349 40.800 0.150 0.000 1.433 304 D HN -0.087 nan 8.370 nan 0.000 0.580 305 V N 3.130 123.099 119.914 0.091 0.000 3.510 305 V HA 0.018 4.138 4.120 0.001 0.000 0.270 305 V C 1.050 177.197 176.094 0.088 0.000 1.201 305 V CA 0.534 62.870 62.300 0.061 0.000 1.166 305 V CB -0.708 31.113 31.823 -0.003 0.000 0.825 305 V HN 0.475 nan 8.190 nan 0.000 0.484 306 N N 1.160 119.927 118.700 0.112 0.000 2.671 306 N HA 0.134 4.874 4.740 0.001 0.000 0.303 306 N C 0.125 175.765 175.510 0.215 0.000 1.351 306 N CA 0.133 53.273 53.050 0.151 0.000 0.991 306 N CB 0.576 39.132 38.487 0.115 0.000 1.307 306 N HN 0.359 nan 8.380 nan 0.000 0.512 307 D N 0.303 120.824 120.400 0.203 0.000 2.740 307 D HA 0.014 4.654 4.640 0.001 0.000 0.301 307 D C 1.589 177.913 176.300 0.040 0.000 1.408 307 D CA -0.475 53.588 54.000 0.105 0.000 0.808 307 D CB 0.133 40.953 40.800 0.032 0.000 1.128 307 D HN 0.211 nan 8.370 nan 0.000 0.465 308 W N 1.101 122.403 121.300 0.003 0.000 2.207 308 W HA -0.357 4.303 4.660 0.001 0.000 0.335 308 W C 1.285 177.803 176.519 -0.002 0.000 1.370 308 W CA 0.895 58.239 57.345 -0.001 0.000 1.396 308 W CB -1.305 28.153 29.460 -0.003 0.000 1.095 308 W HN 0.146 nan 8.180 nan 0.000 0.490 309 Q N 0.570 119.884 119.800 -0.811 0.000 1.935 309 Q HA -0.306 4.035 4.340 0.001 0.000 0.212 309 Q C 2.490 178.316 176.000 -0.291 0.000 1.008 309 Q CA 2.824 58.201 55.803 -0.711 0.000 0.868 309 Q CB -0.987 27.277 28.738 -0.789 0.000 0.946 309 Q HN 0.510 nan 8.270 nan 0.000 0.418 310 M N 0.581 120.045 119.600 -0.227 0.000 2.113 310 M HA -0.266 4.214 4.480 0.001 0.000 0.255 310 M C 2.125 178.386 176.300 -0.065 0.000 1.073 310 M CA 1.657 56.883 55.300 -0.123 0.000 1.091 310 M CB -0.217 32.325 32.600 -0.097 0.000 1.309 310 M HN 0.206 nan 8.290 nan 0.000 0.407 311 L N -0.029 121.176 121.223 -0.030 0.000 1.944 311 L HA -0.291 4.049 4.340 0.001 0.000 0.218 311 L C 2.489 179.371 176.870 0.021 0.000 1.075 311 L CA 2.079 56.931 54.840 0.020 0.000 0.767 311 L CB -1.116 40.985 42.059 0.071 0.000 0.890 311 L HN 0.391 nan 8.230 nan 0.000 0.434 312 E N 0.192 120.413 120.200 0.035 0.000 2.119 312 E HA -0.327 4.024 4.350 0.001 0.000 0.221 312 E C 2.141 178.745 176.600 0.007 0.000 1.062 312 E CA 2.216 58.639 56.400 0.038 0.000 0.894 312 E CB -0.340 29.386 29.700 0.042 0.000 0.785 312 E HN 0.190 nan 8.360 nan 0.000 0.472 313 M N -0.481 119.104 119.600 -0.025 0.000 2.146 313 M HA -0.261 4.220 4.480 0.001 0.000 0.251 313 M C 2.430 178.730 176.300 -0.000 0.000 1.083 313 M CA 1.633 56.918 55.300 -0.026 0.000 1.076 313 M CB -1.070 31.500 32.600 -0.050 0.000 1.332 313 M HN 0.280 nan 8.290 nan 0.000 0.400 314 L N -1.100 120.130 121.223 0.011 0.000 2.156 314 L HA -0.181 4.159 4.340 0.001 0.000 0.208 314 L C 2.453 179.343 176.870 0.033 0.000 1.095 314 L CA 0.750 55.608 54.840 0.031 0.000 0.770 314 L CB -0.567 41.516 42.059 0.039 0.000 0.914 314 L HN 0.298 nan 8.230 nan 0.000 0.439 315 K N 0.409 120.824 120.400 0.025 0.000 2.015 315 K HA -0.221 4.100 4.320 0.001 0.000 0.220 315 K C -0.347 176.263 176.600 0.017 0.000 1.055 315 K CA 2.262 58.561 56.287 0.019 0.000 0.951 315 K CB -1.405 31.105 32.500 0.015 0.000 0.725 315 K HN 0.289 nan 8.250 nan 0.000 0.449 316 P HA -0.208 nan 4.420 nan 0.000 0.218 316 P C 1.664 178.980 177.300 0.026 0.000 1.146 316 P CA 1.293 64.402 63.100 0.015 0.000 0.813 316 P CB -0.149 31.558 31.700 0.013 0.000 0.778 317 C N -0.097 119.224 119.300 0.036 0.000 2.473 317 C HA -0.096 4.365 4.460 0.001 0.000 0.279 317 C C 2.806 177.836 174.990 0.068 0.000 1.250 317 C CA 0.846 59.896 59.018 0.053 0.000 1.713 317 C CB -1.397 26.383 27.740 0.065 0.000 2.066 317 C HN 0.072 nan 8.230 nan 0.000 0.474 318 V N 1.373 121.328 119.914 0.069 0.000 2.250 318 V HA -0.284 3.836 4.120 0.001 0.000 0.250 318 V C 2.438 178.588 176.094 0.093 0.000 1.060 318 V CA 2.601 64.951 62.300 0.084 0.000 1.030 318 V CB -1.109 30.752 31.823 0.063 0.000 0.643 318 V HN 0.613 nan 8.190 nan 0.000 0.445 319 E N -0.399 119.833 120.200 0.053 0.000 2.284 319 E HA -0.321 4.029 4.350 0.001 0.000 0.200 319 E C 1.876 178.542 176.600 0.110 0.000 1.008 319 E CA 1.552 57.980 56.400 0.047 0.000 0.829 319 E CB -0.229 29.467 29.700 -0.008 0.000 0.744 319 E HN 0.693 nan 8.360 nan 0.000 0.491 320 D N -0.452 120.001 120.400 0.088 0.000 2.103 320 D HA -0.071 4.570 4.640 0.001 0.000 0.199 320 D C 1.922 178.278 176.300 0.093 0.000 0.978 320 D CA 1.368 55.412 54.000 0.075 0.000 0.829 320 D CB -0.204 40.625 40.800 0.047 0.000 0.981 320 D HN 0.174 nan 8.370 nan 0.000 0.464 321 G N -1.027 107.842 108.800 0.116 0.000 2.920 321 G HA2 -0.157 3.804 3.960 0.001 0.000 0.208 321 G HA3 -0.157 3.804 3.960 0.001 0.000 0.208 321 G C 1.131 176.098 174.900 0.113 0.000 1.159 321 G CA -0.147 45.016 45.100 0.105 0.000 0.784 321 G HN 0.280 nan 8.290 nan 0.000 0.535 322 F N 1.932 121.887 119.950 0.008 0.000 2.271 322 F HA -0.185 4.342 4.527 0.001 0.000 0.302 322 F C 2.118 177.912 175.800 -0.009 0.000 1.063 322 F CA 1.168 59.170 58.000 0.003 0.000 1.362 322 F CB 0.084 39.083 39.000 -0.001 0.000 1.060 322 F HN 0.044 nan 8.300 nan 0.000 0.521 323 V N 0.136 119.926 119.914 -0.208 0.000 3.217 323 V HA -0.042 4.078 4.120 0.001 0.000 0.264 323 V C 1.325 177.272 176.094 -0.245 0.000 1.135 323 V CA 0.595 62.706 62.300 -0.314 0.000 1.142 323 V CB -0.707 30.996 31.823 -0.199 0.000 0.754 323 V HN 0.117 nan 8.190 nan 0.000 0.484 324 I N -0.158 120.324 120.570 -0.147 0.000 2.707 324 I HA 0.426 4.596 4.170 0.001 0.000 0.309 324 I C 0.570 176.647 176.117 -0.066 0.000 1.001 324 I CA -0.185 61.069 61.300 -0.078 0.000 1.129 324 I CB 1.988 39.990 38.000 0.003 0.000 1.308 324 I HN 0.024 nan 8.210 nan 0.000 0.466 325 Q N 2.426 122.204 119.800 -0.037 0.000 1.870 325 Q HA 0.141 4.481 4.340 0.001 0.000 0.182 325 Q C -1.872 174.132 176.000 0.007 0.000 0.779 325 Q CA -0.196 55.597 55.803 -0.017 0.000 0.912 325 Q CB 0.507 29.213 28.738 -0.053 0.000 1.234 325 Q HN 0.750 nan 8.270 nan 0.000 0.404 326 D N -2.679 117.731 120.400 0.016 0.000 2.663 326 D HA 0.139 4.780 4.640 0.001 0.000 0.233 326 D C 0.093 176.413 176.300 0.033 0.000 1.240 326 D CA -0.680 53.334 54.000 0.023 0.000 0.774 326 D CB 0.502 41.310 40.800 0.014 0.000 1.443 326 D HN -0.012 nan 8.370 nan 0.000 0.441 327 R N 0.452 120.973 120.500 0.035 0.000 2.154 327 R HA -0.203 4.138 4.340 0.001 0.000 0.248 327 R C 1.300 177.622 176.300 0.036 0.000 1.155 327 R CA 2.063 58.185 56.100 0.037 0.000 0.979 327 R CB 0.101 30.419 30.300 0.030 0.000 0.869 327 R HN 0.593 nan 8.270 nan 0.000 0.452 328 E N -1.018 119.201 120.200 0.031 0.000 1.998 328 E HA -0.156 4.194 4.350 0.001 0.000 0.196 328 E C 1.930 178.556 176.600 0.043 0.000 1.003 328 E CA 2.009 58.428 56.400 0.033 0.000 0.829 328 E CB -0.188 29.527 29.700 0.025 0.000 0.777 328 E HN 0.349 nan 8.360 nan 0.000 0.460 329 T N 1.490 116.067 114.554 0.039 0.000 2.699 329 T HA -0.244 4.106 4.350 0.001 0.000 0.268 329 T C 1.949 176.700 174.700 0.086 0.000 1.036 329 T CA 1.302 63.433 62.100 0.051 0.000 1.147 329 T CB -0.451 68.431 68.868 0.023 0.000 0.862 329 T HN 0.294 nan 8.240 nan 0.000 0.446 330 A N 1.674 124.540 122.820 0.077 0.000 1.859 330 A HA -0.140 4.180 4.320 0.001 0.000 0.218 330 A C 2.197 179.839 177.584 0.097 0.000 1.209 330 A CA 1.799 53.895 52.037 0.098 0.000 0.639 330 A CB -1.102 17.945 19.000 0.078 0.000 0.835 330 A HN 0.395 nan 8.150 nan 0.000 0.450 331 L N -0.085 121.177 121.223 0.064 0.000 2.191 331 L HA -0.150 4.191 4.340 0.001 0.000 0.212 331 L C 2.051 178.957 176.870 0.059 0.000 1.103 331 L CA 2.152 57.019 54.840 0.045 0.000 0.769 331 L CB -0.819 41.260 42.059 0.033 0.000 0.908 331 L HN 0.631 nan 8.230 nan 0.000 0.438 332 D N -0.587 119.866 120.400 0.088 0.000 2.084 332 D HA -0.260 4.380 4.640 0.001 0.000 0.196 332 D C 1.149 177.543 176.300 0.157 0.000 0.985 332 D CA 0.608 54.673 54.000 0.109 0.000 0.826 332 D CB -0.066 40.797 40.800 0.106 0.000 0.978 332 D HN 0.133 nan 8.370 nan 0.000 0.456 333 F N 1.322 121.285 119.950 0.020 0.000 2.651 333 F HA 0.290 4.818 4.527 0.001 0.000 0.367 333 F C -0.508 175.305 175.800 0.021 0.000 1.225 333 F CA 0.024 58.036 58.000 0.020 0.000 1.310 333 F CB -0.665 38.344 39.000 0.014 0.000 1.724 333 F HN 0.029 nan 8.300 nan 0.000 0.662 334 I N 2.881 123.342 120.570 -0.182 0.000 2.727 334 I HA 0.250 4.420 4.170 0.001 0.000 0.262 334 I C 0.043 176.103 176.117 -0.095 0.000 1.611 334 I CA -0.342 60.819 61.300 -0.230 0.000 0.849 334 I CB 0.304 38.215 38.000 -0.148 0.000 1.539 334 I HN 0.396 nan 8.210 nan 0.000 0.527 346 E N 0.084 120.309 120.200 0.042 0.000 4.807 346 E HA -0.420 3.930 4.350 0.001 0.000 0.171 346 E C 1.236 177.863 176.600 0.045 0.000 1.266 346 E CA 2.402 58.825 56.400 0.039 0.000 2.327 346 E CB -1.016 28.702 29.700 0.030 0.000 1.829 346 E HN 0.676 nan 8.360 nan 0.000 0.414 347 K N 1.345 121.770 120.400 0.041 0.000 2.009 347 K HA -0.202 4.118 4.320 0.001 0.000 0.210 347 K C 2.159 178.801 176.600 0.069 0.000 1.049 347 K CA 2.126 58.436 56.287 0.039 0.000 0.929 347 K CB -0.481 32.031 32.500 0.021 0.000 0.714 347 K HN 0.368 nan 8.250 nan 0.000 0.440 348 R N 1.152 121.705 120.500 0.088 0.000 2.115 348 R HA 0.020 4.361 4.340 0.001 0.000 0.230 348 R C 2.326 178.709 176.300 0.139 0.000 1.111 348 R CA 1.358 57.545 56.100 0.145 0.000 0.976 348 R CB -0.862 29.520 30.300 0.135 0.000 0.870 348 R HN 0.193 nan 8.270 nan 0.000 0.445 349 I N 1.084 121.711 120.570 0.095 0.000 2.423 349 I HA -0.257 3.913 4.170 0.001 0.000 0.254 349 I C 2.494 178.659 176.117 0.081 0.000 1.151 349 I CA 1.247 62.593 61.300 0.077 0.000 1.421 349 I CB -0.245 37.790 38.000 0.058 0.000 1.079 349 I HN 0.264 nan 8.210 nan 0.000 0.431 350 Q N 0.263 120.122 119.800 0.098 0.000 2.036 350 Q HA -0.208 4.132 4.340 0.001 0.000 0.195 350 Q C 2.123 178.214 176.000 0.152 0.000 0.971 350 Q CA 1.423 57.286 55.803 0.100 0.000 0.826 350 Q CB -0.596 28.193 28.738 0.085 0.000 0.896 350 Q HN 0.424 nan 8.270 nan 0.000 0.449 351 Y N 0.633 120.947 120.300 0.023 0.000 2.181 351 Y HA -0.364 4.187 4.550 0.001 0.000 0.279 351 Y C 1.871 177.785 175.900 0.024 0.000 1.228 351 Y CA 1.886 60.001 58.100 0.025 0.000 1.164 351 Y CB -0.958 37.521 38.460 0.032 0.000 0.959 351 Y HN 0.196 nan 8.280 nan 0.000 0.521 352 A N -0.165 122.669 122.820 0.024 0.000 1.854 352 A HA -0.156 4.164 4.320 0.001 0.000 0.214 352 A C 2.350 179.914 177.584 -0.033 0.000 1.192 352 A CA 1.619 53.607 52.037 -0.083 0.000 0.611 352 A CB -0.614 18.361 19.000 -0.040 0.000 0.832 352 A HN 0.467 nan 8.150 nan 0.000 0.442 353 K N -0.106 120.302 120.400 0.013 0.000 2.032 353 K HA -0.230 4.090 4.320 0.001 0.000 0.218 353 K C 1.739 178.347 176.600 0.013 0.000 1.054 353 K CA 1.935 58.230 56.287 0.014 0.000 0.941 353 K CB -0.444 32.074 32.500 0.031 0.000 0.720 353 K HN 0.507 nan 8.250 nan 0.000 0.449 354 D N 0.732 121.153 120.400 0.034 0.000 2.106 354 D HA -0.193 4.448 4.640 0.001 0.000 0.191 354 D C 1.989 178.295 176.300 0.009 0.000 0.997 354 D CA 1.369 55.390 54.000 0.035 0.000 0.834 354 D CB -0.359 40.483 40.800 0.069 0.000 0.956 354 D HN 0.245 nan 8.370 nan 0.000 0.448 355 I N 0.778 121.332 120.570 -0.028 0.000 2.315 355 I HA -0.237 3.933 4.170 0.001 0.000 0.251 355 I C 2.172 178.306 176.117 0.030 0.000 1.125 355 I CA 0.711 61.976 61.300 -0.058 0.000 1.392 355 I CB -0.142 37.754 38.000 -0.174 0.000 1.065 355 I HN -0.027 nan 8.210 nan 0.000 0.424 356 L N -0.317 120.917 121.223 0.019 0.000 2.591 356 L HA -0.017 4.323 4.340 0.001 0.000 0.228 356 L C 2.018 178.891 176.870 0.005 0.000 1.133 356 L CA 0.406 55.254 54.840 0.014 0.000 0.880 356 L CB -0.085 41.925 42.059 -0.082 0.000 1.033 356 L HN 0.322 nan 8.230 nan 0.000 0.450 357 Q N -1.094 118.725 119.800 0.032 0.000 2.580 357 Q HA 0.064 4.404 4.340 0.001 0.000 0.239 357 Q C 1.611 177.639 176.000 0.046 0.000 0.873 357 Q CA 0.174 55.996 55.803 0.032 0.000 0.951 357 Q CB 0.565 29.317 28.738 0.024 0.000 1.172 357 Q HN 0.256 nan 8.270 nan 0.000 0.616 358 K N 0.120 120.547 120.400 0.045 0.000 2.334 358 K HA 0.061 4.381 4.320 0.001 0.000 0.195 358 K C 1.245 177.899 176.600 0.089 0.000 1.045 358 K CA 0.581 56.901 56.287 0.055 0.000 1.004 358 K CB 0.628 33.156 32.500 0.045 0.000 0.837 358 K HN 0.072 nan 8.250 nan 0.000 0.510 359 E N -0.183 120.058 120.200 0.068 0.000 2.399 359 E HA 0.051 4.401 4.350 0.001 0.000 0.205 359 E C -0.058 176.615 176.600 0.122 0.000 0.906 359 E CA -0.128 56.306 56.400 0.056 0.000 0.998 359 E CB 0.289 29.939 29.700 -0.083 0.000 1.002 359 E HN 0.089 nan 8.360 nan 0.000 0.501 360 F N 2.484 122.438 119.950 0.007 0.000 2.445 360 F HA 0.131 4.658 4.527 0.001 0.000 0.359 360 F C 0.799 176.632 175.800 0.054 0.000 1.101 360 F CA -0.800 57.216 58.000 0.026 0.000 1.177 360 F CB 0.545 39.550 39.000 0.007 0.000 1.110 360 F HN -0.146 nan 8.300 nan 0.000 0.522 361 L N 8.969 130.223 121.223 0.051 0.000 3.941 361 L HA -0.232 4.108 4.340 0.001 0.000 0.455 361 L C -1.520 175.487 176.870 0.228 0.000 1.179 361 L CA 0.200 55.167 54.840 0.212 0.000 0.782 361 L CB -1.071 41.228 42.059 0.401 0.000 1.679 361 L HN 0.575 nan 8.230 nan 0.000 0.871 362 P HA -0.229 nan 4.420 nan 0.000 0.219 362 P C 0.757 178.117 177.300 0.100 0.000 1.145 362 P CA 1.975 65.158 63.100 0.137 0.000 0.813 362 P CB -0.489 31.309 31.700 0.164 0.000 0.771 363 H N -1.106 117.967 119.070 0.005 0.000 2.548 363 H HA 0.224 4.781 4.556 0.001 0.000 0.366 363 H C 1.558 176.836 175.328 -0.083 0.000 1.433 363 H CA -0.201 55.826 56.048 -0.034 0.000 1.443 363 H CB 0.626 30.372 29.762 -0.027 0.000 1.594 363 H HN -0.037 nan 8.280 nan 0.000 0.608 364 I N -1.740 118.611 120.570 -0.364 0.000 4.801 364 I HA -0.357 3.813 4.170 0.001 0.000 0.040 364 I C -0.135 175.787 176.117 -0.324 0.000 0.632 364 I CA 1.851 62.889 61.300 -0.437 0.000 0.573 364 I CB -1.282 36.345 38.000 -0.621 0.000 0.559 364 I HN 0.825 nan 8.210 nan 0.000 0.153 365 T N -0.277 114.096 114.554 -0.301 0.000 3.168 365 T HA 0.304 4.654 4.350 0.001 0.000 0.373 365 T C -0.657 173.938 174.700 -0.175 0.000 1.681 365 T CA -0.422 61.490 62.100 -0.314 0.000 1.135 365 T CB 1.858 70.324 68.868 -0.670 0.000 1.477 365 T HN 0.375 nan 8.240 nan 0.000 0.480 366 Q N 1.678 121.403 119.800 -0.126 0.000 2.246 366 Q HA 0.353 4.693 4.340 0.001 0.000 0.222 366 Q C 1.514 177.494 176.000 -0.034 0.000 0.851 366 Q CA -0.125 55.648 55.803 -0.050 0.000 0.945 366 Q CB 0.500 29.217 28.738 -0.036 0.000 1.122 366 Q HN 0.564 nan 8.270 nan 0.000 0.508 367 L N 0.579 121.764 121.223 -0.063 0.000 1.938 367 L HA -0.209 4.131 4.340 0.001 0.000 0.244 367 L C 1.622 178.530 176.870 0.063 0.000 1.070 367 L CA 1.627 56.467 54.840 -0.000 0.000 0.916 367 L CB -0.298 41.762 42.059 0.003 0.000 0.927 367 L HN 0.212 nan 8.230 nan 0.000 0.437 368 E N -1.769 118.525 120.200 0.156 0.000 3.875 368 E HA 0.083 4.433 4.350 0.001 0.000 0.239 368 E C 1.175 177.895 176.600 0.200 0.000 1.293 368 E CA 0.401 56.886 56.400 0.142 0.000 1.646 368 E CB 0.099 29.853 29.700 0.089 0.000 1.954 368 E HN 0.469 nan 8.360 nan 0.000 0.686 369 G N 0.966 109.873 108.800 0.178 0.000 3.211 369 G HA2 0.001 3.962 3.960 0.001 0.000 0.235 369 G HA3 0.001 3.962 3.960 0.001 0.000 0.235 369 G C -0.308 174.455 174.900 -0.229 0.000 1.032 369 G CA 0.484 45.576 45.100 -0.013 0.000 1.819 369 G HN 0.061 nan 8.290 nan 0.000 0.590 370 F N -0.859 119.080 119.950 -0.020 0.000 2.777 370 F HA 0.289 4.817 4.527 0.001 0.000 0.361 370 F C 1.205 176.992 175.800 -0.021 0.000 1.254 370 F CA -0.673 57.314 58.000 -0.022 0.000 1.181 370 F CB 0.902 39.883 39.000 -0.031 0.000 1.082 370 F HN 0.065 nan 8.300 nan 0.000 0.510 371 E N 0.244 120.491 120.200 0.079 0.000 2.160 371 E HA -0.172 4.178 4.350 0.001 0.000 0.195 371 E C 2.303 178.941 176.600 0.062 0.000 0.991 371 E CA 1.780 58.200 56.400 0.033 0.000 0.810 371 E CB -0.292 29.412 29.700 0.007 0.000 0.742 371 E HN 0.364 nan 8.360 nan 0.000 0.466 372 S N -0.218 115.534 115.700 0.086 0.000 2.414 372 S HA -0.036 4.435 4.470 0.001 0.000 0.227 372 S C 2.012 176.772 174.600 0.268 0.000 1.022 372 S CA 0.581 58.887 58.200 0.178 0.000 0.958 372 S CB -0.048 63.248 63.200 0.161 0.000 0.797 372 S HN 0.067 nan 8.310 nan 0.000 0.493 373 R N 1.231 121.838 120.500 0.178 0.000 2.115 373 R HA 0.148 4.489 4.340 0.001 0.000 0.226 373 R C 2.325 178.777 176.300 0.253 0.000 1.100 373 R CA 1.105 57.309 56.100 0.174 0.000 0.980 373 R CB -0.063 30.359 30.300 0.204 0.000 0.875 373 R HN 0.410 nan 8.270 nan 0.000 0.445 374 K N -0.409 120.114 120.400 0.205 0.000 2.062 374 K HA -0.015 4.306 4.320 0.001 0.000 0.205 374 K C 2.028 178.809 176.600 0.302 0.000 1.051 374 K CA 1.087 57.499 56.287 0.209 0.000 0.941 374 K CB -0.014 32.496 32.500 0.017 0.000 0.719 374 K HN 0.120 nan 8.250 nan 0.000 0.440 375 A N 1.085 124.037 122.820 0.220 0.000 1.865 375 A HA -0.166 4.154 4.320 0.001 0.000 0.217 375 A C 1.895 179.735 177.584 0.426 0.000 1.191 375 A CA 1.376 53.560 52.037 0.245 0.000 0.623 375 A CB -0.924 18.136 19.000 0.099 0.000 0.826 375 A HN 0.226 nan 8.150 nan 0.000 0.444 376 F N -1.803 118.372 119.950 0.374 0.000 2.307 376 F HA -0.139 4.388 4.527 0.001 0.000 0.301 376 F C 1.886 178.221 175.800 0.892 0.000 1.076 376 F CA 1.314 59.680 58.000 0.610 0.000 1.383 376 F CB -0.336 38.832 39.000 0.281 0.000 1.055 376 F HN 0.321 nan 8.300 nan 0.000 0.526 377 F N -0.436 119.947 119.950 0.721 0.000 2.147 377 F HA -0.060 4.468 4.527 0.001 0.000 0.291 377 F C 2.183 178.279 175.800 0.495 0.000 1.093 377 F CA 0.691 59.082 58.000 0.651 0.000 1.263 377 F CB -0.755 38.551 39.000 0.509 0.000 1.036 377 F HN -0.132 nan 8.300 nan 0.000 0.481 378 L N 0.528 122.063 121.223 0.520 0.000 2.263 378 L HA -0.074 4.267 4.340 0.001 0.000 0.216 378 L C 2.044 179.046 176.870 0.220 0.000 1.111 378 L CA 2.100 57.094 54.840 0.258 0.000 0.773 378 L CB -1.608 40.502 42.059 0.085 0.000 0.906 378 L HN 0.200 nan 8.230 nan 0.000 0.439 379 G N -1.799 107.263 108.800 0.436 0.000 2.404 379 G HA2 -0.323 3.637 3.960 0.001 0.000 0.213 379 G HA3 -0.323 3.637 3.960 0.001 0.000 0.213 379 G C 1.469 176.581 174.900 0.353 0.000 1.189 379 G CA 0.559 45.961 45.100 0.503 0.000 0.796 379 G HN 0.489 nan 8.290 nan 0.000 0.532 380 Y N 0.931 121.383 120.300 0.254 0.000 2.365 380 Y HA -0.070 4.481 4.550 0.001 0.000 0.287 380 Y C 2.585 178.390 175.900 -0.158 0.000 1.162 380 Y CA 1.305 59.400 58.100 -0.008 0.000 1.260 380 Y CB -0.083 38.241 38.460 -0.226 0.000 0.976 380 Y HN 0.153 nan 8.280 nan 0.000 0.548 381 M N -1.138 118.342 119.600 -0.199 0.000 2.155 381 M HA -0.090 4.390 4.480 0.001 0.000 0.258 381 M C 2.086 178.273 176.300 -0.189 0.000 1.092 381 M CA 1.415 56.545 55.300 -0.285 0.000 1.153 381 M CB -0.295 32.203 32.600 -0.169 0.000 1.316 381 M HN 0.120 nan 8.290 nan 0.000 0.431 382 I N 0.716 121.251 120.570 -0.058 0.000 2.381 382 I HA -0.350 3.820 4.170 0.001 0.000 0.255 382 I C 1.945 178.021 176.117 -0.068 0.000 1.140 382 I CA 1.160 62.448 61.300 -0.021 0.000 1.404 382 I CB -0.851 37.197 38.000 0.080 0.000 1.075 382 I HN 0.442 nan 8.210 nan 0.000 0.433 383 N N 1.175 119.806 118.700 -0.115 0.000 2.063 383 N HA -0.168 4.572 4.740 0.001 0.000 0.192 383 N C 1.964 177.345 175.510 -0.215 0.000 1.071 383 N CA 1.305 54.247 53.050 -0.180 0.000 0.858 383 N CB -0.040 38.298 38.487 -0.248 0.000 1.050 383 N HN -0.044 nan 8.380 nan 0.000 0.434 384 R N 0.193 120.489 120.500 -0.339 0.000 2.224 384 R HA -0.237 4.103 4.340 0.001 0.000 0.255 384 R C 2.196 178.375 176.300 -0.203 0.000 1.130 384 R CA 1.554 57.458 56.100 -0.326 0.000 0.957 384 R CB -1.720 28.287 30.300 -0.489 0.000 0.907 384 R HN 0.463 nan 8.270 nan 0.000 0.446 385 L N 1.005 122.119 121.223 -0.181 0.000 1.991 385 L HA -0.241 4.100 4.340 0.001 0.000 0.221 385 L C 2.419 179.257 176.870 -0.053 0.000 1.079 385 L CA 1.880 56.661 54.840 -0.099 0.000 0.778 385 L CB -0.537 41.477 42.059 -0.076 0.000 0.893 385 L HN 0.163 nan 8.230 nan 0.000 0.437 386 L N -1.777 119.402 121.223 -0.073 0.000 2.005 386 L HA -0.234 4.107 4.340 0.001 0.000 0.207 386 L C 2.503 179.336 176.870 -0.062 0.000 1.072 386 L CA 1.004 55.803 54.840 -0.068 0.000 0.744 386 L CB -0.745 41.268 42.059 -0.076 0.000 0.895 386 L HN 0.249 nan 8.230 nan 0.000 0.433 387 L N -0.389 120.784 121.223 -0.082 0.000 2.171 387 L HA -0.353 3.987 4.340 0.001 0.000 0.216 387 L C 2.713 179.560 176.870 -0.038 0.000 1.084 387 L CA 1.794 56.592 54.840 -0.071 0.000 0.771 387 L CB -0.929 41.078 42.059 -0.088 0.000 0.890 387 L HN 0.479 nan 8.230 nan 0.000 0.437 388 C N -1.223 118.070 119.300 -0.012 0.000 2.522 388 C HA 0.098 4.559 4.460 0.001 0.000 0.280 388 C C 2.949 178.012 174.990 0.122 0.000 1.303 388 C CA 0.380 59.425 59.018 0.044 0.000 1.709 388 C CB -0.989 26.779 27.740 0.048 0.000 2.071 388 C HN 0.566 nan 8.230 nan 0.000 0.492 389 A N 0.083 122.981 122.820 0.130 0.000 2.234 389 A HA 0.069 4.389 4.320 0.001 0.000 0.216 389 A C 1.424 178.985 177.584 -0.039 0.000 1.167 389 A CA 1.183 53.209 52.037 -0.018 0.000 0.698 389 A CB -0.563 18.300 19.000 -0.228 0.000 0.779 389 A HN 0.726 nan 8.150 nan 0.000 0.475 390 L N -0.729 120.478 121.223 -0.027 0.000 3.141 390 L HA 0.197 4.538 4.340 0.001 0.000 0.267 390 L C -0.830 176.022 176.870 -0.031 0.000 1.281 390 L CA -0.520 54.287 54.840 -0.055 0.000 1.037 390 L CB -0.382 41.621 42.059 -0.092 0.000 1.407 390 L HN 0.136 nan 8.230 nan 0.000 0.566 391 D N 1.527 121.931 120.400 0.005 0.000 2.916 391 D HA -0.218 4.422 4.640 0.001 0.000 0.211 391 D C 1.142 177.438 176.300 -0.007 0.000 1.260 391 D CA 0.747 54.752 54.000 0.009 0.000 0.711 391 D CB -0.200 40.605 40.800 0.009 0.000 0.915 391 D HN 0.402 nan 8.370 nan 0.000 0.391 392 R N -0.097 120.397 120.500 -0.011 0.000 2.412 392 R HA 0.157 4.498 4.340 0.001 0.000 0.212 392 R C 0.192 176.486 176.300 -0.010 0.000 0.878 392 R CA 0.003 56.094 56.100 -0.015 0.000 1.022 392 R CB 0.744 31.028 30.300 -0.027 0.000 1.265 392 R HN -0.087 nan 8.270 nan 0.000 0.620 393 K N 1.677 122.069 120.400 -0.014 0.000 2.541 393 K HA 0.216 4.536 4.320 0.001 0.000 0.250 393 K C -1.255 175.337 176.600 -0.013 0.000 0.950 393 K CA -0.451 55.826 56.287 -0.016 0.000 0.805 393 K CB 2.095 34.574 32.500 -0.035 0.000 1.166 393 K HN 0.022 nan 8.250 nan 0.000 0.430 394 D N 1.672 122.070 120.400 -0.003 0.000 2.341 394 D HA -0.119 4.521 4.640 0.001 0.000 0.235 394 D C 0.616 176.913 176.300 -0.004 0.000 1.265 394 D CA 0.560 54.561 54.000 0.003 0.000 0.888 394 D CB 0.839 41.650 40.800 0.019 0.000 1.192 394 D HN 0.365 nan 8.370 nan 0.000 0.462 395 Q N 0.400 120.203 119.800 0.005 0.000 2.417 395 Q HA -0.008 4.332 4.340 0.001 0.000 0.241 395 Q C -0.515 175.533 176.000 0.080 0.000 1.008 395 Q CA -0.275 55.547 55.803 0.032 0.000 0.901 395 Q CB 0.762 29.530 28.738 0.049 0.000 1.259 395 Q HN 0.279 nan 8.270 nan 0.000 0.489 396 D N 1.790 122.266 120.400 0.127 0.000 2.345 396 D HA 0.024 4.665 4.640 0.001 0.000 0.247 396 D C -0.881 175.565 176.300 0.243 0.000 1.108 396 D CA 0.155 54.238 54.000 0.137 0.000 0.894 396 D CB 0.830 41.636 40.800 0.011 0.000 1.203 396 D HN 0.511 nan 8.370 nan 0.000 0.430 397 D N 1.921 122.422 120.400 0.168 0.000 2.317 397 D HA 0.049 4.689 4.640 0.001 0.000 0.252 397 D C 0.715 177.092 176.300 0.129 0.000 1.174 397 D CA -0.246 53.843 54.000 0.147 0.000 0.866 397 D CB 0.730 41.630 40.800 0.167 0.000 1.127 397 D HN 0.253 nan 8.370 nan 0.000 0.467 398 R N 2.052 122.605 120.500 0.088 0.000 2.299 398 R HA 0.010 4.351 4.340 0.001 0.000 0.197 398 R C -0.080 176.224 176.300 0.007 0.000 0.971 398 R CA 0.493 56.630 56.100 0.062 0.000 1.030 398 R CB 0.478 30.775 30.300 -0.005 0.000 0.932 398 R HN 0.389 nan 8.270 nan 0.000 0.477 399 D N -0.324 120.042 120.400 -0.058 0.000 2.772 399 D HA 0.006 4.647 4.640 0.001 0.000 0.272 399 D C -0.525 175.439 176.300 -0.559 0.000 1.314 399 D CA -0.025 53.863 54.000 -0.186 0.000 0.835 399 D CB 0.231 40.965 40.800 -0.111 0.000 1.080 399 D HN 0.101 nan 8.370 nan 0.000 0.482 400 H N 1.053 119.888 119.070 -0.391 0.000 2.741 400 H HA 0.046 4.602 4.556 0.001 0.000 0.282 400 H C 0.813 176.062 175.328 -0.132 0.000 1.122 400 H CA -0.734 55.100 56.048 -0.357 0.000 1.293 400 H CB 0.044 29.728 29.762 -0.130 0.000 1.415 400 H HN -0.081 nan 8.280 nan 0.000 0.472 401 F N 3.985 123.842 119.950 -0.155 0.000 2.135 401 F HA -0.221 4.306 4.527 0.001 0.000 0.300 401 F C 2.364 178.201 175.800 0.062 0.000 1.074 401 F CA 2.085 60.057 58.000 -0.046 0.000 1.262 401 F CB -0.705 38.266 39.000 -0.047 0.000 1.013 401 F HN 0.722 nan 8.300 nan 0.000 0.489 402 G N -0.795 108.177 108.800 0.287 0.000 2.499 402 G HA2 -0.277 3.683 3.960 0.001 0.000 0.221 402 G HA3 -0.277 3.683 3.960 0.001 0.000 0.221 402 G C 1.445 176.237 174.900 -0.180 0.000 1.109 402 G CA 0.732 45.843 45.100 0.018 0.000 0.749 402 G HN 0.379 nan 8.290 nan 0.000 0.568 403 K N 0.135 120.436 120.400 -0.165 0.000 2.576 403 K HA 0.206 4.527 4.320 0.001 0.000 0.209 403 K C -0.140 176.359 176.600 -0.168 0.000 1.049 403 K CA -0.103 56.065 56.287 -0.199 0.000 1.140 403 K CB 0.601 33.004 32.500 -0.161 0.000 0.871 403 K HN 0.055 nan 8.250 nan 0.000 0.479 404 K N 1.341 121.606 120.400 -0.226 0.000 2.259 404 K HA 0.415 4.735 4.320 0.001 0.000 0.252 404 K C -0.394 176.017 176.600 -0.315 0.000 0.936 404 K CA -0.889 55.250 56.287 -0.246 0.000 0.810 404 K CB 2.054 34.376 32.500 -0.296 0.000 1.143 404 K HN -0.120 nan 8.250 nan 0.000 0.427 405 R N 2.543 122.917 120.500 -0.210 0.000 2.502 405 R HA 0.384 4.724 4.340 0.001 0.000 0.300 405 R C -0.406 175.823 176.300 -0.118 0.000 0.984 405 R CA -0.638 55.357 56.100 -0.174 0.000 0.882 405 R CB 0.952 31.178 30.300 -0.123 0.000 1.180 405 R HN 0.545 nan 8.270 nan 0.000 0.444 406 L N 3.661 124.815 121.223 -0.116 0.000 2.358 406 L HA 0.236 4.577 4.340 0.001 0.000 0.274 406 L C 0.068 176.919 176.870 -0.031 0.000 1.136 406 L CA -0.634 54.172 54.840 -0.057 0.000 0.970 406 L CB 0.252 42.287 42.059 -0.040 0.000 1.314 406 L HN 0.271 nan 8.230 nan 0.000 0.427 407 D N 2.046 122.434 120.400 -0.020 0.000 2.506 407 D HA 0.181 4.821 4.640 0.001 0.000 0.234 407 D C 0.007 176.310 176.300 0.005 0.000 1.143 407 D CA 0.416 54.418 54.000 0.005 0.000 0.871 407 D CB 1.951 42.760 40.800 0.016 0.000 1.190 407 D HN 0.133 nan 8.370 nan 0.000 0.459 408 L N 0.877 122.117 121.223 0.029 0.000 2.177 408 L HA 0.490 4.830 4.340 0.001 0.000 0.255 408 L C 1.469 178.373 176.870 0.057 0.000 1.065 408 L CA -0.437 54.421 54.840 0.031 0.000 0.982 408 L CB 0.622 42.704 42.059 0.039 0.000 1.559 408 L HN 0.386 nan 8.230 nan 0.000 0.492 409 A N 0.077 122.942 122.820 0.076 0.000 1.940 409 A HA -0.189 4.131 4.320 0.001 0.000 0.221 409 A C 1.739 179.400 177.584 0.129 0.000 1.190 409 A CA 2.553 54.663 52.037 0.121 0.000 0.647 409 A CB -1.662 17.457 19.000 0.199 0.000 0.821 409 A HN 0.898 nan 8.150 nan 0.000 0.457 410 G N -0.646 108.240 108.800 0.142 0.000 2.605 410 G HA2 -0.024 3.936 3.960 0.001 0.000 0.215 410 G HA3 -0.024 3.936 3.960 0.001 0.000 0.215 410 G C -0.254 174.646 174.900 0.001 0.000 1.279 410 G CA 1.018 46.169 45.100 0.086 0.000 0.831 410 G HN 0.436 nan 8.290 nan 0.000 0.560 411 P HA -0.164 nan 4.420 nan 0.000 0.221 411 P C 1.979 179.346 177.300 0.112 0.000 1.153 411 P CA 1.003 64.178 63.100 0.126 0.000 0.858 411 P CB -0.108 31.656 31.700 0.106 0.000 0.783 412 L N -1.855 119.438 121.223 0.116 0.000 1.976 412 L HA -0.179 4.161 4.340 0.001 0.000 0.209 412 L C 2.489 179.449 176.870 0.149 0.000 1.071 412 L CA 1.481 56.485 54.840 0.275 0.000 0.746 412 L CB -1.067 41.198 42.059 0.343 0.000 0.890 412 L HN -0.041 nan 8.230 nan 0.000 0.432 413 L N -0.505 120.649 121.223 -0.116 0.000 2.127 413 L HA -0.242 4.099 4.340 0.001 0.000 0.211 413 L C 2.817 179.542 176.870 -0.241 0.000 1.089 413 L CA 0.993 55.602 54.840 -0.386 0.000 0.757 413 L CB -0.850 40.705 42.059 -0.841 0.000 0.899 413 L HN 0.293 nan 8.230 nan 0.000 0.434 414 A N -0.137 122.608 122.820 -0.125 0.000 1.837 414 A HA -0.352 3.968 4.320 0.001 0.000 0.216 414 A C 2.216 179.913 177.584 0.188 0.000 1.210 414 A CA 2.134 54.354 52.037 0.305 0.000 0.632 414 A CB -0.971 18.215 19.000 0.310 0.000 0.843 414 A HN 0.457 nan 8.150 nan 0.000 0.448 415 Q N -0.786 119.089 119.800 0.125 0.000 2.182 415 Q HA -0.257 4.084 4.340 0.001 0.000 0.213 415 Q C 2.071 178.079 176.000 0.013 0.000 1.000 415 Q CA 2.057 57.913 55.803 0.089 0.000 0.889 415 Q CB -0.299 28.521 28.738 0.137 0.000 0.932 415 Q HN 0.704 nan 8.270 nan 0.000 0.415 416 L N -0.715 120.454 121.223 -0.091 0.000 1.961 416 L HA -0.185 4.155 4.340 0.001 0.000 0.209 416 L C 2.340 179.235 176.870 0.043 0.000 1.075 416 L CA 1.159 55.879 54.840 -0.200 0.000 0.749 416 L CB -0.636 41.145 42.059 -0.463 0.000 0.890 416 L HN 0.312 nan 8.230 nan 0.000 0.433 417 F N 1.154 121.077 119.950 -0.046 0.000 2.085 417 F HA -0.320 4.207 4.527 0.000 0.000 0.299 417 F C 2.455 178.305 175.800 0.083 0.000 1.096 417 F CA 1.678 59.708 58.000 0.050 0.000 1.227 417 F CB -0.531 38.580 39.000 0.183 0.000 0.983 417 F HN 0.010 nan 8.300 nan 0.000 0.482 418 K N -0.572 119.912 120.400 0.140 0.000 1.965 418 K HA -0.184 4.136 4.320 0.001 0.000 0.220 418 K C 1.800 178.407 176.600 0.012 0.000 1.046 418 K CA 2.418 58.715 56.287 0.016 0.000 0.974 418 K CB -0.950 31.563 32.500 0.022 0.000 0.738 418 K HN 0.161 nan 8.250 nan 0.000 0.444 419 T N 2.077 116.637 114.554 0.010 0.000 2.896 419 T HA -0.157 4.193 4.350 0.001 0.000 0.270 419 T C 1.701 176.395 174.700 -0.010 0.000 1.104 419 T CA 1.035 63.126 62.100 -0.014 0.000 1.115 419 T CB -0.093 68.763 68.868 -0.020 0.000 0.843 419 T HN 0.152 nan 8.240 nan 0.000 0.523 420 L N -1.012 120.239 121.223 0.046 0.000 2.269 420 L HA 0.216 4.556 4.340 0.001 0.000 0.200 420 L C 2.144 179.089 176.870 0.125 0.000 1.069 420 L CA 0.496 55.384 54.840 0.080 0.000 0.804 420 L CB -0.333 41.807 42.059 0.136 0.000 0.987 420 L HN 0.165 nan 8.230 nan 0.000 0.468 421 F N 1.579 121.501 119.950 -0.048 0.000 2.269 421 F HA -0.172 4.356 4.527 0.001 0.000 0.301 421 F C 2.179 177.873 175.800 -0.176 0.000 1.082 421 F CA 1.415 59.318 58.000 -0.160 0.000 1.360 421 F CB -0.281 38.431 39.000 -0.479 0.000 1.041 421 F HN -0.099 nan 8.300 nan 0.000 0.512 422 K N -0.033 120.176 120.400 -0.317 0.000 2.288 422 K HA -0.116 4.204 4.320 0.001 0.000 0.201 422 K C 2.027 178.477 176.600 -0.250 0.000 1.048 422 K CA 0.804 56.850 56.287 -0.401 0.000 0.956 422 K CB -0.101 32.242 32.500 -0.262 0.000 0.746 422 K HN 0.200 nan 8.250 nan 0.000 0.461 423 K N 0.755 121.075 120.400 -0.134 0.000 2.366 423 K HA -0.037 4.283 4.320 0.001 0.000 0.198 423 K C 1.807 178.376 176.600 -0.052 0.000 1.044 423 K CA 0.265 56.506 56.287 -0.076 0.000 0.973 423 K CB 0.216 32.694 32.500 -0.037 0.000 0.767 423 K HN -0.002 nan 8.250 nan 0.000 0.475 424 L N 0.213 121.401 121.223 -0.058 0.000 2.145 424 L HA 0.001 4.341 4.340 0.001 0.000 0.201 424 L C 1.818 178.656 176.870 -0.053 0.000 1.075 424 L CA 1.746 56.590 54.840 0.006 0.000 0.773 424 L CB -0.492 41.646 42.059 0.133 0.000 0.936 424 L HN -0.049 nan 8.230 nan 0.000 0.451 425 T N 0.513 114.912 114.554 -0.258 0.000 2.881 425 T HA -0.161 4.189 4.350 0.001 0.000 0.270 425 T C 1.276 175.874 174.700 -0.170 0.000 1.068 425 T CA 1.634 63.556 62.100 -0.296 0.000 1.131 425 T CB -0.258 68.225 68.868 -0.641 0.000 0.871 425 T HN 0.506 nan 8.240 nan 0.000 0.479 426 K N 0.128 120.437 120.400 -0.151 0.000 2.576 426 K HA 0.256 4.576 4.320 0.001 0.000 0.209 426 K C 0.478 177.101 176.600 0.039 0.000 1.049 426 K CA -0.010 56.214 56.287 -0.105 0.000 1.140 426 K CB 0.559 32.968 32.500 -0.151 0.000 0.871 426 K HN 0.024 nan 8.250 nan 0.000 0.479 427 D N 0.379 120.825 120.400 0.077 0.000 2.415 427 D HA 0.196 4.836 4.640 0.001 0.000 0.269 427 D C 1.551 177.950 176.300 0.165 0.000 1.099 427 D CA 0.135 54.201 54.000 0.111 0.000 0.865 427 D CB 0.509 41.351 40.800 0.070 0.000 1.359 427 D HN 0.192 nan 8.370 nan 0.000 0.506 428 I N 0.783 121.456 120.570 0.173 0.000 2.493 428 I HA -0.205 3.965 4.170 0.001 0.000 0.254 428 I C 2.086 178.385 176.117 0.304 0.000 1.160 428 I CA 0.658 62.083 61.300 0.208 0.000 1.445 428 I CB -0.080 38.056 38.000 0.227 0.000 1.086 428 I HN -0.065 nan 8.210 nan 0.000 0.433 429 F N 1.657 121.659 119.950 0.087 0.000 2.146 429 F HA -0.076 4.451 4.527 0.001 0.000 0.298 429 F C 2.349 178.201 175.800 0.087 0.000 1.096 429 F CA 1.362 59.407 58.000 0.075 0.000 1.275 429 F CB -0.271 38.752 39.000 0.039 0.000 1.008 429 F HN -0.105 nan 8.300 nan 0.000 0.480 430 R N -1.594 119.061 120.500 0.259 0.000 2.346 430 R HA -0.144 4.197 4.340 0.001 0.000 0.199 430 R C 1.070 177.471 176.300 0.168 0.000 1.015 430 R CA 0.461 56.659 56.100 0.163 0.000 1.058 430 R CB -0.417 29.972 30.300 0.148 0.000 0.921 430 R HN 0.378 nan 8.270 nan 0.000 0.475 431 Y N -0.222 120.101 120.300 0.037 0.000 2.539 431 Y HA 0.130 4.680 4.550 0.000 0.000 0.284 431 Y C 1.928 177.818 175.900 -0.016 0.000 1.134 431 Y CA 0.518 58.630 58.100 0.021 0.000 1.251 431 Y CB 0.306 38.792 38.460 0.042 0.000 1.260 431 Y HN -0.162 nan 8.280 nan 0.000 0.528 432 M N -0.120 119.516 119.600 0.060 0.000 2.123 432 M HA -0.180 4.300 4.480 0.001 0.000 0.263 432 M C 1.732 177.941 176.300 -0.151 0.000 1.069 432 M CA 1.602 56.861 55.300 -0.068 0.000 1.133 432 M CB -0.403 32.153 32.600 -0.074 0.000 1.356 432 M HN 0.154 nan 8.290 nan 0.000 0.415 433 Q N 0.200 119.890 119.800 -0.184 0.000 2.576 433 Q HA -0.113 4.227 4.340 0.001 0.000 0.218 433 Q C 1.511 177.440 176.000 -0.117 0.000 0.983 433 Q CA 0.846 56.545 55.803 -0.174 0.000 0.920 433 Q CB -0.054 28.580 28.738 -0.173 0.000 0.973 433 Q HN 0.507 nan 8.270 nan 0.000 0.528 434 R N -1.157 119.266 120.500 -0.129 0.000 2.369 434 R HA 0.094 4.435 4.340 0.001 0.000 0.210 434 R C 0.356 176.557 176.300 -0.165 0.000 0.881 434 R CA 0.118 56.142 56.100 -0.127 0.000 1.031 434 R CB 0.732 30.961 30.300 -0.119 0.000 1.184 434 R HN -0.082 nan 8.270 nan 0.000 0.581 435 T N 2.155 116.580 114.554 -0.214 0.000 3.416 435 T HA 0.018 4.369 4.350 0.001 0.000 0.247 435 T C 1.260 175.884 174.700 -0.127 0.000 0.973 435 T CA 0.093 62.067 62.100 -0.210 0.000 1.166 435 T CB 0.440 69.174 68.868 -0.223 0.000 1.040 435 T HN -0.070 nan 8.240 nan 0.000 0.746 436 V N 2.203 122.054 119.914 -0.104 0.000 3.186 436 V HA -0.083 4.037 4.120 0.001 0.000 0.270 436 V C 1.539 177.596 176.094 -0.062 0.000 1.149 436 V CA 1.151 63.408 62.300 -0.073 0.000 1.160 436 V CB -0.790 30.997 31.823 -0.059 0.000 0.758 436 V HN 0.755 nan 8.190 nan 0.000 0.516 447 A N 0.082 122.627 122.820 -0.459 0.000 3.410 447 A HA -0.159 4.161 4.320 0.001 0.000 0.253 447 A C 0.134 177.562 177.584 -0.260 0.000 1.178 447 A CA 1.403 53.019 52.037 -0.700 0.000 1.334 447 A CB -2.265 15.779 19.000 -1.593 0.000 1.097 447 A HN 0.560 nan 8.150 nan 0.000 0.921 448 I N 1.103 121.606 120.570 -0.112 0.000 2.460 448 I HA 0.194 4.364 4.170 0.001 0.000 0.277 448 I C 0.360 176.498 176.117 0.036 0.000 1.057 448 I CA -0.503 60.797 61.300 -0.001 0.000 1.179 448 I CB 1.001 39.029 38.000 0.048 0.000 1.329 448 I HN 0.336 nan 8.210 nan 0.000 0.478 449 N N 4.675 123.396 118.700 0.035 0.000 3.027 449 N HA 0.110 4.850 4.740 0.001 0.000 0.309 449 N C 1.439 176.978 175.510 0.049 0.000 1.222 449 N CA 0.169 53.251 53.050 0.054 0.000 1.187 449 N CB 0.596 39.112 38.487 0.049 0.000 1.458 449 N HN 0.679 nan 8.380 nan 0.000 0.535 450 A N 2.131 124.978 122.820 0.045 0.000 2.148 450 A HA -0.245 4.075 4.320 0.001 0.000 0.222 450 A C 2.148 179.706 177.584 -0.043 0.000 1.161 450 A CA 1.333 53.324 52.037 -0.077 0.000 0.662 450 A CB -0.514 18.316 19.000 -0.284 0.000 0.799 450 A HN 0.684 nan 8.150 nan 0.000 0.466 451 K N -0.654 119.778 120.400 0.052 0.000 2.147 451 K HA -0.138 4.182 4.320 0.001 0.000 0.205 451 K C 1.887 178.505 176.600 0.031 0.000 1.049 451 K CA 1.662 57.986 56.287 0.061 0.000 0.936 451 K CB -0.389 32.157 32.500 0.078 0.000 0.722 451 K HN 0.469 nan 8.250 nan 0.000 0.446 452 T N 2.084 116.655 114.554 0.028 0.000 2.592 452 T HA -0.241 4.109 4.350 0.001 0.000 0.267 452 T C 1.849 176.559 174.700 0.016 0.000 1.060 452 T CA 2.138 64.253 62.100 0.024 0.000 1.167 452 T CB -0.266 68.623 68.868 0.034 0.000 0.863 452 T HN 0.225 nan 8.240 nan 0.000 0.431 453 I N 0.776 121.354 120.570 0.013 0.000 2.133 453 I HA -0.173 3.998 4.170 0.001 0.000 0.238 453 I C 2.810 178.907 176.117 -0.033 0.000 1.074 453 I CA 1.323 62.624 61.300 0.002 0.000 1.342 453 I CB -1.048 36.953 38.000 0.002 0.000 1.053 453 I HN 0.275 nan 8.210 nan 0.000 0.404 454 T N 0.911 115.441 114.554 -0.041 0.000 2.649 454 T HA -0.265 4.085 4.350 0.001 0.000 0.268 454 T C 2.046 176.752 174.700 0.010 0.000 1.036 454 T CA 2.330 64.421 62.100 -0.016 0.000 1.157 454 T CB -0.516 68.369 68.868 0.029 0.000 0.861 454 T HN 0.594 nan 8.240 nan 0.000 0.445 455 S N 1.293 117.009 115.700 0.027 0.000 2.336 455 S HA 0.024 4.495 4.470 0.001 0.000 0.214 455 S C 2.433 177.064 174.600 0.053 0.000 1.032 455 S CA 1.265 59.495 58.200 0.050 0.000 1.001 455 S CB -1.466 61.769 63.200 0.060 0.000 0.953 455 S HN 0.536 nan 8.310 nan 0.000 0.430 456 G N 2.756 111.568 108.800 0.019 0.000 2.759 456 G HA2 -0.301 3.659 3.960 0.001 0.000 0.224 456 G HA3 -0.301 3.659 3.960 0.001 0.000 0.224 456 G C 1.473 176.362 174.900 -0.019 0.000 1.173 456 G CA 1.582 46.672 45.100 -0.017 0.000 0.770 456 G HN 0.507 nan 8.290 nan 0.000 0.626 457 L N -0.018 121.168 121.223 -0.061 0.000 2.013 457 L HA -0.169 4.172 4.340 0.001 0.000 0.212 457 L C 3.075 179.918 176.870 -0.044 0.000 1.073 457 L CA 1.960 56.735 54.840 -0.110 0.000 0.753 457 L CB -0.437 41.555 42.059 -0.113 0.000 0.890 457 L HN 0.278 nan 8.230 nan 0.000 0.432 458 K N -0.739 119.670 120.400 0.014 0.000 1.969 458 K HA -0.282 4.038 4.320 0.001 0.000 0.216 458 K C 2.063 178.708 176.600 0.075 0.000 1.048 458 K CA 2.141 58.451 56.287 0.039 0.000 0.948 458 K CB -0.727 31.803 32.500 0.049 0.000 0.726 458 K HN 0.129 nan 8.250 nan 0.000 0.442 459 Y N 1.248 121.541 120.300 -0.011 0.000 2.170 459 Y HA -0.430 4.121 4.550 0.001 0.000 0.274 459 Y C 2.042 177.961 175.900 0.031 0.000 1.253 459 Y CA 1.912 60.016 58.100 0.007 0.000 1.133 459 Y CB -0.239 38.219 38.460 -0.003 0.000 0.941 459 Y HN 0.223 nan 8.280 nan 0.000 0.518 460 A N -0.263 122.738 122.820 0.302 0.000 1.823 460 A HA -0.112 4.209 4.320 0.001 0.000 0.214 460 A C 1.838 179.613 177.584 0.319 0.000 1.225 460 A CA 1.515 53.739 52.037 0.312 0.000 0.604 460 A CB -1.196 17.753 19.000 -0.086 0.000 0.878 460 A HN 0.378 nan 8.150 nan 0.000 0.450 461 L N -0.004 121.336 121.223 0.194 0.000 2.556 461 L HA -0.140 4.201 4.340 0.001 0.000 0.230 461 L C 2.566 179.461 176.870 0.041 0.000 1.163 461 L CA 1.453 56.356 54.840 0.105 0.000 0.819 461 L CB -0.684 41.323 42.059 -0.086 0.000 0.939 461 L HN 0.466 nan 8.230 nan 0.000 0.452 462 A N -2.044 120.793 122.820 0.028 0.000 1.997 462 A HA 0.023 4.343 4.320 0.001 0.000 0.212 462 A C 2.134 179.685 177.584 -0.056 0.000 1.178 462 A CA 1.436 53.457 52.037 -0.028 0.000 0.698 462 A CB -0.218 18.741 19.000 -0.069 0.000 0.842 462 A HN 0.404 nan 8.150 nan 0.000 0.458 463 T N -3.080 111.442 114.554 -0.053 0.000 3.151 463 T HA 0.464 4.815 4.350 0.001 0.000 0.239 463 T C 1.482 176.184 174.700 0.003 0.000 0.979 463 T CA 1.010 63.076 62.100 -0.058 0.000 1.194 463 T CB 0.267 69.069 68.868 -0.110 0.000 0.982 463 T HN 1.256 nan 8.240 nan 0.000 0.428 464 G N 1.617 110.469 108.800 0.087 0.000 2.485 464 G HA2 -0.150 3.811 3.960 0.001 0.000 0.181 464 G HA3 -0.150 3.811 3.960 0.001 0.000 0.181 464 G C -0.134 174.855 174.900 0.148 0.000 0.999 464 G CA -0.612 44.512 45.100 0.040 0.000 0.721 464 G HN 0.489 nan 8.290 nan 0.000 0.486 465 N N 1.156 119.997 118.700 0.234 0.000 2.410 465 N HA 0.094 4.834 4.740 0.001 0.000 0.281 465 N C 1.007 176.801 175.510 0.473 0.000 1.241 465 N CA -0.305 52.924 53.050 0.297 0.000 0.998 465 N CB 0.348 39.030 38.487 0.325 0.000 1.376 465 N HN 0.541 nan 8.380 nan 0.000 0.490 466 W N 2.202 123.536 121.300 0.056 0.000 2.329 466 W HA -0.148 4.512 4.660 0.001 0.000 0.324 466 W C 1.303 177.836 176.519 0.022 0.000 1.222 466 W CA 0.992 58.358 57.345 0.034 0.000 1.270 466 W CB 0.149 29.615 29.460 0.010 0.000 1.167 466 W HN 0.610 nan 8.180 nan 0.000 0.467 478 G N -0.869 107.885 108.800 -0.076 0.000 2.148 478 G HA2 -0.013 3.947 3.960 0.001 0.000 0.203 478 G HA3 -0.013 3.947 3.960 0.001 0.000 0.203 478 G C 0.141 174.953 174.900 -0.147 0.000 0.993 478 G CA 0.058 45.104 45.100 -0.091 0.000 0.661 478 G HN 1.330 nan 8.290 nan 0.000 0.518 479 V N 0.491 120.255 119.914 -0.250 0.000 2.785 479 V HA 0.733 4.854 4.120 0.001 0.000 0.300 479 V C 1.273 177.190 176.094 -0.296 0.000 1.062 479 V CA 0.498 62.572 62.300 -0.376 0.000 1.029 479 V CB 1.426 32.777 31.823 -0.786 0.000 1.024 479 V HN 1.962 nan 8.190 nan 0.000 0.477 480 S N 2.196 117.747 115.700 -0.248 0.000 3.516 480 S HA -0.146 4.324 4.470 0.001 0.000 0.562 480 S C -0.292 174.255 174.600 -0.088 0.000 0.655 480 S CA 0.778 58.883 58.200 -0.158 0.000 1.400 480 S CB -0.631 62.487 63.200 -0.137 0.000 0.946 480 S HN 0.879 nan 8.310 nan 0.000 0.871 481 Q N 2.139 121.905 119.800 -0.057 0.000 2.633 481 Q HA 0.756 5.096 4.340 0.001 0.000 0.208 481 Q C -0.258 175.737 176.000 -0.007 0.000 1.010 481 Q CA -1.009 54.789 55.803 -0.007 0.000 0.982 481 Q CB 0.806 29.584 28.738 0.067 0.000 1.334 481 Q HN 0.489 nan 8.270 nan 0.000 0.508 482 V N 2.019 121.942 119.914 0.016 0.000 2.333 482 V HA 0.130 4.250 4.120 0.001 0.000 0.274 482 V C -0.363 175.716 176.094 -0.024 0.000 1.028 482 V CA -0.700 61.584 62.300 -0.025 0.000 0.851 482 V CB 0.692 32.489 31.823 -0.044 0.000 1.000 482 V HN 0.508 nan 8.190 nan 0.000 0.456 483 L N 5.324 126.476 121.223 -0.119 0.000 2.822 483 L HA -0.063 4.277 4.340 0.001 0.000 0.288 483 L C 0.557 177.307 176.870 -0.200 0.000 1.182 483 L CA 0.754 55.480 54.840 -0.190 0.000 0.936 483 L CB -0.512 41.300 42.059 -0.410 0.000 1.269 483 L HN 0.668 nan 8.230 nan 0.000 0.476 484 N N 4.122 122.764 118.700 -0.098 0.000 2.412 484 N HA 0.035 4.775 4.740 0.001 0.000 0.279 484 N C 0.059 175.205 175.510 -0.607 0.000 1.287 484 N CA 0.314 52.981 53.050 -0.639 0.000 0.948 484 N CB 0.066 38.140 38.487 -0.689 0.000 1.255 484 N HN 0.376 nan 8.380 nan 0.000 0.485 485 R N 2.182 122.298 120.500 -0.640 0.000 3.534 485 R HA 0.223 4.563 4.340 0.001 0.000 0.312 485 R C 0.250 176.297 176.300 -0.422 0.000 1.419 485 R CA -0.094 55.701 56.100 -0.509 0.000 1.262 485 R CB -0.374 29.540 30.300 -0.643 0.000 1.437 485 R HN 0.678 nan 8.270 nan 0.000 0.627 486 Y N -2.151 118.028 120.300 -0.202 0.000 2.177 486 Y HA 0.149 4.700 4.550 0.001 0.000 0.291 486 Y C 0.834 176.738 175.900 0.007 0.000 1.117 486 Y CA 0.091 58.108 58.100 -0.138 0.000 1.114 486 Y CB 0.597 38.983 38.460 -0.123 0.000 1.017 486 Y HN -0.079 nan 8.280 nan 0.000 0.505 487 T N -1.572 113.110 114.554 0.213 0.000 2.903 487 T HA 0.135 4.485 4.350 0.001 0.000 0.299 487 T C -0.291 174.523 174.700 0.190 0.000 1.093 487 T CA -0.694 61.536 62.100 0.217 0.000 1.002 487 T CB 1.701 70.680 68.868 0.184 0.000 1.127 487 T HN 0.055 nan 8.240 nan 0.000 0.488 488 Y N 2.709 123.071 120.300 0.104 0.000 2.014 488 Y HA -0.248 4.303 4.550 0.001 0.000 0.270 488 Y C 2.845 178.785 175.900 0.067 0.000 1.145 488 Y CA 2.887 61.024 58.100 0.062 0.000 1.106 488 Y CB -0.782 37.672 38.460 -0.009 0.000 0.968 488 Y HN 0.756 nan 8.280 nan 0.000 0.484 489 S N -0.969 114.821 115.700 0.151 0.000 2.381 489 S HA -0.346 4.124 4.470 0.001 0.000 0.230 489 S C 2.333 176.911 174.600 -0.037 0.000 1.052 489 S CA 1.997 60.235 58.200 0.064 0.000 1.068 489 S CB -1.556 61.755 63.200 0.186 0.000 0.918 489 S HN 0.593 nan 8.310 nan 0.000 0.448 490 S N 1.548 117.257 115.700 0.014 0.000 2.365 490 S HA -0.189 4.281 4.470 0.001 0.000 0.225 490 S C 1.988 176.535 174.600 -0.087 0.000 1.039 490 S CA 2.210 60.401 58.200 -0.014 0.000 1.033 490 S CB -1.505 61.723 63.200 0.046 0.000 0.887 490 S HN 0.735 nan 8.310 nan 0.000 0.447 491 T N 3.114 117.582 114.554 -0.143 0.000 2.720 491 T HA -0.037 4.313 4.350 0.001 0.000 0.268 491 T C 1.755 176.344 174.700 -0.185 0.000 1.037 491 T CA 1.632 63.619 62.100 -0.188 0.000 1.144 491 T CB -0.501 68.225 68.868 -0.237 0.000 0.864 491 T HN 0.345 nan 8.240 nan 0.000 0.444 492 L N 0.709 121.779 121.223 -0.255 0.000 1.955 492 L HA -0.158 4.182 4.340 0.001 0.000 0.213 492 L C 2.880 179.688 176.870 -0.103 0.000 1.072 492 L CA 1.469 56.189 54.840 -0.200 0.000 0.755 492 L CB -1.069 40.857 42.059 -0.222 0.000 0.888 492 L HN 0.271 nan 8.230 nan 0.000 0.432 493 S N -1.030 114.621 115.700 -0.082 0.000 2.408 493 S HA -0.387 4.083 4.470 0.001 0.000 0.241 493 S C 2.026 176.633 174.600 0.012 0.000 1.080 493 S CA 2.183 60.359 58.200 -0.041 0.000 1.109 493 S CB -0.604 62.572 63.200 -0.040 0.000 0.966 493 S HN 0.558 nan 8.310 nan 0.000 0.449 494 H N -0.343 118.654 119.070 -0.122 0.000 2.456 494 H HA 0.028 4.585 4.556 0.001 0.000 0.296 494 H C 2.025 177.292 175.328 -0.101 0.000 1.079 494 H CA 1.292 57.267 56.048 -0.122 0.000 1.322 494 H CB -0.050 29.609 29.762 -0.171 0.000 1.388 494 H HN 0.382 nan 8.280 nan 0.000 0.538 495 L N 0.206 121.391 121.223 -0.064 0.000 2.217 495 L HA -0.070 4.270 4.340 0.001 0.000 0.211 495 L C 1.694 178.530 176.870 -0.058 0.000 1.107 495 L CA 0.858 55.635 54.840 -0.106 0.000 0.783 495 L CB 0.031 42.039 42.059 -0.084 0.000 0.919 495 L HN 0.221 nan 8.230 nan 0.000 0.442 496 R N -0.290 120.190 120.500 -0.035 0.000 2.480 496 R HA 0.153 4.494 4.340 0.001 0.000 0.277 496 R C 0.455 176.748 176.300 -0.012 0.000 1.008 496 R CA -0.230 55.855 56.100 -0.025 0.000 1.090 496 R CB 0.013 30.296 30.300 -0.028 0.000 1.234 496 R HN 0.179 nan 8.270 nan 0.000 0.549 497 R N 0.638 121.139 120.500 0.001 0.000 2.560 497 R HA 0.194 4.534 4.340 0.001 0.000 0.270 497 R C -0.549 175.751 176.300 0.000 0.000 1.074 497 R CA 0.323 56.431 56.100 0.012 0.000 1.140 497 R CB 1.083 31.422 30.300 0.064 0.000 1.073 497 R HN -0.149 nan 8.270 nan 0.000 0.527 498 T N 1.783 116.336 114.554 -0.001 0.000 2.893 498 T HA 0.342 4.692 4.350 0.001 0.000 0.291 498 T C -1.229 173.466 174.700 -0.008 0.000 1.028 498 T CA -0.650 61.452 62.100 0.003 0.000 0.995 498 T CB 1.429 70.317 68.868 0.032 0.000 1.051 498 T HN 0.600 nan 8.240 nan 0.000 0.470 499 N N 0.182 118.873 118.700 -0.015 0.000 2.328 499 N HA 0.726 5.467 4.740 0.001 0.000 0.299 499 N C -1.623 173.880 175.510 -0.012 0.000 1.179 499 N CA -0.457 52.578 53.050 -0.025 0.000 0.793 499 N CB 1.807 40.263 38.487 -0.051 0.000 1.366 499 N HN 0.483 nan 8.380 nan 0.000 0.493 500 T N 2.212 116.759 114.554 -0.012 0.000 3.348 500 T HA 0.315 4.665 4.350 0.001 0.000 0.328 500 T C -2.718 171.977 174.700 -0.008 0.000 0.913 500 T CA -0.728 61.373 62.100 0.001 0.000 1.043 500 T CB 1.315 70.198 68.868 0.025 0.000 1.021 500 T HN 0.460 nan 8.240 nan 0.000 0.461 501 P HA 0.166 nan 4.420 nan 0.000 0.271 501 P C 0.717 178.010 177.300 -0.010 0.000 1.228 501 P CA -0.152 62.938 63.100 -0.017 0.000 0.797 501 P CB 0.647 32.336 31.700 -0.017 0.000 0.914 510 K N 0.890 121.287 120.400 -0.004 0.000 3.202 510 K HA 0.221 4.541 4.320 0.001 0.000 0.206 510 K C -1.858 174.769 176.600 0.045 0.000 1.142 510 K CA -1.302 54.995 56.287 0.016 0.000 0.979 510 K CB 1.426 33.940 32.500 0.024 0.000 0.863 510 K HN 0.336 nan 8.250 nan 0.000 0.479 511 P HA -0.273 nan 4.420 nan 0.000 0.211 511 P C 0.933 178.277 177.300 0.072 0.000 1.181 511 P CA 1.392 64.534 63.100 0.070 0.000 0.929 511 P CB 0.133 31.862 31.700 0.049 0.000 0.789 512 R N -0.501 120.021 120.500 0.036 0.000 2.234 512 R HA -0.207 4.134 4.340 0.001 0.000 0.262 512 R C 1.760 178.074 176.300 0.024 0.000 1.150 512 R CA 1.301 57.411 56.100 0.017 0.000 0.981 512 R CB -1.062 29.242 30.300 0.007 0.000 0.899 512 R HN 0.374 nan 8.270 nan 0.000 0.458 513 Q N 0.199 120.029 119.800 0.049 0.000 2.861 513 Q HA 0.028 4.368 4.340 0.001 0.000 0.240 513 Q C -0.661 175.393 176.000 0.090 0.000 1.162 513 Q CA 0.443 56.283 55.803 0.062 0.000 1.078 513 Q CB 0.256 29.040 28.738 0.077 0.000 1.349 513 Q HN 0.088 nan 8.270 nan 0.000 0.595 514 L N 1.444 122.721 121.223 0.090 0.000 2.276 514 L HA 0.317 4.657 4.340 0.001 0.000 0.286 514 L C -1.108 175.883 176.870 0.202 0.000 1.024 514 L CA -0.174 54.740 54.840 0.124 0.000 0.826 514 L CB 0.582 42.667 42.059 0.043 0.000 1.211 514 L HN 0.654 nan 8.230 nan 0.000 0.422 515 H N 2.621 121.890 119.070 0.331 0.000 2.546 515 H HA 0.335 4.891 4.556 0.001 0.000 0.365 515 H C 0.939 176.282 175.328 0.026 0.000 1.220 515 H CA 0.679 56.759 56.048 0.053 0.000 1.386 515 H CB 1.043 30.644 29.762 -0.269 0.000 1.510 515 H HN 0.761 nan 8.280 nan 0.000 0.591 516 N N -0.285 118.175 118.700 -0.400 0.000 2.135 516 N HA -0.169 4.571 4.740 0.001 0.000 0.186 516 N C 1.555 177.126 175.510 0.102 0.000 1.027 516 N CA 1.410 54.388 53.050 -0.121 0.000 0.849 516 N CB -0.063 38.272 38.487 -0.253 0.000 1.002 516 N HN 0.730 nan 8.380 nan 0.000 0.425 517 T N -0.617 114.072 114.554 0.226 0.000 2.822 517 T HA -0.188 4.162 4.350 0.001 0.000 0.270 517 T C 1.472 176.243 174.700 0.117 0.000 1.064 517 T CA 1.141 63.317 62.100 0.126 0.000 1.131 517 T CB -0.521 68.332 68.868 -0.026 0.000 0.858 517 T HN 0.267 nan 8.240 nan 0.000 0.483 518 H N -0.580 118.524 119.070 0.056 0.000 2.545 518 H HA 0.073 4.629 4.556 0.001 0.000 0.282 518 H C 0.897 176.201 175.328 -0.039 0.000 1.020 518 H CA 0.211 56.145 56.048 -0.189 0.000 1.243 518 H CB -0.500 29.138 29.762 -0.207 0.000 1.377 518 H HN 0.589 nan 8.280 nan 0.000 0.581 519 W N 1.814 123.141 121.300 0.044 0.000 2.223 519 W HA 0.191 4.851 4.660 0.001 0.000 0.334 519 W C 1.068 177.607 176.519 0.034 0.000 1.334 519 W CA 1.365 58.725 57.345 0.026 0.000 1.246 519 W CB 0.220 29.686 29.460 0.011 0.000 1.184 519 W HN 0.473 nan 8.180 nan 0.000 0.563 520 G N 3.922 112.315 108.800 -0.678 0.000 2.353 520 G HA2 -0.375 3.585 3.960 0.001 0.000 0.258 520 G HA3 -0.375 3.585 3.960 0.001 0.000 0.258 520 G C 0.886 175.718 174.900 -0.115 0.000 1.013 520 G CA 0.886 45.736 45.100 -0.417 0.000 0.622 520 G HN 0.572 nan 8.290 nan 0.000 0.535 521 L N -0.574 120.642 121.223 -0.011 0.000 2.269 521 L HA 0.332 4.672 4.340 0.001 0.000 0.200 521 L C 1.186 178.056 176.870 -0.001 0.000 1.069 521 L CA 0.650 55.532 54.840 0.069 0.000 0.804 521 L CB -0.097 42.127 42.059 0.275 0.000 0.987 521 L HN 0.161 nan 8.230 nan 0.000 0.468 522 V N -0.689 119.164 119.914 -0.101 0.000 2.769 522 V HA 0.201 4.321 4.120 0.001 0.000 0.312 522 V C -0.214 175.776 176.094 -0.172 0.000 1.058 522 V CA -1.148 61.057 62.300 -0.158 0.000 0.952 522 V CB 2.625 34.253 31.823 -0.326 0.000 1.019 522 V HN 0.258 nan 8.190 nan 0.000 0.445 523 C N 6.332 125.543 119.300 -0.147 0.000 2.644 523 C HA 0.340 4.801 4.460 0.001 0.000 0.417 523 C C -0.277 174.627 174.990 -0.143 0.000 1.304 523 C CA -0.751 58.186 59.018 -0.136 0.000 2.035 523 C CB 0.636 28.316 27.740 -0.101 0.000 2.673 523 C HN 0.866 nan 8.230 nan 0.000 0.602 524 P HA 0.057 nan 4.420 nan 0.000 0.217 524 P C 0.948 178.208 177.300 -0.067 0.000 1.153 524 P CA 1.862 64.910 63.100 -0.088 0.000 0.843 524 P CB 0.096 31.762 31.700 -0.057 0.000 0.794 525 A N 0.040 122.825 122.820 -0.059 0.000 2.081 525 A HA 0.008 4.329 4.320 0.001 0.000 0.214 525 A C 1.384 178.946 177.584 -0.038 0.000 1.158 525 A CA 0.100 52.112 52.037 -0.042 0.000 0.724 525 A CB -0.768 18.210 19.000 -0.038 0.000 0.826 525 A HN 0.225 nan 8.150 nan 0.000 0.463 526 E N 0.987 121.155 120.200 -0.053 0.000 1.941 526 E HA 0.372 4.723 4.350 0.001 0.000 0.275 526 E C -0.758 175.811 176.600 -0.051 0.000 1.113 526 E CA 0.020 56.392 56.400 -0.046 0.000 0.878 526 E CB 0.111 29.779 29.700 -0.053 0.000 1.070 526 E HN 0.182 nan 8.360 nan 0.000 0.399 527 T N 4.177 118.710 114.554 -0.035 0.000 2.957 527 T HA 0.334 4.684 4.350 0.001 0.000 0.336 527 T C -2.847 171.839 174.700 -0.024 0.000 1.462 527 T CA -1.440 60.637 62.100 -0.039 0.000 1.073 527 T CB 1.482 70.321 68.868 -0.048 0.000 1.319 527 T HN 0.298 nan 8.240 nan 0.000 0.485 528 P HA 0.239 nan 4.420 nan 0.000 0.268 528 P C -0.445 176.836 177.300 -0.032 0.000 1.204 528 P CA -0.120 62.957 63.100 -0.039 0.000 0.768 528 P CB 0.543 32.214 31.700 -0.048 0.000 0.842 529 E N 1.268 121.440 120.200 -0.046 0.000 2.390 529 E HA 0.315 4.666 4.350 0.001 0.000 0.261 529 E C 1.141 177.713 176.600 -0.047 0.000 1.076 529 E CA -0.125 56.247 56.400 -0.046 0.000 0.905 529 E CB 0.116 29.747 29.700 -0.116 0.000 0.984 529 E HN 0.722 nan 8.360 nan 0.000 0.427 530 G N 1.879 110.660 108.800 -0.031 0.000 2.586 530 G HA2 -0.436 3.524 3.960 0.001 0.000 0.308 530 G HA3 -0.436 3.524 3.960 0.001 0.000 0.308 530 G C 0.464 175.345 174.900 -0.033 0.000 1.317 530 G CA 0.814 45.895 45.100 -0.031 0.000 0.922 530 G HN 0.944 nan 8.290 nan 0.000 0.551 531 Q N -2.925 116.855 119.800 -0.033 0.000 2.341 531 Q HA -0.317 4.024 4.340 0.001 0.000 0.431 531 Q C 1.604 177.587 176.000 -0.028 0.000 0.591 531 Q CA 2.554 58.338 55.803 -0.032 0.000 0.966 531 Q CB -1.776 26.940 28.738 -0.038 0.000 2.454 531 Q HN 2.461 nan 8.270 nan 0.000 0.956 532 A N 0.766 123.567 122.820 -0.031 0.000 3.197 532 A HA 0.417 4.737 4.320 0.001 0.000 0.263 532 A C 0.100 177.666 177.584 -0.029 0.000 1.524 532 A CA 0.106 52.127 52.037 -0.028 0.000 1.176 532 A CB -0.385 18.597 19.000 -0.031 0.000 1.096 532 A HN 0.532 nan 8.150 nan 0.000 0.655 533 C N 0.593 119.877 119.300 -0.025 0.000 2.482 533 C HA 0.548 5.008 4.460 0.001 0.000 0.378 533 C C 1.611 176.586 174.990 -0.024 0.000 1.284 533 C CA 1.069 60.073 59.018 -0.024 0.000 1.826 533 C CB -1.302 26.428 27.740 -0.016 0.000 2.473 533 C HN 1.738 nan 8.230 nan 0.000 0.562 534 G N 4.730 113.508 108.800 -0.036 0.000 2.175 534 G HA2 -0.220 3.740 3.960 0.001 0.000 0.244 534 G HA3 -0.220 3.740 3.960 0.001 0.000 0.244 534 G C 0.428 175.305 174.900 -0.038 0.000 0.982 534 G CA 0.515 45.588 45.100 -0.045 0.000 0.641 534 G HN 0.738 nan 8.290 nan 0.000 0.527 535 L N -0.327 120.879 121.223 -0.029 0.000 2.408 535 L HA 0.344 4.685 4.340 0.001 0.000 0.215 535 L C 0.813 177.669 176.870 -0.023 0.000 1.081 535 L CA 0.390 55.220 54.840 -0.018 0.000 0.840 535 L CB 0.605 42.654 42.059 -0.016 0.000 1.002 535 L HN 0.123 nan 8.230 nan 0.000 0.468 536 V N 1.088 120.981 119.914 -0.035 0.000 2.384 536 V HA 0.310 4.431 4.120 0.001 0.000 0.287 536 V C -0.310 175.752 176.094 -0.053 0.000 1.020 536 V CA -0.591 61.687 62.300 -0.037 0.000 0.850 536 V CB 1.551 33.351 31.823 -0.038 0.000 0.987 536 V HN 0.140 nan 8.190 nan 0.000 0.436 537 K N 3.388 123.757 120.400 -0.053 0.000 2.400 537 K HA 0.568 4.888 4.320 0.001 0.000 0.246 537 K C -0.950 175.615 176.600 -0.058 0.000 0.995 537 K CA -1.037 55.200 56.287 -0.084 0.000 0.840 537 K CB 2.028 34.442 32.500 -0.142 0.000 1.293 537 K HN 0.456 nan 8.250 nan 0.000 0.445 538 N N 1.692 120.348 118.700 -0.073 0.000 2.372 538 N HA 0.314 5.054 4.740 0.001 0.000 0.285 538 N C -0.712 174.765 175.510 -0.055 0.000 1.008 538 N CA -0.468 52.551 53.050 -0.052 0.000 0.880 538 N CB 1.257 39.713 38.487 -0.051 0.000 1.239 538 N HN 0.374 nan 8.380 nan 0.000 0.484 539 L N 1.507 122.713 121.223 -0.029 0.000 2.483 539 L HA 0.068 4.408 4.340 0.001 0.000 0.276 539 L C 1.367 178.219 176.870 -0.030 0.000 1.213 539 L CA 0.176 55.006 54.840 -0.018 0.000 0.843 539 L CB 0.263 42.319 42.059 -0.004 0.000 1.107 539 L HN 0.424 nan 8.230 nan 0.000 0.487 540 S N 1.881 117.561 115.700 -0.034 0.000 2.632 540 S HA 0.155 4.625 4.470 0.001 0.000 0.254 540 S C 1.254 175.863 174.600 0.015 0.000 1.291 540 S CA -0.580 57.600 58.200 -0.034 0.000 0.974 540 S CB 0.492 63.654 63.200 -0.063 0.000 1.016 540 S HN 0.453 nan 8.310 nan 0.000 0.579 541 L N 0.251 121.510 121.223 0.060 0.000 2.062 541 L HA -0.037 4.304 4.340 0.001 0.000 0.202 541 L C 2.563 179.594 176.870 0.267 0.000 1.079 541 L CA 0.890 55.832 54.840 0.171 0.000 0.755 541 L CB -0.421 41.782 42.059 0.241 0.000 0.913 541 L HN 0.546 nan 8.230 nan 0.000 0.445 542 M N 0.240 119.977 119.600 0.229 0.000 2.213 542 M HA -0.064 4.417 4.480 0.001 0.000 0.263 542 M C 1.349 177.745 176.300 0.160 0.000 1.062 542 M CA 0.659 56.118 55.300 0.265 0.000 1.105 542 M CB -1.305 31.265 32.600 -0.050 0.000 1.385 542 M HN 0.321 nan 8.290 nan 0.000 0.417 543 S N 0.409 116.130 115.700 0.035 0.000 2.561 543 S HA 0.130 4.600 4.470 0.001 0.000 0.294 543 S C 0.164 174.672 174.600 -0.153 0.000 1.294 543 S CA -0.625 57.536 58.200 -0.064 0.000 1.055 543 S CB 0.232 63.412 63.200 -0.033 0.000 0.819 543 S HN 0.429 nan 8.310 nan 0.000 0.503 544 C N 2.035 121.083 119.300 -0.420 0.000 3.318 544 C HA 0.717 5.177 4.460 0.001 0.000 0.329 544 C C -0.346 174.162 174.990 -0.805 0.000 1.449 544 C CA -0.981 57.690 59.018 -0.578 0.000 1.397 544 C CB 0.913 28.241 27.740 -0.686 0.000 1.810 544 C HN 0.936 nan 8.230 nan 0.000 0.449 545 I N 1.474 121.702 120.570 -0.570 0.000 2.608 545 I HA 0.352 4.522 4.170 0.001 0.000 0.295 545 I C 0.191 176.330 176.117 0.038 0.000 1.049 545 I CA -0.012 61.111 61.300 -0.295 0.000 1.063 545 I CB 2.088 40.020 38.000 -0.113 0.000 1.248 545 I HN 0.787 nan 8.210 nan 0.000 0.424 546 S N 4.237 120.107 115.700 0.283 0.000 2.515 546 S HA 0.067 4.537 4.470 0.001 0.000 0.285 546 S C 0.587 175.292 174.600 0.175 0.000 1.265 546 S CA -0.522 57.891 58.200 0.356 0.000 1.079 546 S CB 1.400 64.745 63.200 0.241 0.000 0.877 546 S HN 0.554 nan 8.310 nan 0.000 0.493 547 V N 3.721 123.733 119.914 0.164 0.000 3.052 547 V HA 0.388 4.508 4.120 0.001 0.000 0.254 547 V C 1.122 177.268 176.094 0.087 0.000 1.100 547 V CA 1.425 63.787 62.300 0.104 0.000 1.112 547 V CB -0.896 30.976 31.823 0.082 0.000 0.738 547 V HN 1.673 nan 8.190 nan 0.000 0.469 548 G N 0.226 109.083 108.800 0.095 0.000 3.355 548 G HA2 -0.086 3.874 3.960 0.001 0.000 0.686 548 G HA3 -0.086 3.874 3.960 0.001 0.000 0.686 548 G C -0.371 174.580 174.900 0.085 0.000 1.097 548 G CA -0.202 44.949 45.100 0.086 0.000 0.881 548 G HN 0.486 nan 8.290 nan 0.000 0.550 549 T N 1.322 115.927 114.554 0.084 0.000 2.849 549 T HA 0.709 5.059 4.350 0.001 0.000 0.272 549 T C -0.266 174.483 174.700 0.082 0.000 1.046 549 T CA -0.323 61.828 62.100 0.084 0.000 0.983 549 T CB 1.346 70.252 68.868 0.063 0.000 1.721 549 T HN 0.658 nan 8.240 nan 0.000 0.594 550 D N 0.765 121.204 120.400 0.066 0.000 2.350 550 D HA 0.334 4.974 4.640 0.001 0.000 0.245 550 D C -1.528 174.790 176.300 0.030 0.000 1.036 550 D CA -2.228 51.803 54.000 0.051 0.000 0.848 550 D CB 2.266 43.092 40.800 0.043 0.000 1.307 550 D HN 0.081 nan 8.370 nan 0.000 0.469 551 P HA -0.055 nan 4.420 nan 0.000 0.213 551 P C 1.821 179.104 177.300 -0.029 0.000 1.169 551 P CA 0.786 63.890 63.100 0.007 0.000 0.885 551 P CB 0.582 32.300 31.700 0.028 0.000 0.779 552 M N 0.628 120.214 119.600 -0.024 0.000 2.113 552 M HA -0.127 4.354 4.480 0.001 0.000 0.255 552 M C -0.477 175.819 176.300 -0.007 0.000 1.073 552 M CA 3.139 58.423 55.300 -0.027 0.000 1.091 552 M CB -2.363 30.229 32.600 -0.013 0.000 1.309 552 M HN 0.038 nan 8.290 nan 0.000 0.407 553 P HA -0.104 nan 4.420 nan 0.000 0.234 553 P C 0.801 178.114 177.300 0.021 0.000 1.162 553 P CA 1.422 64.537 63.100 0.026 0.000 0.759 553 P CB -0.258 31.452 31.700 0.018 0.000 0.813 554 I N -2.592 117.961 120.570 -0.028 0.000 4.471 554 I HA 0.106 4.276 4.170 0.001 0.000 0.326 554 I C 2.252 178.333 176.117 -0.059 0.000 1.300 554 I CA -0.076 61.160 61.300 -0.106 0.000 1.237 554 I CB 0.265 38.168 38.000 -0.162 0.000 1.195 554 I HN -0.197 nan 8.210 nan 0.000 0.427 555 I N 0.867 121.399 120.570 -0.063 0.000 2.296 555 I HA -0.186 3.984 4.170 0.001 0.000 0.242 555 I C 2.422 178.535 176.117 -0.007 0.000 1.087 555 I CA 1.403 62.634 61.300 -0.115 0.000 1.393 555 I CB 0.016 37.880 38.000 -0.228 0.000 1.093 555 I HN 0.123 nan 8.210 nan 0.000 0.421 556 T N 1.110 115.678 114.554 0.024 0.000 2.720 556 T HA -0.268 4.082 4.350 0.001 0.000 0.268 556 T C 1.658 176.438 174.700 0.133 0.000 1.037 556 T CA 1.786 63.920 62.100 0.058 0.000 1.144 556 T CB -0.473 68.424 68.868 0.049 0.000 0.864 556 T HN 0.355 nan 8.240 nan 0.000 0.444 557 F N 1.091 121.027 119.950 -0.024 0.000 2.134 557 F HA -0.045 4.482 4.527 0.001 0.000 0.299 557 F C 1.938 177.750 175.800 0.021 0.000 1.097 557 F CA 0.967 58.958 58.000 -0.014 0.000 1.264 557 F CB -0.194 38.745 39.000 -0.101 0.000 1.001 557 F HN 0.053 nan 8.300 nan 0.000 0.479 558 L N 0.451 121.955 121.223 0.467 0.000 1.955 558 L HA -0.279 4.061 4.340 0.001 0.000 0.213 558 L C 2.771 179.764 176.870 0.204 0.000 1.072 558 L CA 1.780 56.808 54.840 0.313 0.000 0.755 558 L CB -1.109 41.011 42.059 0.102 0.000 0.888 558 L HN 0.301 nan 8.230 nan 0.000 0.432 559 S N -0.914 114.855 115.700 0.114 0.000 2.559 559 S HA -0.192 4.279 4.470 0.001 0.000 0.250 559 S C 1.076 175.720 174.600 0.074 0.000 0.977 559 S CA 1.171 59.415 58.200 0.073 0.000 0.958 559 S CB -0.522 62.699 63.200 0.035 0.000 0.751 559 S HN 0.527 nan 8.310 nan 0.000 0.534 560 E N -1.340 118.933 120.200 0.122 0.000 2.651 560 E HA 0.196 4.546 4.350 0.001 0.000 0.208 560 E C -0.681 175.956 176.600 0.062 0.000 0.997 560 E CA -0.230 56.209 56.400 0.065 0.000 1.020 560 E CB 0.313 30.040 29.700 0.046 0.000 1.052 560 E HN 0.720 nan 8.360 nan 0.000 0.465 561 W N -0.733 120.521 121.300 -0.077 0.000 1.526 561 W HA 0.272 4.933 4.660 0.001 0.000 0.218 561 W C 1.082 177.595 176.519 -0.010 0.000 0.797 561 W CA 0.107 57.415 57.345 -0.062 0.000 0.997 561 W CB 1.456 30.883 29.460 -0.054 0.000 0.926 561 W HN 0.206 nan 8.180 nan 0.000 0.483 562 G N -0.270 108.634 108.800 0.173 0.000 4.205 562 G HA2 -0.141 3.820 3.960 0.001 0.000 0.200 562 G HA3 -0.141 3.820 3.960 0.001 0.000 0.200 562 G C 0.258 175.365 174.900 0.346 0.000 1.190 562 G CA -0.266 45.019 45.100 0.307 0.000 0.861 562 G HN -0.051 nan 8.290 nan 0.000 0.326 563 M N 2.878 122.574 119.600 0.161 0.000 2.603 563 M HA 0.164 4.645 4.480 0.001 0.000 0.399 563 M C -0.287 176.062 176.300 0.082 0.000 1.745 563 M CA 0.773 56.151 55.300 0.130 0.000 1.055 563 M CB -0.041 32.593 32.600 0.058 0.000 2.144 563 M HN 0.292 nan 8.290 nan 0.000 0.483 564 E N 8.461 128.700 120.200 0.066 0.000 2.070 564 E HA 0.238 4.588 4.350 0.001 0.000 0.282 564 E C -2.108 174.452 176.600 -0.067 0.000 1.104 564 E CA -1.851 54.551 56.400 0.004 0.000 0.876 564 E CB 0.134 29.840 29.700 0.009 0.000 1.055 564 E HN 0.508 nan 8.360 nan 0.000 0.401 565 P HA -0.179 nan 4.420 nan 0.000 0.263 565 P C 0.709 177.863 177.300 -0.243 0.000 1.162 565 P CA 0.094 63.119 63.100 -0.124 0.000 0.758 565 P CB 0.783 32.434 31.700 -0.082 0.000 0.773 566 L N 3.613 124.606 121.223 -0.384 0.000 2.189 566 L HA -0.223 4.117 4.340 0.001 0.000 0.214 566 L C 2.277 178.825 176.870 -0.537 0.000 1.097 566 L CA 1.879 56.307 54.840 -0.686 0.000 0.764 566 L CB -0.878 40.682 42.059 -0.831 0.000 0.900 566 L HN 0.300 nan 8.230 nan 0.000 0.436 567 E N -0.064 119.956 120.200 -0.301 0.000 2.065 567 E HA -0.206 4.144 4.350 0.001 0.000 0.201 567 E C 0.411 176.915 176.600 -0.161 0.000 1.016 567 E CA 1.530 57.808 56.400 -0.202 0.000 0.818 567 E CB -0.523 29.078 29.700 -0.165 0.000 0.749 567 E HN 0.607 nan 8.360 nan 0.000 0.453 568 D N 0.061 120.370 120.400 -0.152 0.000 2.557 568 D HA 0.123 4.763 4.640 0.001 0.000 0.236 568 D C -0.842 175.405 176.300 -0.088 0.000 1.154 568 D CA -0.138 53.803 54.000 -0.099 0.000 0.985 568 D CB -0.183 40.569 40.800 -0.081 0.000 1.010 568 D HN 0.039 nan 8.370 nan 0.000 0.516 569 Y N 1.032 121.156 120.300 -0.293 0.000 2.429 569 Y HA 0.406 4.957 4.550 0.001 0.000 0.342 569 Y C -0.687 175.138 175.900 -0.126 0.000 1.004 569 Y CA -1.165 56.744 58.100 -0.318 0.000 1.075 569 Y CB 1.605 39.656 38.460 -0.682 0.000 1.214 569 Y HN 0.001 nan 8.280 nan 0.000 0.455 570 V N 6.320 125.770 119.914 -0.774 0.000 2.443 570 V HA 0.385 4.505 4.120 0.001 0.000 0.272 570 V C -2.138 173.421 176.094 -0.893 0.000 1.002 570 V CA -1.686 60.232 62.300 -0.636 0.000 0.840 570 V CB 0.905 32.461 31.823 -0.445 0.000 1.042 570 V HN 0.706 nan 8.190 nan 0.000 0.446 571 P HA -0.326 nan 4.420 nan 0.000 0.211 571 P C 1.436 178.608 177.300 -0.213 0.000 1.038 571 P CA 2.777 65.630 63.100 -0.413 0.000 0.988 571 P CB -0.274 31.444 31.700 0.031 0.000 0.758 572 H N -0.549 118.460 119.070 -0.103 0.000 2.543 572 H HA -0.054 4.502 4.556 0.001 0.000 0.286 572 H C 2.010 177.296 175.328 -0.069 0.000 1.037 572 H CA 1.332 57.351 56.048 -0.047 0.000 1.250 572 H CB -0.957 28.793 29.762 -0.021 0.000 1.373 572 H HN 0.346 nan 8.280 nan 0.000 0.580 573 Q N 1.329 120.872 119.800 -0.429 0.000 2.187 573 Q HA 0.021 4.362 4.340 0.001 0.000 0.199 573 Q C 0.019 175.920 176.000 -0.166 0.000 0.957 573 Q CA 0.654 56.287 55.803 -0.283 0.000 0.857 573 Q CB 0.535 29.066 28.738 -0.346 0.000 0.929 573 Q HN 0.240 nan 8.270 nan 0.000 0.453 574 S N 1.636 117.225 115.700 -0.186 0.000 2.395 574 S HA 0.228 4.698 4.470 0.001 0.000 0.207 574 S C -2.179 172.425 174.600 0.007 0.000 1.454 574 S CA -1.105 57.050 58.200 -0.075 0.000 1.211 574 S CB 1.700 64.865 63.200 -0.058 0.000 1.093 574 S HN 0.288 nan 8.310 nan 0.000 0.472 575 P HA -0.045 nan 4.420 nan 0.000 0.213 575 P C 0.154 177.540 177.300 0.142 0.000 1.170 575 P CA 1.101 64.266 63.100 0.109 0.000 0.889 575 P CB 0.078 31.834 31.700 0.092 0.000 0.782 576 D N 0.574 121.038 120.400 0.106 0.000 2.395 576 D HA 0.190 4.830 4.640 0.001 0.000 0.250 576 D C 0.547 176.918 176.300 0.119 0.000 1.203 576 D CA 0.113 54.178 54.000 0.108 0.000 0.872 576 D CB -0.499 40.345 40.800 0.073 0.000 0.941 576 D HN 0.155 nan 8.370 nan 0.000 0.504 577 A N 0.611 123.528 122.820 0.162 0.000 2.566 577 A HA 0.110 4.430 4.320 0.001 0.000 0.245 577 A C 0.858 178.545 177.584 0.171 0.000 1.056 577 A CA 0.291 52.440 52.037 0.186 0.000 0.757 577 A CB 0.062 19.262 19.000 0.333 0.000 0.979 577 A HN 0.043 nan 8.150 nan 0.000 0.508 578 T N 4.485 119.119 114.554 0.133 0.000 3.379 578 T HA 0.227 4.577 4.350 0.001 0.000 0.274 578 T C 0.470 175.239 174.700 0.115 0.000 1.555 578 T CA -0.475 61.704 62.100 0.131 0.000 1.297 578 T CB -0.663 68.283 68.868 0.130 0.000 1.132 578 T HN 0.819 nan 8.240 nan 0.000 0.722 579 R N 0.291 120.855 120.500 0.107 0.000 2.466 579 R HA 0.054 4.395 4.340 0.001 0.000 0.280 579 R C -0.753 175.495 176.300 -0.085 0.000 0.926 579 R CA -0.058 56.104 56.100 0.102 0.000 1.127 579 R CB -0.254 30.083 30.300 0.061 0.000 0.871 579 R HN 0.127 nan 8.270 nan 0.000 0.421 580 V N 4.530 124.417 119.914 -0.046 0.000 2.483 580 V HA 0.439 4.559 4.120 0.001 0.000 0.295 580 V C -0.385 175.575 176.094 -0.224 0.000 1.035 580 V CA -0.515 61.735 62.300 -0.084 0.000 0.896 580 V CB 1.124 32.966 31.823 0.031 0.000 0.986 580 V HN 0.577 nan 8.190 nan 0.000 0.447 581 F N 3.182 123.129 119.950 -0.005 0.000 2.508 581 F HA 0.728 5.256 4.527 0.001 0.000 0.325 581 F C -0.087 175.673 175.800 -0.066 0.000 1.090 581 F CA -0.815 57.162 58.000 -0.039 0.000 0.945 581 F CB 2.173 41.083 39.000 -0.151 0.000 1.156 581 F HN 0.202 nan 8.300 nan 0.000 0.463 582 V N 3.533 123.597 119.914 0.250 0.000 2.623 582 V HA 0.314 4.434 4.120 0.001 0.000 0.304 582 V C -0.719 175.493 176.094 0.198 0.000 1.054 582 V CA -0.994 61.388 62.300 0.138 0.000 0.882 582 V CB 1.641 33.596 31.823 0.220 0.000 1.002 582 V HN 0.829 nan 8.190 nan 0.000 0.424 583 N N 4.364 123.158 118.700 0.155 0.000 2.716 583 N HA -0.199 4.541 4.740 0.001 0.000 0.250 583 N C 0.964 176.702 175.510 0.380 0.000 1.033 583 N CA 1.819 55.110 53.050 0.401 0.000 0.727 583 N CB -1.004 37.654 38.487 0.285 0.000 0.950 583 N HN 1.657 nan 8.380 nan 0.000 0.541 584 G N -2.696 106.341 108.800 0.396 0.000 2.221 584 G HA2 -0.236 3.725 3.960 0.001 0.000 0.265 584 G HA3 -0.236 3.725 3.960 0.001 0.000 0.265 584 G C -0.121 175.003 174.900 0.374 0.000 1.041 584 G CA 0.389 45.690 45.100 0.334 0.000 0.807 584 G HN 0.577 nan 8.290 nan 0.000 0.502 585 V N -0.828 119.293 119.914 0.345 0.000 2.876 585 V HA 0.719 4.839 4.120 0.001 0.000 0.312 585 V C -0.390 175.784 176.094 0.134 0.000 1.085 585 V CA -1.251 61.115 62.300 0.110 0.000 0.945 585 V CB 2.077 33.772 31.823 -0.214 0.000 1.017 585 V HN 0.311 nan 8.190 nan 0.000 0.428 586 W N 4.083 125.267 121.300 -0.193 0.000 2.317 586 W HA 0.481 5.141 4.660 0.001 0.000 0.327 586 W C 0.665 176.929 176.519 -0.425 0.000 1.036 586 W CA -0.788 56.339 57.345 -0.364 0.000 1.419 586 W CB 0.135 29.513 29.460 -0.138 0.000 1.253 586 W HN 0.670 nan 8.180 nan 0.000 0.392 587 H N 3.801 122.909 119.070 0.063 0.000 2.519 587 H HA 0.320 4.876 4.556 0.001 0.000 0.289 587 H C 1.262 176.472 175.328 -0.198 0.000 1.040 587 H CA 0.946 56.958 56.048 -0.061 0.000 1.165 587 H CB 0.085 29.842 29.762 -0.008 0.000 1.462 587 H HN 0.586 nan 8.280 nan 0.000 0.555 588 G N -0.157 108.415 108.800 -0.379 0.000 2.342 588 G HA2 -0.095 3.866 3.960 0.001 0.000 0.220 588 G HA3 -0.095 3.866 3.960 0.001 0.000 0.220 588 G C -0.788 173.906 174.900 -0.342 0.000 1.243 588 G CA -0.242 44.545 45.100 -0.521 0.000 1.083 588 G HN 0.152 nan 8.290 nan 0.000 0.500 589 V N -1.145 118.645 119.914 -0.207 0.000 3.856 589 V HA 1.002 5.122 4.120 0.001 0.000 0.302 589 V C -0.139 176.032 176.094 0.127 0.000 1.389 589 V CA 0.345 62.626 62.300 -0.032 0.000 0.964 589 V CB 1.665 33.442 31.823 -0.077 0.000 1.227 589 V HN 2.000 nan 8.190 nan 0.000 0.474 590 H N -0.616 118.471 119.070 0.028 0.000 2.987 590 H HA 0.371 4.927 4.556 0.001 0.000 0.285 590 H C -0.349 175.018 175.328 0.065 0.000 1.176 590 H CA -0.578 55.499 56.048 0.049 0.000 1.596 590 H CB 0.868 30.666 29.762 0.060 0.000 2.044 590 H HN 0.539 nan 8.280 nan 0.000 0.500 591 R N 1.783 121.966 120.500 -0.528 0.000 1.523 591 R HA 0.119 4.459 4.340 0.001 0.000 0.081 591 R C 0.275 176.273 176.300 -0.503 0.000 0.519 591 R CA -0.412 55.469 56.100 -0.366 0.000 2.012 591 R CB -0.385 29.776 30.300 -0.232 0.000 0.617 591 R HN 0.685 nan 8.270 nan 0.000 0.747 592 N N 3.406 121.943 118.700 -0.272 0.000 2.106 592 N HA -0.093 4.647 4.740 0.001 0.000 0.284 592 N C -1.684 173.841 175.510 0.025 0.000 1.388 592 N CA -0.163 52.829 53.050 -0.096 0.000 0.944 592 N CB 0.521 38.992 38.487 -0.026 0.000 1.333 592 N HN 0.306 nan 8.380 nan 0.000 0.489 593 P HA 0.039 nan 4.420 nan 0.000 0.232 593 P C 1.078 178.508 177.300 0.217 0.000 1.170 593 P CA 0.356 63.676 63.100 0.367 0.000 0.824 593 P CB 0.069 31.960 31.700 0.318 0.000 0.896 594 A N 1.420 124.327 122.820 0.145 0.000 2.001 594 A HA -0.271 4.050 4.320 0.001 0.000 0.224 594 A C 2.367 180.018 177.584 0.112 0.000 1.203 594 A CA 1.988 54.089 52.037 0.107 0.000 0.667 594 A CB -1.198 17.852 19.000 0.083 0.000 0.823 594 A HN 0.185 nan 8.150 nan 0.000 0.473 595 R N -1.844 118.745 120.500 0.149 0.000 2.064 595 R HA 0.094 4.435 4.340 0.001 0.000 0.221 595 R C 2.171 178.567 176.300 0.160 0.000 1.136 595 R CA 0.894 57.087 56.100 0.155 0.000 0.980 595 R CB -0.652 29.758 30.300 0.183 0.000 0.876 595 R HN 0.475 nan 8.270 nan 0.000 0.437 596 L N 1.224 122.567 121.223 0.200 0.000 2.103 596 L HA -0.262 4.078 4.340 0.001 0.000 0.215 596 L C 2.192 179.082 176.870 0.034 0.000 1.080 596 L CA 1.875 56.775 54.840 0.100 0.000 0.764 596 L CB -0.395 41.625 42.059 -0.066 0.000 0.890 596 L HN 0.154 nan 8.230 nan 0.000 0.435 597 M N 0.068 119.700 119.600 0.054 0.000 2.101 597 M HA -0.190 4.291 4.480 0.001 0.000 0.259 597 M C 2.290 178.591 176.300 0.003 0.000 1.083 597 M CA 2.201 57.513 55.300 0.020 0.000 1.114 597 M CB -0.821 31.805 32.600 0.044 0.000 1.281 597 M HN 0.409 nan 8.290 nan 0.000 0.422 598 E N -1.545 118.672 120.200 0.029 0.000 2.448 598 E HA -0.177 4.173 4.350 0.001 0.000 0.203 598 E C 1.058 177.658 176.600 0.001 0.000 1.046 598 E CA 1.395 57.805 56.400 0.018 0.000 0.871 598 E CB -0.013 29.708 29.700 0.035 0.000 0.790 598 E HN 0.561 nan 8.360 nan 0.000 0.545 599 T N -0.097 114.456 114.554 -0.003 0.000 3.054 599 T HA 0.072 4.422 4.350 0.001 0.000 0.259 599 T C 1.527 176.140 174.700 -0.145 0.000 1.092 599 T CA 0.267 62.338 62.100 -0.049 0.000 1.121 599 T CB 0.189 69.043 68.868 -0.023 0.000 0.912 599 T HN 0.159 nan 8.240 nan 0.000 0.489 600 L N 0.018 121.149 121.223 -0.154 0.000 2.221 600 L HA 0.201 4.541 4.340 0.001 0.000 0.202 600 L C 2.695 179.465 176.870 -0.167 0.000 1.074 600 L CA 0.672 55.366 54.840 -0.243 0.000 0.795 600 L CB -0.325 41.586 42.059 -0.248 0.000 0.960 600 L HN 0.030 nan 8.230 nan 0.000 0.458 601 R N -0.302 120.140 120.500 -0.096 0.000 2.159 601 R HA -0.107 4.233 4.340 0.001 0.000 0.237 601 R C 1.816 178.078 176.300 -0.064 0.000 1.131 601 R CA 1.655 57.718 56.100 -0.061 0.000 0.982 601 R CB -0.265 30.023 30.300 -0.020 0.000 0.868 601 R HN 0.331 nan 8.270 nan 0.000 0.453 602 T N 0.426 114.939 114.554 -0.069 0.000 3.065 602 T HA 0.102 4.452 4.350 0.001 0.000 0.252 602 T C 1.484 176.140 174.700 -0.073 0.000 1.099 602 T CA 0.043 62.108 62.100 -0.057 0.000 1.063 602 T CB 0.266 69.113 68.868 -0.034 0.000 0.948 602 T HN 0.062 nan 8.240 nan 0.000 0.506 603 L N 1.319 122.475 121.223 -0.111 0.000 2.240 603 L HA 0.162 4.503 4.340 0.001 0.000 0.211 603 L C 2.511 179.310 176.870 -0.118 0.000 1.106 603 L CA 1.307 56.073 54.840 -0.124 0.000 0.793 603 L CB -0.488 41.433 42.059 -0.230 0.000 0.927 603 L HN 0.234 nan 8.230 nan 0.000 0.446 604 R N 0.291 120.717 120.500 -0.122 0.000 2.057 604 R HA -0.071 4.270 4.340 0.001 0.000 0.224 604 R C 1.954 178.193 176.300 -0.101 0.000 1.136 604 R CA 0.448 56.481 56.100 -0.112 0.000 0.968 604 R CB -0.094 30.140 30.300 -0.109 0.000 0.863 604 R HN 0.178 nan 8.270 nan 0.000 0.433 605 R N 0.508 120.953 120.500 -0.091 0.000 2.397 605 R HA -0.107 4.234 4.340 0.001 0.000 0.213 605 R C 1.803 178.053 176.300 -0.083 0.000 1.102 605 R CA 0.965 57.010 56.100 -0.093 0.000 1.040 605 R CB -0.012 30.243 30.300 -0.076 0.000 0.844 605 R HN 0.252 nan 8.270 nan 0.000 0.478 606 K N -0.926 119.432 120.400 -0.070 0.000 2.436 606 K HA 0.036 4.356 4.320 0.001 0.000 0.198 606 K C 0.731 177.302 176.600 -0.048 0.000 1.174 606 K CA 0.877 57.134 56.287 -0.050 0.000 0.951 606 K CB 0.983 33.464 32.500 -0.032 0.000 1.040 606 K HN 0.197 nan 8.250 nan 0.000 0.536 607 G N 1.504 110.269 108.800 -0.059 0.000 2.159 607 G HA2 -0.143 3.818 3.960 0.001 0.000 0.170 607 G HA3 -0.143 3.818 3.960 0.001 0.000 0.170 607 G C 0.147 175.027 174.900 -0.033 0.000 1.007 607 G CA 0.267 45.338 45.100 -0.049 0.000 0.672 607 G HN 0.336 nan 8.290 nan 0.000 0.507 608 D N 0.105 120.481 120.400 -0.040 0.000 2.240 608 D HA 0.129 4.769 4.640 0.001 0.000 0.206 608 D C 1.344 177.612 176.300 -0.053 0.000 0.963 608 D CA 0.692 54.675 54.000 -0.028 0.000 0.863 608 D CB 0.564 41.357 40.800 -0.011 0.000 0.973 608 D HN 0.523 nan 8.370 nan 0.000 0.501 609 I N 1.895 122.409 120.570 -0.094 0.000 2.355 609 I HA 0.086 4.256 4.170 0.001 0.000 0.288 609 I C 0.365 176.435 176.117 -0.079 0.000 0.999 609 I CA -0.826 60.404 61.300 -0.115 0.000 1.163 609 I CB 1.120 39.008 38.000 -0.188 0.000 1.316 609 I HN -0.223 nan 8.210 nan 0.000 0.454 610 N N 8.570 127.244 118.700 -0.044 0.000 2.142 610 N HA -0.086 4.654 4.740 0.001 0.000 0.282 610 N C -1.634 173.849 175.510 -0.044 0.000 1.342 610 N CA -0.471 52.566 53.050 -0.021 0.000 0.831 610 N CB 0.929 39.424 38.487 0.014 0.000 1.083 610 N HN 0.345 nan 8.380 nan 0.000 0.492 611 P HA -0.168 nan 4.420 nan 0.000 0.223 611 P C 0.889 178.139 177.300 -0.083 0.000 1.140 611 P CA 1.051 64.066 63.100 -0.141 0.000 0.783 611 P CB 0.289 31.830 31.700 -0.266 0.000 0.759 612 E N -0.410 119.781 120.200 -0.016 0.000 2.021 612 E HA -0.052 4.298 4.350 0.001 0.000 0.189 612 E C 0.292 176.819 176.600 -0.122 0.000 0.980 612 E CA 0.276 56.616 56.400 -0.100 0.000 0.803 612 E CB -0.141 29.548 29.700 -0.018 0.000 0.766 612 E HN -0.169 nan 8.360 nan 0.000 0.449 613 V N 2.173 122.063 119.914 -0.040 0.000 2.992 613 V HA -0.139 3.981 4.120 0.001 0.000 0.294 613 V C 0.239 176.330 176.094 -0.006 0.000 1.254 613 V CA 0.920 63.217 62.300 -0.004 0.000 1.359 613 V CB 0.780 32.596 31.823 -0.011 0.000 0.914 613 V HN 0.402 nan 8.190 nan 0.000 0.519 614 S N 5.277 121.007 115.700 0.050 0.000 2.536 614 S HA 0.911 5.381 4.470 0.001 0.000 0.298 614 S C -0.903 173.721 174.600 0.040 0.000 1.083 614 S CA -1.042 57.194 58.200 0.060 0.000 0.995 614 S CB 1.946 65.218 63.200 0.121 0.000 1.058 614 S HN 0.554 nan 8.310 nan 0.000 0.488 615 M N 2.272 121.877 119.600 0.008 0.000 2.326 615 M HA 0.561 5.041 4.480 0.001 0.000 0.292 615 M C -1.777 174.523 176.300 0.000 0.000 1.081 615 M CA -0.456 54.825 55.300 -0.032 0.000 0.919 615 M CB 1.792 34.355 32.600 -0.062 0.000 1.634 615 M HN 0.513 nan 8.290 nan 0.000 0.451 616 I N 1.981 122.548 120.570 -0.005 0.000 2.498 616 I HA 0.515 4.686 4.170 0.001 0.000 0.290 616 I C -0.436 175.700 176.117 0.032 0.000 1.032 616 I CA -0.481 60.836 61.300 0.029 0.000 1.073 616 I CB 2.150 40.182 38.000 0.054 0.000 1.251 616 I HN 0.658 nan 8.210 nan 0.000 0.426 617 R N 4.176 124.704 120.500 0.047 0.000 2.246 617 R HA 0.282 4.623 4.340 0.001 0.000 0.332 617 R C -0.883 175.456 176.300 0.065 0.000 0.974 617 R CA -0.357 55.777 56.100 0.057 0.000 0.837 617 R CB 0.616 30.951 30.300 0.059 0.000 1.145 617 R HN 0.594 nan 8.270 nan 0.000 0.467 618 D N 6.610 127.053 120.400 0.071 0.000 2.564 618 D HA 0.090 4.730 4.640 0.001 0.000 0.226 618 D C 1.430 177.776 176.300 0.078 0.000 1.149 618 D CA -0.119 53.925 54.000 0.073 0.000 0.994 618 D CB 0.473 41.319 40.800 0.076 0.000 1.029 618 D HN 0.631 nan 8.370 nan 0.000 0.517 619 I N 1.564 122.177 120.570 0.071 0.000 2.052 619 I HA -0.358 3.812 4.170 0.001 0.000 0.235 619 I C 2.316 178.476 176.117 0.072 0.000 1.046 619 I CA 1.163 62.506 61.300 0.072 0.000 1.308 619 I CB -0.147 37.890 38.000 0.062 0.000 1.031 619 I HN 0.229 nan 8.210 nan 0.000 0.395 620 R N 0.206 120.744 120.500 0.063 0.000 2.276 620 R HA -0.241 4.100 4.340 0.001 0.000 0.243 620 R C 1.760 178.102 176.300 0.069 0.000 1.161 620 R CA 1.373 57.508 56.100 0.059 0.000 1.007 620 R CB -0.305 30.025 30.300 0.049 0.000 0.867 620 R HN 0.376 nan 8.270 nan 0.000 0.472 621 E N 0.272 120.519 120.200 0.079 0.000 2.490 621 E HA 0.074 4.424 4.350 0.001 0.000 0.209 621 E C -0.637 176.035 176.600 0.120 0.000 0.971 621 E CA 0.029 56.485 56.400 0.094 0.000 0.988 621 E CB 0.485 30.238 29.700 0.089 0.000 1.029 621 E HN 0.037 nan 8.360 nan 0.000 0.496 622 K N 1.271 121.739 120.400 0.113 0.000 3.585 622 K HA -0.186 4.134 4.320 0.001 0.000 0.275 622 K C -1.061 175.620 176.600 0.135 0.000 1.026 622 K CA 0.872 57.233 56.287 0.124 0.000 0.800 622 K CB -1.373 31.211 32.500 0.141 0.000 1.401 622 K HN 0.236 nan 8.250 nan 0.000 0.453 623 E N 0.297 120.572 120.200 0.126 0.000 2.390 623 E HA 0.478 4.829 4.350 0.001 0.000 0.277 623 E C -1.443 175.230 176.600 0.121 0.000 0.939 623 E CA -1.188 55.297 56.400 0.141 0.000 0.769 623 E CB 1.876 31.695 29.700 0.199 0.000 1.251 623 E HN 0.051 nan 8.360 nan 0.000 0.450 624 L N 2.222 123.518 121.223 0.122 0.000 2.342 624 L HA 0.379 4.719 4.340 0.001 0.000 0.276 624 L C -1.321 175.599 176.870 0.083 0.000 0.997 624 L CA -0.514 54.372 54.840 0.077 0.000 0.838 624 L CB 0.905 42.994 42.059 0.050 0.000 1.224 624 L HN 0.304 nan 8.230 nan 0.000 0.416 625 K N 6.680 127.076 120.400 -0.007 0.000 2.265 625 K HA 0.576 4.897 4.320 0.001 0.000 0.267 625 K C -1.087 175.315 176.600 -0.330 0.000 0.994 625 K CA -0.336 55.835 56.287 -0.194 0.000 0.860 625 K CB 2.024 34.413 32.500 -0.186 0.000 1.099 625 K HN 0.570 nan 8.250 nan 0.000 0.448 626 I N 3.918 124.189 120.570 -0.498 0.000 2.499 626 I HA 0.380 4.550 4.170 0.001 0.000 0.288 626 I C -0.957 174.865 176.117 -0.492 0.000 1.048 626 I CA -0.752 60.331 61.300 -0.362 0.000 1.062 626 I CB 1.286 39.188 38.000 -0.163 0.000 1.238 626 I HN 0.407 nan 8.210 nan 0.000 0.426 627 F N 3.564 123.532 119.950 0.030 0.000 2.532 627 F HA 0.401 4.928 4.527 0.001 0.000 0.321 627 F C 1.019 176.828 175.800 0.016 0.000 1.089 627 F CA -0.428 57.589 58.000 0.028 0.000 0.926 627 F CB 2.359 41.370 39.000 0.018 0.000 1.168 627 F HN 0.305 nan 8.300 nan 0.000 0.459 628 T N -0.859 113.845 114.554 0.250 0.000 2.964 628 T HA -0.007 4.343 4.350 0.001 0.000 0.249 628 T C 0.077 174.854 174.700 0.128 0.000 1.000 628 T CA -0.087 62.097 62.100 0.140 0.000 0.992 628 T CB -0.096 68.834 68.868 0.103 0.000 1.087 628 T HN 0.543 nan 8.240 nan 0.000 0.489 629 D N 2.151 122.636 120.400 0.142 0.000 2.860 629 D HA -0.069 4.572 4.640 0.001 0.000 0.210 629 D C -0.055 176.278 176.300 0.054 0.000 1.139 629 D CA 0.522 54.566 54.000 0.074 0.000 0.821 629 D CB 0.415 41.214 40.800 -0.003 0.000 1.196 629 D HN 0.343 nan 8.370 nan 0.000 0.522 630 A N 2.069 124.916 122.820 0.046 0.000 2.316 630 A HA 0.561 4.881 4.320 0.001 0.000 0.311 630 A C 0.948 178.545 177.584 0.020 0.000 1.339 630 A CA 0.406 52.474 52.037 0.051 0.000 0.960 630 A CB 0.411 19.449 19.000 0.064 0.000 1.152 630 A HN 0.771 nan 8.150 nan 0.000 0.547 631 G N 2.477 111.289 108.800 0.019 0.000 2.165 631 G HA2 -0.082 3.878 3.960 0.001 0.000 0.144 631 G HA3 -0.082 3.878 3.960 0.001 0.000 0.144 631 G C -0.153 174.703 174.900 -0.074 0.000 1.049 631 G CA -0.784 44.300 45.100 -0.027 0.000 0.741 631 G HN 0.749 nan 8.290 nan 0.000 0.493 632 R N 0.540 121.032 120.500 -0.013 0.000 2.229 632 R HA 0.545 4.885 4.340 0.001 0.000 0.332 632 R C 0.251 176.575 176.300 0.040 0.000 0.989 632 R CA -0.671 55.411 56.100 -0.028 0.000 0.842 632 R CB 2.239 32.555 30.300 0.027 0.000 1.119 632 R HN 0.068 nan 8.270 nan 0.000 0.456 633 V N 5.184 125.049 119.914 -0.082 0.000 2.521 633 V HA 0.085 4.206 4.120 0.001 0.000 0.286 633 V C -0.380 175.775 176.094 0.102 0.000 1.034 633 V CA 0.134 62.413 62.300 -0.035 0.000 1.045 633 V CB -0.332 31.543 31.823 0.087 0.000 0.974 633 V HN 0.644 nan 8.190 nan 0.000 0.480 634 Y N 4.239 124.545 120.300 0.009 0.000 2.553 634 Y HA 0.874 5.424 4.550 0.001 0.000 0.347 634 Y C -0.347 175.529 175.900 -0.040 0.000 1.019 634 Y CA -1.697 56.405 58.100 0.004 0.000 1.032 634 Y CB 1.365 39.816 38.460 -0.015 0.000 1.284 634 Y HN 0.654 nan 8.280 nan 0.000 0.466 635 R N 1.464 122.088 120.500 0.207 0.000 3.006 635 R HA 0.803 5.144 4.340 0.001 0.000 0.235 635 R C -3.186 173.214 176.300 0.168 0.000 1.362 635 R CA -1.947 54.208 56.100 0.092 0.000 1.067 635 R CB 2.040 32.374 30.300 0.057 0.000 1.396 635 R HN 0.544 nan 8.270 nan 0.000 0.504 636 P HA 0.523 nan 4.420 nan 0.000 0.301 636 P C -1.210 176.123 177.300 0.055 0.000 1.361 636 P CA -0.752 62.462 63.100 0.190 0.000 0.994 636 P CB 2.411 34.192 31.700 0.136 0.000 1.234 637 L N 1.812 123.096 121.223 0.101 0.000 2.424 637 L HA 0.502 4.842 4.340 0.001 0.000 0.258 637 L C 0.008 176.990 176.870 0.186 0.000 0.995 637 L CA -1.062 53.814 54.840 0.060 0.000 0.821 637 L CB 2.379 44.498 42.059 0.101 0.000 1.383 637 L HN 0.309 nan 8.230 nan 0.000 0.410 638 F N 1.998 122.000 119.950 0.086 0.000 2.418 638 F HA 0.365 4.892 4.527 0.001 0.000 0.341 638 F C 0.438 176.257 175.800 0.030 0.000 1.120 638 F CA -0.606 57.406 58.000 0.020 0.000 1.232 638 F CB 1.073 40.065 39.000 -0.013 0.000 1.175 638 F HN 0.151 nan 8.300 nan 0.000 0.569 639 I N 2.916 123.561 120.570 0.126 0.000 2.437 639 I HA 0.132 4.302 4.170 0.001 0.000 0.298 639 I C 0.335 176.384 176.117 -0.113 0.000 0.984 639 I CA -0.407 60.826 61.300 -0.111 0.000 1.214 639 I CB 1.888 39.799 38.000 -0.148 0.000 1.365 639 I HN 0.417 nan 8.210 nan 0.000 0.469 640 V N 2.353 122.177 119.914 -0.149 0.000 3.621 640 V HA 0.043 4.163 4.120 0.001 0.000 0.263 640 V C 0.470 176.515 176.094 -0.082 0.000 1.272 640 V CA -0.031 62.223 62.300 -0.077 0.000 1.080 640 V CB -0.612 31.217 31.823 0.010 0.000 0.816 640 V HN 0.697 nan 8.190 nan 0.000 0.451 641 E N 3.012 123.150 120.200 -0.103 0.000 2.612 641 E HA -0.225 4.125 4.350 0.001 0.000 0.331 641 E C 1.037 177.599 176.600 -0.064 0.000 0.695 641 E CA 0.941 57.296 56.400 -0.075 0.000 1.220 641 E CB -0.046 29.608 29.700 -0.076 0.000 0.606 641 E HN 0.754 nan 8.360 nan 0.000 0.452 642 D N 2.206 122.578 120.400 -0.047 0.000 2.411 642 D HA -0.204 4.436 4.640 0.001 0.000 0.226 642 D C -0.227 176.042 176.300 -0.051 0.000 0.988 642 D CA 0.207 54.173 54.000 -0.057 0.000 0.938 642 D CB -0.027 40.758 40.800 -0.024 0.000 0.883 642 D HN 0.184 nan 8.370 nan 0.000 0.525 643 D N 1.708 122.083 120.400 -0.042 0.000 2.773 643 D HA -0.034 4.606 4.640 0.001 0.000 0.225 643 D C -0.145 176.134 176.300 -0.034 0.000 1.065 643 D CA 0.646 54.628 54.000 -0.030 0.000 1.308 643 D CB -0.238 40.547 40.800 -0.025 0.000 1.144 643 D HN 0.283 nan 8.370 nan 0.000 0.462 644 E N 0.061 120.238 120.200 -0.038 0.000 2.593 644 E HA 0.047 4.398 4.350 0.001 0.000 0.232 644 E C 0.776 177.368 176.600 -0.013 0.000 1.026 644 E CA -0.186 56.192 56.400 -0.037 0.000 0.772 644 E CB 0.931 30.586 29.700 -0.076 0.000 1.310 644 E HN 0.109 nan 8.360 nan 0.000 0.413 645 S N 2.068 117.766 115.700 -0.004 0.000 2.488 645 S HA -0.113 4.358 4.470 0.001 0.000 0.246 645 S C 1.225 175.834 174.600 0.015 0.000 0.992 645 S CA 0.581 58.785 58.200 0.007 0.000 0.963 645 S CB -0.112 63.091 63.200 0.006 0.000 0.754 645 S HN 0.467 nan 8.310 nan 0.000 0.519 646 L N 1.909 123.141 121.223 0.015 0.000 3.048 646 L HA 0.547 4.887 4.340 0.001 0.000 0.234 646 L C 1.044 177.946 176.870 0.054 0.000 1.318 646 L CA -0.069 54.788 54.840 0.028 0.000 1.109 646 L CB -0.296 41.776 42.059 0.022 0.000 1.480 646 L HN 0.586 nan 8.230 nan 0.000 0.495 647 G N -0.966 107.875 108.800 0.068 0.000 2.250 647 G HA2 -0.131 3.829 3.960 0.001 0.000 0.252 647 G HA3 -0.131 3.829 3.960 0.001 0.000 0.252 647 G C -0.211 174.779 174.900 0.151 0.000 1.325 647 G CA -0.234 44.949 45.100 0.139 0.000 1.091 647 G HN 0.292 nan 8.290 nan 0.000 0.476 648 H N 0.936 120.023 119.070 0.029 0.000 2.022 648 H HA 0.603 5.160 4.556 0.001 0.000 0.247 648 H C 0.593 175.943 175.328 0.036 0.000 1.663 648 H CA 0.841 56.911 56.048 0.036 0.000 1.440 648 H CB -0.473 29.320 29.762 0.051 0.000 1.744 648 H HN 0.578 nan 8.280 nan 0.000 0.639 649 K N -0.220 120.045 120.400 -0.225 0.000 2.118 649 K HA 0.305 4.625 4.320 0.001 0.000 0.264 649 K C -0.745 175.580 176.600 -0.458 0.000 1.000 649 K CA -0.195 55.967 56.287 -0.208 0.000 0.929 649 K CB 0.732 33.250 32.500 0.030 0.000 1.021 649 K HN 0.687 nan 8.250 nan 0.000 0.463 650 E N 2.137 122.190 120.200 -0.244 0.000 2.401 650 E HA 0.180 4.530 4.350 0.001 0.000 0.283 650 E C -1.635 174.889 176.600 -0.126 0.000 1.053 650 E CA -0.500 55.776 56.400 -0.207 0.000 0.842 650 E CB 0.554 30.094 29.700 -0.266 0.000 1.222 650 E HN 0.442 nan 8.360 nan 0.000 0.429 651 L N 4.699 125.855 121.223 -0.112 0.000 2.640 651 L HA 0.004 4.344 4.340 0.001 0.000 0.280 651 L C 1.580 178.354 176.870 -0.159 0.000 1.229 651 L CA 0.374 55.126 54.840 -0.146 0.000 0.919 651 L CB 0.284 42.222 42.059 -0.201 0.000 1.168 651 L HN 0.648 nan 8.230 nan 0.000 0.496 652 K N 2.193 122.492 120.400 -0.169 0.000 2.147 652 K HA -0.061 4.260 4.320 0.001 0.000 0.205 652 K C 0.418 176.910 176.600 -0.180 0.000 1.049 652 K CA 0.759 56.956 56.287 -0.150 0.000 0.936 652 K CB 0.048 32.458 32.500 -0.151 0.000 0.722 652 K HN 0.397 nan 8.250 nan 0.000 0.446 653 V N 2.507 122.234 119.914 -0.312 0.000 2.775 653 V HA 0.084 4.205 4.120 0.001 0.000 0.299 653 V C 0.403 176.453 176.094 -0.074 0.000 1.062 653 V CA -0.150 61.950 62.300 -0.334 0.000 1.063 653 V CB 1.160 32.649 31.823 -0.556 0.000 0.994 653 V HN 0.221 nan 8.190 nan 0.000 0.483 654 R N 2.237 122.881 120.500 0.241 0.000 2.808 654 R HA 0.368 4.708 4.340 0.001 0.000 0.272 654 R C 0.596 176.956 176.300 0.100 0.000 0.995 654 R CA -1.074 55.095 56.100 0.115 0.000 0.917 654 R CB 0.981 31.332 30.300 0.085 0.000 1.217 654 R HN 0.584 nan 8.270 nan 0.000 0.471 655 K N 0.598 121.024 120.400 0.043 0.000 2.520 655 K HA -0.149 4.171 4.320 0.001 0.000 0.198 655 K C 1.415 178.038 176.600 0.038 0.000 1.045 655 K CA 1.856 58.170 56.287 0.046 0.000 0.934 655 K CB -0.236 32.283 32.500 0.032 0.000 0.766 655 K HN 0.744 nan 8.250 nan 0.000 0.483 656 G N -0.915 107.882 108.800 -0.004 0.000 2.437 656 G HA2 -0.152 3.808 3.960 0.001 0.000 0.212 656 G HA3 -0.152 3.808 3.960 0.001 0.000 0.212 656 G C 1.022 175.904 174.900 -0.030 0.000 1.174 656 G CA 0.096 45.155 45.100 -0.068 0.000 0.811 656 G HN 0.315 nan 8.290 nan 0.000 0.537 657 H N 0.662 119.778 119.070 0.076 0.000 2.353 657 H HA -0.052 4.504 4.556 0.001 0.000 0.298 657 H C 2.618 178.109 175.328 0.271 0.000 1.103 657 H CA 1.350 57.524 56.048 0.211 0.000 1.293 657 H CB -0.070 29.778 29.762 0.143 0.000 1.372 657 H HN 0.295 nan 8.280 nan 0.000 0.501 658 I N 0.520 121.253 120.570 0.271 0.000 2.090 658 I HA -0.246 3.925 4.170 0.001 0.000 0.236 658 I C 2.808 179.042 176.117 0.195 0.000 1.064 658 I CA 1.090 62.519 61.300 0.216 0.000 1.324 658 I CB -0.393 37.700 38.000 0.156 0.000 1.044 658 I HN 0.152 nan 8.210 nan 0.000 0.399 659 A N 0.076 122.974 122.820 0.131 0.000 2.076 659 A HA -0.261 4.059 4.320 0.001 0.000 0.220 659 A C 2.244 179.893 177.584 0.108 0.000 1.160 659 A CA 1.639 53.734 52.037 0.098 0.000 0.653 659 A CB -0.557 18.472 19.000 0.048 0.000 0.801 659 A HN 0.379 nan 8.150 nan 0.000 0.455 660 K N -0.848 119.631 120.400 0.132 0.000 2.487 660 K HA 0.245 4.566 4.320 0.001 0.000 0.192 660 K C 1.262 178.061 176.600 0.331 0.000 1.027 660 K CA 0.181 56.530 56.287 0.103 0.000 1.054 660 K CB -0.092 32.334 32.500 -0.124 0.000 0.824 660 K HN 0.527 nan 8.250 nan 0.000 0.510 661 L N -0.450 120.991 121.223 0.364 0.000 2.347 661 L HA 0.115 4.455 4.340 0.001 0.000 0.196 661 L C 1.992 179.015 176.870 0.254 0.000 1.072 661 L CA 0.197 55.250 54.840 0.355 0.000 0.817 661 L CB -0.071 42.161 42.059 0.288 0.000 1.029 661 L HN 0.140 nan 8.230 nan 0.000 0.478 662 M N -0.112 119.617 119.600 0.214 0.000 2.629 662 M HA -0.136 4.345 4.480 0.001 0.000 0.257 662 M C 2.021 178.429 176.300 0.181 0.000 1.071 662 M CA 1.119 56.531 55.300 0.187 0.000 1.077 662 M CB -0.340 32.351 32.600 0.152 0.000 1.423 662 M HN 0.311 nan 8.290 nan 0.000 0.508 663 A N -0.337 122.590 122.820 0.177 0.000 1.975 663 A HA -0.035 4.286 4.320 0.001 0.000 0.215 663 A C 2.099 179.807 177.584 0.206 0.000 1.170 663 A CA 1.310 53.447 52.037 0.167 0.000 0.656 663 A CB -0.498 18.573 19.000 0.118 0.000 0.821 663 A HN 0.381 nan 8.150 nan 0.000 0.449 664 T N -0.511 114.168 114.554 0.209 0.000 3.014 664 T HA -0.005 4.345 4.350 0.001 0.000 0.263 664 T C 1.671 176.480 174.700 0.180 0.000 1.078 664 T CA 0.954 63.170 62.100 0.193 0.000 1.135 664 T CB -0.008 68.989 68.868 0.215 0.000 0.895 664 T HN 0.529 nan 8.240 nan 0.000 0.480 665 E N 0.416 120.736 120.200 0.200 0.000 2.051 665 E HA -0.139 4.211 4.350 0.001 0.000 0.192 665 E C 1.851 178.563 176.600 0.186 0.000 0.991 665 E CA 0.961 57.472 56.400 0.184 0.000 0.799 665 E CB -0.209 29.608 29.700 0.194 0.000 0.748 665 E HN 0.496 nan 8.360 nan 0.000 0.449 666 Y N 1.806 122.152 120.300 0.077 0.000 2.256 666 Y HA -0.179 4.371 4.550 0.001 0.000 0.288 666 Y C 1.161 177.091 175.900 0.049 0.000 1.155 666 Y CA 1.340 59.475 58.100 0.058 0.000 1.203 666 Y CB 0.000 38.493 38.460 0.054 0.000 0.980 666 Y HN -0.022 nan 8.280 nan 0.000 0.530 667 Q N 1.614 121.419 119.800 0.008 0.000 2.945 667 Q HA 0.092 4.433 4.340 0.001 0.000 0.323 667 Q C -0.833 175.133 176.000 -0.056 0.000 1.188 667 Q CA 0.090 55.847 55.803 -0.077 0.000 0.929 667 Q CB -0.112 28.637 28.738 0.018 0.000 1.531 667 Q HN 0.401 nan 8.270 nan 0.000 0.444 679 Y N 4.115 124.470 120.300 0.092 0.000 2.717 679 Y HA 0.372 4.922 4.550 0.001 0.000 0.329 679 Y C 0.495 176.474 175.900 0.130 0.000 1.017 679 Y CA -0.494 57.665 58.100 0.099 0.000 1.275 679 Y CB 0.357 38.876 38.460 0.098 0.000 1.109 679 Y HN 0.210 nan 8.280 nan 0.000 0.511 680 T N 1.077 115.687 114.554 0.095 0.000 3.133 680 T HA 0.009 4.360 4.350 0.001 0.000 0.329 680 T C 1.175 175.910 174.700 0.058 0.000 1.248 680 T CA -0.227 61.936 62.100 0.105 0.000 0.933 680 T CB 0.240 69.203 68.868 0.157 0.000 1.943 680 T HN 0.728 nan 8.240 nan 0.000 0.572 681 W N 0.126 121.432 121.300 0.009 0.000 2.560 681 W HA 0.001 4.662 4.660 0.001 0.000 0.303 681 W C 2.375 178.890 176.519 -0.007 0.000 1.151 681 W CA 0.918 58.279 57.345 0.026 0.000 1.426 681 W CB -0.662 28.886 29.460 0.147 0.000 1.135 681 W HN 0.610 nan 8.180 nan 0.000 0.522 682 S N 0.952 116.739 115.700 0.146 0.000 2.434 682 S HA -0.297 4.174 4.470 0.001 0.000 0.243 682 S C 2.004 176.532 174.600 -0.120 0.000 1.045 682 S CA 2.386 60.595 58.200 0.016 0.000 1.019 682 S CB -0.468 62.798 63.200 0.110 0.000 0.811 682 S HN 0.519 nan 8.310 nan 0.000 0.485 683 S N 1.359 116.980 115.700 -0.132 0.000 2.335 683 S HA 0.010 4.480 4.470 0.001 0.000 0.217 683 S C 1.724 176.166 174.600 -0.264 0.000 1.032 683 S CA 0.995 59.117 58.200 -0.129 0.000 0.985 683 S CB -0.788 62.362 63.200 -0.084 0.000 0.896 683 S HN 0.415 nan 8.310 nan 0.000 0.445 684 L N 0.855 121.799 121.223 -0.464 0.000 2.351 684 L HA -0.035 4.305 4.340 0.001 0.000 0.220 684 L C 2.426 178.984 176.870 -0.520 0.000 1.127 684 L CA 0.895 55.421 54.840 -0.523 0.000 0.786 684 L CB -0.656 40.997 42.059 -0.678 0.000 0.914 684 L HN 0.358 nan 8.230 nan 0.000 0.443 685 L N -1.160 119.741 121.223 -0.537 0.000 2.221 685 L HA 0.098 4.439 4.340 0.001 0.000 0.202 685 L C 1.792 178.501 176.870 -0.267 0.000 1.074 685 L CA 1.423 55.991 54.840 -0.453 0.000 0.795 685 L CB -0.402 41.352 42.059 -0.509 0.000 0.960 685 L HN 0.162 nan 8.230 nan 0.000 0.458 686 N N 0.373 118.959 118.700 -0.191 0.000 2.383 686 N HA -0.015 4.726 4.740 0.001 0.000 0.192 686 N C 0.349 175.812 175.510 -0.078 0.000 1.141 686 N CA 0.345 53.330 53.050 -0.109 0.000 0.851 686 N CB 0.204 38.655 38.487 -0.059 0.000 0.976 686 N HN 0.554 nan 8.380 nan 0.000 0.465 687 E N -0.206 119.931 120.200 -0.104 0.000 2.734 687 E HA 0.155 4.506 4.350 0.001 0.000 0.211 687 E C -0.071 176.465 176.600 -0.107 0.000 0.991 687 E CA -0.473 55.889 56.400 -0.063 0.000 1.065 687 E CB 0.373 30.066 29.700 -0.012 0.000 1.047 687 E HN 0.179 nan 8.360 nan 0.000 0.470 688 G N 1.827 110.549 108.800 -0.130 0.000 2.196 688 G HA2 -0.250 3.711 3.960 0.001 0.000 0.261 688 G HA3 -0.250 3.711 3.960 0.001 0.000 0.261 688 G C 0.435 175.244 174.900 -0.152 0.000 0.832 688 G CA 0.588 45.609 45.100 -0.132 0.000 1.246 688 G HN 0.376 nan 8.290 nan 0.000 0.383 689 L N -0.833 120.270 121.223 -0.200 0.000 2.948 689 L HA 0.315 4.655 4.340 0.001 0.000 0.259 689 L C 0.354 177.148 176.870 -0.126 0.000 1.136 689 L CA 0.025 54.734 54.840 -0.219 0.000 0.959 689 L CB 0.730 42.577 42.059 -0.353 0.000 1.370 689 L HN 0.233 nan 8.230 nan 0.000 0.552 690 V N -0.257 119.572 119.914 -0.142 0.000 2.888 690 V HA 0.401 4.521 4.120 0.001 0.000 0.309 690 V C -1.013 175.025 176.094 -0.092 0.000 1.114 690 V CA -0.677 61.592 62.300 -0.052 0.000 0.940 690 V CB 3.030 34.760 31.823 -0.154 0.000 1.021 690 V HN 0.034 nan 8.190 nan 0.000 0.426 691 E N 1.364 121.591 120.200 0.044 0.000 2.336 691 E HA 0.496 4.846 4.350 0.001 0.000 0.267 691 E C -1.655 175.046 176.600 0.168 0.000 0.906 691 E CA -0.800 55.615 56.400 0.024 0.000 0.781 691 E CB 2.424 32.191 29.700 0.112 0.000 1.261 691 E HN 0.724 nan 8.360 nan 0.000 0.436 692 Y N 2.665 122.971 120.300 0.010 0.000 2.650 692 Y HA 0.291 4.841 4.550 0.001 0.000 0.343 692 Y C 0.041 175.921 175.900 -0.033 0.000 1.078 692 Y CA -0.645 57.451 58.100 -0.007 0.000 1.356 692 Y CB 0.394 38.712 38.460 -0.238 0.000 1.204 692 Y HN 0.221 nan 8.280 nan 0.000 0.508 693 I N 5.112 125.792 120.570 0.183 0.000 2.297 693 I HA 0.035 4.205 4.170 0.001 0.000 0.291 693 I C 0.257 176.472 176.117 0.162 0.000 1.033 693 I CA -0.617 60.741 61.300 0.096 0.000 1.253 693 I CB 0.420 38.407 38.000 -0.021 0.000 1.396 693 I HN 0.633 nan 8.210 nan 0.000 0.476 694 D N 6.071 126.569 120.400 0.163 0.000 2.376 694 D HA 0.131 4.772 4.640 0.001 0.000 0.268 694 D C 1.051 177.461 176.300 0.183 0.000 1.252 694 D CA -0.373 53.749 54.000 0.202 0.000 1.041 694 D CB 0.715 41.622 40.800 0.177 0.000 1.109 694 D HN 0.425 nan 8.370 nan 0.000 0.552 695 A N -0.820 122.121 122.820 0.201 0.000 1.930 695 A HA -0.106 4.215 4.320 0.001 0.000 0.215 695 A C 2.062 179.792 177.584 0.243 0.000 1.176 695 A CA 1.698 53.882 52.037 0.245 0.000 0.632 695 A CB -0.853 18.340 19.000 0.321 0.000 0.819 695 A HN 0.612 nan 8.150 nan 0.000 0.445 696 E N 0.358 120.667 120.200 0.182 0.000 2.038 696 E HA -0.222 4.128 4.350 0.001 0.000 0.195 696 E C 1.927 178.616 176.600 0.147 0.000 1.000 696 E CA 1.921 58.408 56.400 0.145 0.000 0.803 696 E CB -0.251 29.525 29.700 0.126 0.000 0.750 696 E HN 0.682 nan 8.360 nan 0.000 0.448 697 E N -0.168 120.112 120.200 0.133 0.000 2.150 697 E HA -0.204 4.146 4.350 0.001 0.000 0.193 697 E C 1.919 178.568 176.600 0.081 0.000 0.985 697 E CA 0.863 57.321 56.400 0.097 0.000 0.814 697 E CB -0.088 29.658 29.700 0.075 0.000 0.752 697 E HN 0.354 nan 8.360 nan 0.000 0.466 698 E N 0.452 120.707 120.200 0.092 0.000 2.219 698 E HA -0.257 4.094 4.350 0.001 0.000 0.198 698 E C 1.802 178.451 176.600 0.083 0.000 0.998 698 E CA 0.959 57.404 56.400 0.075 0.000 0.818 698 E CB 0.132 29.901 29.700 0.115 0.000 0.741 698 E HN 0.170 nan 8.360 nan 0.000 0.477 699 E N 0.347 120.619 120.200 0.119 0.000 2.058 699 E HA -0.144 4.207 4.350 0.001 0.000 0.194 699 E C 1.338 177.988 176.600 0.084 0.000 0.997 699 E CA 1.427 57.899 56.400 0.120 0.000 0.801 699 E CB -0.162 29.632 29.700 0.157 0.000 0.746 699 E HN 0.247 nan 8.360 nan 0.000 0.450 700 S N 0.547 116.295 115.700 0.080 0.000 2.738 700 S HA 0.438 4.908 4.470 0.001 0.000 0.227 700 S C 0.568 175.214 174.600 0.076 0.000 1.311 700 S CA -0.627 57.616 58.200 0.071 0.000 1.249 700 S CB -0.987 62.256 63.200 0.071 0.000 1.030 700 S HN 0.290 nan 8.310 nan 0.000 0.512 701 I N -2.284 118.330 120.570 0.074 0.000 3.149 701 I HA 0.755 4.925 4.170 0.001 0.000 0.310 701 I C -2.197 173.978 176.117 0.097 0.000 1.343 701 I CA -1.564 59.799 61.300 0.105 0.000 0.955 701 I CB 1.576 39.636 38.000 0.101 0.000 1.309 701 I HN 0.206 nan 8.210 nan 0.000 0.478 702 L N 3.268 124.579 121.223 0.146 0.000 2.323 702 L HA 0.791 5.132 4.340 0.001 0.000 0.265 702 L C -1.342 175.668 176.870 0.233 0.000 1.012 702 L CA -0.663 54.267 54.840 0.150 0.000 0.820 702 L CB 1.887 44.019 42.059 0.121 0.000 1.334 702 L HN 0.647 nan 8.230 nan 0.000 0.427 703 I N 2.103 122.809 120.570 0.227 0.000 2.802 703 I HA 0.685 4.855 4.170 0.001 0.000 0.298 703 I C -0.684 175.486 176.117 0.088 0.000 1.176 703 I CA -0.942 60.462 61.300 0.173 0.000 1.025 703 I CB 2.091 40.129 38.000 0.064 0.000 1.243 703 I HN 0.758 nan 8.210 nan 0.000 0.424 704 A N 4.103 126.861 122.820 -0.103 0.000 2.306 704 A HA 0.591 4.912 4.320 0.001 0.000 0.314 704 A C 0.386 177.839 177.584 -0.218 0.000 1.164 704 A CA -0.438 51.352 52.037 -0.411 0.000 0.822 704 A CB 1.285 19.887 19.000 -0.663 0.000 1.130 704 A HN 0.802 nan 8.150 nan 0.000 0.496 705 M N 0.841 120.307 119.600 -0.223 0.000 2.074 705 M HA 0.010 4.491 4.480 0.001 0.000 0.258 705 M C 0.849 177.045 176.300 -0.173 0.000 1.083 705 M CA 1.927 57.123 55.300 -0.174 0.000 1.128 705 M CB -0.310 32.184 32.600 -0.177 0.000 1.301 705 M HN 0.748 nan 8.290 nan 0.000 0.417 706 Q N 0.414 120.109 119.800 -0.175 0.000 2.256 706 Q HA 0.246 4.586 4.340 0.001 0.000 0.257 706 Q C -1.841 174.089 176.000 -0.118 0.000 0.936 706 Q CA -1.871 53.853 55.803 -0.131 0.000 0.903 706 Q CB 1.315 29.986 28.738 -0.111 0.000 1.263 706 Q HN 0.193 nan 8.270 nan 0.000 0.440 707 P HA -0.260 nan 4.420 nan 0.000 0.216 707 P C 0.074 177.345 177.300 -0.048 0.000 1.150 707 P CA 1.541 64.630 63.100 -0.019 0.000 0.837 707 P CB 0.479 32.216 31.700 0.063 0.000 0.786 708 E N -0.039 120.133 120.200 -0.046 0.000 2.928 708 E HA -0.053 4.297 4.350 0.001 0.000 0.352 708 E C 1.572 178.104 176.600 -0.112 0.000 0.523 708 E CA -0.408 55.960 56.400 -0.053 0.000 2.011 708 E CB -1.215 28.469 29.700 -0.027 0.000 1.898 708 E HN -0.146 nan 8.360 nan 0.000 0.516 709 D N 0.736 121.063 120.400 -0.122 0.000 7.136 709 D HA -0.240 4.400 4.640 0.001 0.000 0.223 709 D C 1.344 177.456 176.300 -0.313 0.000 1.984 709 D CA 1.800 55.686 54.000 -0.190 0.000 0.688 709 D CB -0.316 40.410 40.800 -0.124 0.000 0.682 709 D HN 0.278 nan 8.370 nan 0.000 0.940 710 L N 0.531 121.616 121.223 -0.231 0.000 2.998 710 L HA 0.147 4.487 4.340 0.001 0.000 0.234 710 L C 1.253 178.032 176.870 -0.150 0.000 1.350 710 L CA 0.039 54.754 54.840 -0.208 0.000 1.202 710 L CB 0.177 42.051 42.059 -0.309 0.000 1.583 710 L HN -0.035 nan 8.230 nan 0.000 0.456 711 E N -0.595 119.545 120.200 -0.100 0.000 3.383 711 E HA 0.157 4.508 4.350 0.001 0.000 0.256 711 E C -1.779 174.886 176.600 0.108 0.000 1.197 711 E CA -0.062 56.396 56.400 0.096 0.000 1.851 711 E CB -0.295 29.457 29.700 0.087 0.000 2.128 711 E HN 0.256 nan 8.360 nan 0.000 0.951 712 P HA 0.117 nan 4.420 nan 0.000 0.281 712 P C -0.165 177.102 177.300 -0.056 0.000 1.274 712 P CA 0.197 63.242 63.100 -0.093 0.000 0.794 712 P CB 0.480 32.134 31.700 -0.075 0.000 1.201 713 A N -0.715 122.069 122.820 -0.061 0.000 2.257 713 A HA 0.329 4.649 4.320 0.001 0.000 0.290 713 A C 0.039 177.688 177.584 0.108 0.000 1.201 713 A CA -0.377 51.673 52.037 0.021 0.000 0.863 713 A CB 0.014 18.993 19.000 -0.035 0.000 1.256 713 A HN 0.627 nan 8.150 nan 0.000 0.506 714 E N -0.590 119.667 120.200 0.096 0.000 2.235 714 E HA 0.540 4.890 4.350 0.001 0.000 0.252 714 E C -0.523 176.104 176.600 0.044 0.000 0.886 714 E CA -0.536 55.919 56.400 0.091 0.000 0.767 714 E CB 1.189 30.937 29.700 0.080 0.000 1.205 714 E HN 0.840 nan 8.360 nan 0.000 0.421 723 V N 3.072 123.000 119.914 0.023 0.000 2.417 723 V HA 0.259 4.379 4.120 0.001 0.000 0.291 723 V C 0.058 176.167 176.094 0.025 0.000 1.024 723 V CA -0.837 61.478 62.300 0.025 0.000 0.861 723 V CB 2.156 33.994 31.823 0.026 0.000 0.985 723 V HN 0.021 nan 8.190 nan 0.000 0.436 724 D N 6.801 127.218 120.400 0.027 0.000 2.648 724 D HA -0.004 4.637 4.640 0.001 0.000 0.229 724 D C -1.329 174.987 176.300 0.027 0.000 1.119 724 D CA -0.200 53.817 54.000 0.029 0.000 0.850 724 D CB 1.578 42.398 40.800 0.034 0.000 1.169 724 D HN 0.424 nan 8.370 nan 0.000 0.489 725 P HA 0.106 nan 4.420 nan 0.000 0.257 725 P C 0.126 177.440 177.300 0.024 0.000 1.281 725 P CA 0.109 63.223 63.100 0.023 0.000 0.826 725 P CB 0.667 32.379 31.700 0.020 0.000 1.237 726 A N -0.166 122.671 122.820 0.028 0.000 1.997 726 A HA 0.166 4.486 4.320 0.001 0.000 0.198 726 A C 1.304 178.909 177.584 0.036 0.000 1.449 726 A CA 0.217 52.272 52.037 0.029 0.000 0.908 726 A CB -0.093 18.923 19.000 0.028 0.000 0.984 726 A HN 0.023 nan 8.150 nan 0.000 0.487 727 K N 0.758 121.183 120.400 0.041 0.000 2.191 727 K HA 0.098 4.418 4.320 0.001 0.000 0.244 727 K C 0.804 177.433 176.600 0.049 0.000 1.083 727 K CA 0.322 56.639 56.287 0.051 0.000 0.800 727 K CB 0.126 32.657 32.500 0.052 0.000 1.088 727 K HN 0.611 nan 8.250 nan 0.000 0.525 728 R N -0.069 120.463 120.500 0.054 0.000 2.542 728 R HA 0.383 4.723 4.340 0.001 0.000 0.227 728 R C -0.027 176.296 176.300 0.037 0.000 1.257 728 R CA -0.478 55.650 56.100 0.046 0.000 1.053 728 R CB 0.129 30.458 30.300 0.048 0.000 1.463 728 R HN 0.419 nan 8.270 nan 0.000 0.550 729 I N 1.079 121.668 120.570 0.032 0.000 2.583 729 I HA 0.318 4.489 4.170 0.001 0.000 0.276 729 I C -0.475 175.656 176.117 0.024 0.000 1.089 729 I CA -0.553 60.763 61.300 0.028 0.000 1.103 729 I CB 1.525 39.541 38.000 0.026 0.000 1.209 729 I HN 0.495 nan 8.210 nan 0.000 0.484 730 R N 3.269 123.781 120.500 0.021 0.000 2.390 730 R HA 0.421 4.762 4.340 0.001 0.000 0.291 730 R C 0.637 176.947 176.300 0.016 0.000 1.070 730 R CA -0.459 55.647 56.100 0.011 0.000 1.014 730 R CB 1.728 32.028 30.300 0.000 0.000 1.007 730 R HN 0.307 nan 8.270 nan 0.000 0.466 731 V N 1.305 121.228 119.914 0.014 0.000 2.747 731 V HA -0.130 3.990 4.120 0.001 0.000 0.147 731 V C 0.789 176.892 176.094 0.016 0.000 0.734 731 V CA 0.779 63.094 62.300 0.024 0.000 1.291 731 V CB -0.031 31.812 31.823 0.032 0.000 0.874 731 V HN 0.787 nan 8.190 nan 0.000 0.384 732 S N -1.003 114.692 115.700 -0.008 0.000 2.806 732 S HA 0.478 4.948 4.470 0.001 0.000 0.306 732 S C -0.350 174.257 174.600 0.011 0.000 1.167 732 S CA -0.379 57.770 58.200 -0.085 0.000 0.847 732 S CB 1.269 64.124 63.200 -0.574 0.000 1.216 732 S HN 0.846 nan 8.310 nan 0.000 0.532 733 H N 0.186 119.144 119.070 -0.187 0.000 2.507 733 H HA 0.315 4.871 4.556 0.001 0.000 0.281 733 H C -0.646 174.727 175.328 0.076 0.000 1.160 733 H CA -0.446 55.631 56.048 0.049 0.000 0.981 733 H CB -1.027 28.777 29.762 0.071 0.000 1.665 733 H HN 0.454 nan 8.280 nan 0.000 0.554 734 H N 2.065 121.143 119.070 0.014 0.000 3.792 734 H HA 0.490 5.046 4.556 0.001 0.000 0.229 734 H C 0.105 175.392 175.328 -0.067 0.000 1.632 734 H CA 0.545 56.556 56.048 -0.062 0.000 1.522 734 H CB -0.703 29.023 29.762 -0.060 0.000 1.822 734 H HN 0.733 nan 8.280 nan 0.000 0.672 735 A N 0.932 123.744 122.820 -0.013 0.000 2.599 735 A HA 0.280 4.600 4.320 0.001 0.000 0.306 735 A C -0.203 177.147 177.584 -0.390 0.000 1.014 735 A CA -0.778 51.100 52.037 -0.264 0.000 0.784 735 A CB 0.523 19.234 19.000 -0.482 0.000 1.229 735 A HN 0.248 nan 8.150 nan 0.000 0.398 736 T N 2.569 116.961 114.554 -0.270 0.000 3.427 736 T HA 0.493 4.843 4.350 0.001 0.000 0.306 736 T C 0.504 175.100 174.700 -0.174 0.000 1.733 736 T CA 0.547 62.561 62.100 -0.143 0.000 1.599 736 T CB -0.001 68.866 68.868 -0.002 0.000 0.964 736 T HN 0.820 nan 8.240 nan 0.000 0.701 737 T N -0.764 113.583 114.554 -0.344 0.000 3.074 737 T HA 0.221 4.571 4.350 0.001 0.000 0.258 737 T C 0.584 175.233 174.700 -0.085 0.000 0.891 737 T CA -0.479 61.510 62.100 -0.185 0.000 0.867 737 T CB -0.205 68.551 68.868 -0.186 0.000 1.261 737 T HN 0.468 nan 8.240 nan 0.000 0.537 738 F N 4.270 124.246 119.950 0.043 0.000 2.117 738 F HA -0.138 4.389 4.527 0.001 0.000 0.413 738 F C 2.174 177.989 175.800 0.026 0.000 0.938 738 F CA 0.357 58.384 58.000 0.045 0.000 0.946 738 F CB -0.313 38.715 39.000 0.047 0.000 0.763 738 F HN 0.243 nan 8.300 nan 0.000 0.493 739 T N -0.467 114.221 114.554 0.223 0.000 2.851 739 T HA -0.022 4.328 4.350 0.001 0.000 0.262 739 T C 0.324 174.942 174.700 -0.138 0.000 1.043 739 T CA 0.963 63.107 62.100 0.074 0.000 1.140 739 T CB -0.114 68.884 68.868 0.217 0.000 0.872 739 T HN 0.543 nan 8.240 nan 0.000 0.446 740 H N -1.191 117.958 119.070 0.132 0.000 2.908 740 H HA 0.761 5.318 4.556 0.001 0.000 0.350 740 H C -1.182 174.202 175.328 0.092 0.000 1.217 740 H CA -1.248 54.867 56.048 0.111 0.000 1.168 740 H CB 1.622 31.442 29.762 0.096 0.000 1.891 740 H HN 0.341 nan 8.280 nan 0.000 0.566 741 C N 1.039 120.476 119.300 0.228 0.000 2.782 741 C HA 0.375 4.836 4.460 0.001 0.000 0.328 741 C C -0.511 174.511 174.990 0.054 0.000 1.145 741 C CA -0.518 58.564 59.018 0.107 0.000 1.358 741 C CB 0.601 28.392 27.740 0.086 0.000 1.841 741 C HN 0.942 nan 8.230 nan 0.000 0.477 742 E N 3.652 123.835 120.200 -0.027 0.000 2.417 742 E HA 0.099 4.449 4.350 0.001 0.000 0.261 742 E C 1.375 177.823 176.600 -0.253 0.000 1.000 742 E CA 0.031 56.366 56.400 -0.108 0.000 0.919 742 E CB 0.433 30.108 29.700 -0.041 0.000 0.955 742 E HN 0.514 nan 8.360 nan 0.000 0.455 743 I N 2.445 122.739 120.570 -0.461 0.000 2.087 743 I HA -0.223 3.947 4.170 0.001 0.000 0.240 743 I C 0.927 176.880 176.117 -0.274 0.000 1.054 743 I CA 1.785 62.718 61.300 -0.612 0.000 1.311 743 I CB -1.199 36.484 38.000 -0.529 0.000 1.024 743 I HN 0.614 nan 8.210 nan 0.000 0.402 744 H N 0.039 118.913 119.070 -0.327 0.000 3.079 744 H HA 0.263 4.820 4.556 0.001 0.000 0.356 744 H C -2.040 173.209 175.328 -0.132 0.000 1.221 744 H CA -1.044 54.832 56.048 -0.287 0.000 1.185 744 H CB 2.423 31.863 29.762 -0.535 0.000 1.882 744 H HN -0.276 nan 8.280 nan 0.000 0.543 745 P HA -0.138 nan 4.420 nan 0.000 0.216 745 P C 1.029 178.423 177.300 0.157 0.000 1.153 745 P CA 1.610 64.622 63.100 -0.146 0.000 0.844 745 P CB 0.074 31.484 31.700 -0.483 0.000 0.787 746 S N -1.329 114.664 115.700 0.488 0.000 2.609 746 S HA -0.065 4.405 4.470 0.001 0.000 0.250 746 S C 1.428 176.184 174.600 0.261 0.000 0.974 746 S CA 0.665 59.175 58.200 0.517 0.000 0.962 746 S CB -1.084 62.482 63.200 0.610 0.000 0.756 746 S HN -0.050 nan 8.310 nan 0.000 0.539 747 M N 1.061 120.745 119.600 0.141 0.000 2.431 747 M HA 0.374 4.854 4.480 0.001 0.000 0.237 747 M C 1.394 177.659 176.300 -0.059 0.000 1.130 747 M CA -0.179 55.157 55.300 0.059 0.000 1.002 747 M CB -0.797 31.820 32.600 0.029 0.000 1.524 747 M HN 0.560 nan 8.290 nan 0.000 0.482 748 I N -2.297 118.178 120.570 -0.159 0.000 2.876 748 I HA -0.006 4.164 4.170 0.001 0.000 0.264 748 I C 0.939 176.932 176.117 -0.207 0.000 1.204 748 I CA 0.203 61.289 61.300 -0.358 0.000 1.485 748 I CB -0.366 37.207 38.000 -0.712 0.000 1.103 748 I HN -0.008 nan 8.210 nan 0.000 0.446 749 L N 1.672 122.836 121.223 -0.098 0.000 2.476 749 L HA 0.437 4.777 4.340 0.001 0.000 0.255 749 L C 0.682 177.521 176.870 -0.052 0.000 1.218 749 L CA -0.080 54.718 54.840 -0.069 0.000 0.819 749 L CB 0.205 42.241 42.059 -0.037 0.000 1.119 749 L HN 0.194 nan 8.230 nan 0.000 0.485 750 G N -0.950 107.817 108.800 -0.057 0.000 2.533 750 G HA2 0.470 4.430 3.960 0.001 0.000 0.304 750 G HA3 0.470 4.430 3.960 0.001 0.000 0.304 750 G C 0.686 175.554 174.900 -0.054 0.000 1.263 750 G CA -0.451 44.620 45.100 -0.048 0.000 0.964 750 G HN 0.473 nan 8.290 nan 0.000 0.479 751 V N 1.444 121.326 119.914 -0.053 0.000 2.308 751 V HA -0.432 3.688 4.120 0.001 0.000 0.251 751 V C 3.269 179.316 176.094 -0.079 0.000 1.055 751 V CA 3.391 65.650 62.300 -0.068 0.000 1.105 751 V CB -1.800 29.983 31.823 -0.066 0.000 0.785 751 V HN 1.153 nan 8.190 nan 0.000 0.479 752 A N 0.666 123.445 122.820 -0.069 0.000 1.863 752 A HA -0.231 4.090 4.320 0.001 0.000 0.218 752 A C 2.492 180.020 177.584 -0.094 0.000 1.233 752 A CA 4.062 56.055 52.037 -0.072 0.000 0.655 752 A CB -1.456 17.512 19.000 -0.054 0.000 0.839 752 A HN 1.223 nan 8.150 nan 0.000 0.454 753 A N -0.830 121.940 122.820 -0.084 0.000 1.958 753 A HA -0.134 4.186 4.320 0.001 0.000 0.221 753 A C 2.265 179.781 177.584 -0.113 0.000 1.178 753 A CA 2.234 54.215 52.037 -0.092 0.000 0.642 753 A CB -1.040 17.913 19.000 -0.078 0.000 0.816 753 A HN 0.579 nan 8.150 nan 0.000 0.453 754 S N -0.625 115.011 115.700 -0.106 0.000 2.584 754 S HA -0.001 4.469 4.470 0.001 0.000 0.240 754 S C 1.338 175.824 174.600 -0.190 0.000 0.975 754 S CA 1.209 59.342 58.200 -0.112 0.000 0.949 754 S CB -0.439 62.715 63.200 -0.077 0.000 0.761 754 S HN 0.617 nan 8.310 nan 0.000 0.536 755 I N 0.211 120.640 120.570 -0.235 0.000 3.526 755 I HA 0.179 4.350 4.170 0.001 0.000 0.294 755 I C 0.266 176.216 176.117 -0.279 0.000 1.229 755 I CA 0.097 61.185 61.300 -0.352 0.000 1.408 755 I CB 0.034 37.794 38.000 -0.402 0.000 1.127 755 I HN 0.128 nan 8.210 nan 0.000 0.439 756 I N 4.899 125.335 120.570 -0.222 0.000 2.668 756 I HA 0.029 4.199 4.170 0.001 0.000 0.285 756 I C -2.001 173.987 176.117 -0.214 0.000 1.168 756 I CA -1.312 59.848 61.300 -0.233 0.000 1.424 756 I CB -0.184 37.704 38.000 -0.187 0.000 1.377 756 I HN -0.108 nan 8.210 nan 0.000 0.560 757 P HA 0.121 nan 4.420 nan 0.000 0.282 757 P C 0.078 177.351 177.300 -0.044 0.000 1.249 757 P CA -0.307 62.635 63.100 -0.263 0.000 0.806 757 P CB 0.559 32.094 31.700 -0.275 0.000 0.984 758 F N -0.570 119.426 119.950 0.076 0.000 3.054 758 F HA -0.206 4.321 4.527 0.001 0.000 0.264 758 F C -0.615 175.276 175.800 0.152 0.000 0.956 758 F CA -0.275 57.828 58.000 0.172 0.000 0.882 758 F CB -1.790 37.326 39.000 0.194 0.000 0.841 758 F HN 0.368 nan 8.300 nan 0.000 0.720 759 P HA -0.236 nan 4.420 nan 0.000 0.218 759 P C 0.718 178.031 177.300 0.021 0.000 1.147 759 P CA 2.188 65.315 63.100 0.045 0.000 0.827 759 P CB -0.185 31.469 31.700 -0.076 0.000 0.778 760 D N -1.402 118.974 120.400 -0.040 0.000 2.663 760 D HA -0.072 4.568 4.640 0.001 0.000 0.243 760 D C 0.479 176.602 176.300 -0.295 0.000 1.218 760 D CA 0.002 53.907 54.000 -0.157 0.000 0.846 760 D CB -0.868 39.788 40.800 -0.240 0.000 1.014 760 D HN 0.381 nan 8.370 nan 0.000 0.476 761 H N -0.396 118.715 119.070 0.069 0.000 3.334 761 H HA 0.200 4.757 4.556 0.001 0.000 0.256 761 H C -0.437 174.925 175.328 0.056 0.000 1.162 761 H CA -0.457 55.624 56.048 0.055 0.000 1.030 761 H CB 0.519 30.314 29.762 0.054 0.000 2.151 761 H HN 0.068 nan 8.280 nan 0.000 0.742 762 N N 1.199 119.980 118.700 0.135 0.000 2.240 762 N HA 0.081 4.821 4.740 0.001 0.000 0.302 762 N C -0.207 175.322 175.510 0.032 0.000 1.106 762 N CA -0.559 52.545 53.050 0.091 0.000 0.778 762 N CB 2.467 41.022 38.487 0.113 0.000 1.431 762 N HN 0.214 nan 8.380 nan 0.000 0.479 763 Q N 0.616 120.419 119.800 0.004 0.000 2.263 763 Q HA -0.024 4.316 4.340 0.001 0.000 0.289 763 Q C 1.052 177.031 176.000 -0.036 0.000 1.061 763 Q CA 0.389 56.178 55.803 -0.023 0.000 0.927 763 Q CB 0.543 29.253 28.738 -0.048 0.000 1.154 763 Q HN 0.675 nan 8.270 nan 0.000 0.378 764 S N 5.008 120.692 115.700 -0.026 0.000 2.408 764 S HA -0.176 4.294 4.470 0.001 0.000 0.241 764 S C -0.846 173.719 174.600 -0.059 0.000 1.080 764 S CA 2.013 60.196 58.200 -0.028 0.000 1.109 764 S CB -0.708 62.483 63.200 -0.015 0.000 0.966 764 S HN 0.827 nan 8.310 nan 0.000 0.449 765 P HA -0.059 nan 4.420 nan 0.000 0.216 765 P C 1.161 178.289 177.300 -0.287 0.000 1.153 765 P CA 0.897 63.894 63.100 -0.171 0.000 0.844 765 P CB -0.252 31.326 31.700 -0.202 0.000 0.787 766 R N -0.030 120.302 120.500 -0.281 0.000 2.244 766 R HA -0.116 4.224 4.340 0.001 0.000 0.252 766 R C 1.805 178.031 176.300 -0.124 0.000 1.177 766 R CA 0.856 56.800 56.100 -0.261 0.000 1.004 766 R CB -1.243 28.991 30.300 -0.111 0.000 0.873 766 R HN 0.362 nan 8.270 nan 0.000 0.469 767 N N -0.657 117.995 118.700 -0.079 0.000 2.251 767 N HA -0.048 4.692 4.740 0.001 0.000 0.181 767 N C 1.467 176.972 175.510 -0.009 0.000 1.019 767 N CA 1.342 54.369 53.050 -0.038 0.000 0.862 767 N CB -0.316 38.150 38.487 -0.035 0.000 0.992 767 N HN 0.143 nan 8.380 nan 0.000 0.429 768 T N 0.832 115.383 114.554 -0.005 0.000 2.778 768 T HA -0.121 4.229 4.350 0.001 0.000 0.269 768 T C 1.749 176.572 174.700 0.203 0.000 1.050 768 T CA 1.112 63.254 62.100 0.070 0.000 1.137 768 T CB -0.365 68.552 68.868 0.081 0.000 0.860 768 T HN 0.394 nan 8.240 nan 0.000 0.468 769 Y N 0.914 121.201 120.300 -0.021 0.000 2.153 769 Y HA -0.112 4.439 4.550 0.001 0.000 0.289 769 Y C 2.996 178.881 175.900 -0.026 0.000 1.119 769 Y CA 0.499 58.587 58.100 -0.020 0.000 1.116 769 Y CB -0.270 38.185 38.460 -0.008 0.000 1.004 769 Y HN 0.102 nan 8.280 nan 0.000 0.501 770 Q N 0.981 120.875 119.800 0.156 0.000 2.458 770 Q HA -0.145 4.195 4.340 0.001 0.000 0.215 770 Q C 1.062 177.070 176.000 0.013 0.000 0.989 770 Q CA 1.437 57.270 55.803 0.050 0.000 0.895 770 Q CB -0.352 28.375 28.738 -0.019 0.000 0.934 770 Q HN 0.136 nan 8.270 nan 0.000 0.475 771 S N -1.126 114.589 115.700 0.025 0.000 2.618 771 S HA 0.523 4.994 4.470 0.001 0.000 0.242 771 S C 0.495 175.095 174.600 -0.000 0.000 0.972 771 S CA 0.206 58.404 58.200 -0.003 0.000 1.004 771 S CB 0.642 63.837 63.200 -0.009 0.000 0.778 771 S HN 0.476 nan 8.310 nan 0.000 0.459 772 A N 0.023 122.847 122.820 0.007 0.000 2.574 772 A HA 0.400 4.720 4.320 0.001 0.000 0.170 772 A C 1.342 178.915 177.584 -0.018 0.000 1.617 772 A CA -0.138 51.891 52.037 -0.013 0.000 1.189 772 A CB -0.040 18.944 19.000 -0.026 0.000 1.496 772 A HN 0.401 nan 8.150 nan 0.000 0.505 773 M N -0.286 119.312 119.600 -0.003 0.000 2.447 773 M HA 0.100 4.580 4.480 0.001 0.000 0.266 773 M C 2.060 178.358 176.300 -0.004 0.000 1.120 773 M CA 1.219 56.514 55.300 -0.008 0.000 1.166 773 M CB -0.112 32.496 32.600 0.014 0.000 1.349 773 M HN 0.458 nan 8.290 nan 0.000 0.463 774 G N 0.992 109.795 108.800 0.007 0.000 2.564 774 G HA2 -0.180 3.780 3.960 0.001 0.000 0.216 774 G HA3 -0.180 3.780 3.960 0.001 0.000 0.216 774 G C 1.460 176.382 174.900 0.038 0.000 1.124 774 G CA 0.734 45.848 45.100 0.025 0.000 0.764 774 G HN 0.425 nan 8.290 nan 0.000 0.550 775 K N -0.746 119.666 120.400 0.020 0.000 2.358 775 K HA 0.161 4.481 4.320 0.001 0.000 0.197 775 K C 1.597 178.195 176.600 -0.004 0.000 1.025 775 K CA 0.043 56.364 56.287 0.056 0.000 1.104 775 K CB 0.535 33.062 32.500 0.045 0.000 0.855 775 K HN 0.249 nan 8.250 nan 0.000 0.531 776 Q N 0.101 119.853 119.800 -0.080 0.000 2.179 776 Q HA 0.252 4.592 4.340 0.001 0.000 0.213 776 Q C -0.228 175.670 176.000 -0.170 0.000 0.833 776 Q CA -0.365 55.315 55.803 -0.205 0.000 0.990 776 Q CB 1.374 30.012 28.738 -0.166 0.000 1.132 776 Q HN 0.158 nan 8.270 nan 0.000 0.493 777 A N 0.713 123.489 122.820 -0.072 0.000 2.239 777 A HA 0.707 5.027 4.320 0.001 0.000 0.303 777 A C -0.241 177.333 177.584 -0.017 0.000 1.114 777 A CA -0.317 51.703 52.037 -0.028 0.000 0.871 777 A CB 0.680 19.699 19.000 0.033 0.000 1.201 777 A HN 0.225 nan 8.150 nan 0.000 0.506 778 M N -0.420 119.192 119.600 0.021 0.000 2.465 778 M HA 0.570 5.050 4.480 0.001 0.000 0.316 778 M C 0.519 176.868 176.300 0.082 0.000 1.121 778 M CA -0.047 55.279 55.300 0.042 0.000 0.934 778 M CB 2.444 35.059 32.600 0.027 0.000 1.692 778 M HN 0.963 nan 8.290 nan 0.000 0.444 779 G N 1.133 109.988 108.800 0.091 0.000 3.454 779 G HA2 0.534 4.494 3.960 0.001 0.000 0.162 779 G HA3 0.534 4.494 3.960 0.001 0.000 0.162 779 G C -1.518 173.406 174.900 0.040 0.000 1.223 779 G CA -0.239 44.902 45.100 0.067 0.000 1.394 779 G HN 0.482 nan 8.290 nan 0.000 0.709 780 V N 2.183 122.109 119.914 0.020 0.000 2.555 780 V HA 0.288 4.409 4.120 0.001 0.000 0.283 780 V C 0.231 176.312 176.094 -0.022 0.000 1.020 780 V CA -0.485 61.774 62.300 -0.069 0.000 0.883 780 V CB 0.969 32.730 31.823 -0.104 0.000 1.030 780 V HN 0.767 nan 8.190 nan 0.000 0.448 781 F N 3.812 123.786 119.950 0.040 0.000 2.558 781 F HA 0.563 5.090 4.527 0.001 0.000 0.298 781 F C 0.260 176.147 175.800 0.146 0.000 1.119 781 F CA 0.463 58.520 58.000 0.094 0.000 1.451 781 F CB 0.034 39.059 39.000 0.042 0.000 1.091 781 F HN 0.263 nan 8.300 nan 0.000 0.563 782 L N -0.902 120.052 121.223 -0.450 0.000 3.064 782 L HA 0.210 4.550 4.340 0.001 0.000 0.282 782 L C 0.614 177.315 176.870 -0.281 0.000 1.045 782 L CA -0.038 54.663 54.840 -0.232 0.000 0.986 782 L CB 1.837 43.812 42.059 -0.139 0.000 1.571 782 L HN -0.008 nan 8.230 nan 0.000 0.377 783 T N -4.195 110.252 114.554 -0.179 0.000 3.010 783 T HA 0.033 4.383 4.350 0.001 0.000 0.257 783 T C 0.717 175.227 174.700 -0.318 0.000 1.020 783 T CA 0.179 62.161 62.100 -0.196 0.000 0.938 783 T CB -0.222 68.577 68.868 -0.115 0.000 1.049 783 T HN 0.607 nan 8.240 nan 0.000 0.522 784 N N 1.406 119.946 118.700 -0.266 0.000 2.322 784 N HA -0.002 4.738 4.740 0.001 0.000 0.216 784 N C 1.225 176.608 175.510 -0.212 0.000 1.144 784 N CA -0.351 52.549 53.050 -0.250 0.000 0.830 784 N CB -0.645 37.743 38.487 -0.164 0.000 1.034 784 N HN 0.673 nan 8.380 nan 0.000 0.484 785 Y N 0.288 120.420 120.300 -0.280 0.000 2.352 785 Y HA 0.088 4.639 4.550 0.001 0.000 0.292 785 Y C 1.614 177.385 175.900 -0.216 0.000 1.136 785 Y CA 0.697 58.628 58.100 -0.281 0.000 1.227 785 Y CB -1.063 37.091 38.460 -0.510 0.000 0.991 785 Y HN 0.013 nan 8.280 nan 0.000 0.545 786 N N 0.369 118.723 118.700 -0.577 0.000 2.609 786 N HA -0.066 4.674 4.740 0.001 0.000 0.190 786 N C 0.106 175.566 175.510 -0.084 0.000 1.157 786 N CA 1.025 53.911 53.050 -0.273 0.000 0.918 786 N CB -0.023 38.241 38.487 -0.373 0.000 0.978 786 N HN 0.311 nan 8.380 nan 0.000 0.448 787 V N -0.229 119.639 119.914 -0.077 0.000 2.991 787 V HA 0.317 4.438 4.120 0.001 0.000 0.355 787 V C -0.084 176.028 176.094 0.030 0.000 1.384 787 V CA -0.322 61.966 62.300 -0.020 0.000 1.171 787 V CB -0.077 31.717 31.823 -0.048 0.000 1.190 787 V HN 0.089 nan 8.190 nan 0.000 0.540 788 R N 0.934 121.477 120.500 0.071 0.000 2.480 788 R HA 0.574 4.914 4.340 0.001 0.000 0.306 788 R C -0.430 175.938 176.300 0.113 0.000 0.958 788 R CA -0.642 55.525 56.100 0.111 0.000 0.861 788 R CB 1.852 32.269 30.300 0.194 0.000 1.171 788 R HN 0.086 nan 8.270 nan 0.000 0.445 789 M N 3.172 122.828 119.600 0.093 0.000 3.242 789 M HA 0.108 4.588 4.480 0.001 0.000 0.250 789 M C -0.728 175.607 176.300 0.059 0.000 1.239 789 M CA -0.618 54.729 55.300 0.078 0.000 1.205 789 M CB -0.782 31.857 32.600 0.065 0.000 1.189 789 M HN 0.466 nan 8.290 nan 0.000 0.531 790 D N 0.337 120.772 120.400 0.058 0.000 2.256 790 D HA 0.211 4.852 4.640 0.001 0.000 0.250 790 D C 0.215 176.515 176.300 -0.001 0.000 1.093 790 D CA -0.374 53.634 54.000 0.013 0.000 0.882 790 D CB 0.480 41.260 40.800 -0.034 0.000 1.185 790 D HN 0.212 nan 8.370 nan 0.000 0.437 791 T N 0.230 114.769 114.554 -0.025 0.000 2.792 791 T HA 0.233 4.583 4.350 0.001 0.000 0.286 791 T C 0.870 175.563 174.700 -0.010 0.000 0.970 791 T CA -0.732 61.338 62.100 -0.051 0.000 1.187 791 T CB -0.321 68.511 68.868 -0.060 0.000 0.915 791 T HN 0.625 nan 8.240 nan 0.000 0.529 792 M N 1.441 121.063 119.600 0.037 0.000 4.047 792 M HA -0.033 4.447 4.480 0.001 0.000 0.157 792 M C -0.621 175.769 176.300 0.151 0.000 1.532 792 M CA 0.840 56.253 55.300 0.189 0.000 1.097 792 M CB -1.026 31.662 32.600 0.147 0.000 1.346 792 M HN 1.516 nan 8.290 nan 0.000 0.190 793 A N 4.918 127.912 122.820 0.291 0.000 2.573 793 A HA 0.690 5.010 4.320 0.001 0.000 0.299 793 A C -1.489 176.264 177.584 0.282 0.000 1.060 793 A CA -0.894 51.242 52.037 0.164 0.000 0.736 793 A CB 1.334 20.392 19.000 0.097 0.000 1.280 793 A HN 0.756 nan 8.150 nan 0.000 0.401 794 N N 1.019 119.802 118.700 0.138 0.000 2.372 794 N HA 0.622 5.363 4.740 0.001 0.000 0.285 794 N C -1.587 173.979 175.510 0.094 0.000 1.008 794 N CA -0.292 52.824 53.050 0.110 0.000 0.880 794 N CB 1.976 40.437 38.487 -0.044 0.000 1.239 794 N HN 0.461 nan 8.380 nan 0.000 0.484 795 I N 2.131 122.744 120.570 0.071 0.000 2.465 795 I HA 0.216 4.387 4.170 0.001 0.000 0.291 795 I C -0.474 175.702 176.117 0.099 0.000 1.014 795 I CA -0.726 60.566 61.300 -0.014 0.000 1.093 795 I CB 1.715 39.548 38.000 -0.278 0.000 1.267 795 I HN 0.321 nan 8.210 nan 0.000 0.431 796 L N 8.299 129.583 121.223 0.102 0.000 2.363 796 L HA 0.224 4.565 4.340 0.001 0.000 0.286 796 L C 0.685 177.692 176.870 0.228 0.000 1.106 796 L CA 0.358 55.290 54.840 0.154 0.000 0.859 796 L CB -0.660 41.484 42.059 0.141 0.000 1.223 796 L HN 0.519 nan 8.230 nan 0.000 0.446 797 Y N 4.996 125.321 120.300 0.042 0.000 2.066 797 Y HA -0.359 4.191 4.550 0.001 0.000 0.235 797 Y C 0.645 176.719 175.900 0.291 0.000 1.262 797 Y CA 2.177 60.293 58.100 0.028 0.000 1.032 797 Y CB -0.829 37.463 38.460 -0.281 0.000 0.832 797 Y HN 0.528 nan 8.280 nan 0.000 0.520 798 Y N 0.737 121.149 120.300 0.187 0.000 2.842 798 Y HA 0.309 4.860 4.550 0.001 0.000 0.334 798 Y C -2.214 173.697 175.900 0.019 0.000 1.019 798 Y CA -2.870 55.271 58.100 0.069 0.000 1.258 798 Y CB 0.715 39.202 38.460 0.045 0.000 1.106 798 Y HN -0.030 nan 8.280 nan 0.000 0.545 799 P HA 0.162 nan 4.420 nan 0.000 0.274 799 P C -0.983 176.340 177.300 0.039 0.000 1.231 799 P CA -0.228 62.918 63.100 0.077 0.000 0.790 799 P CB 0.900 32.614 31.700 0.022 0.000 0.951 800 Q N 0.618 120.447 119.800 0.048 0.000 2.305 800 Q HA 0.240 4.580 4.340 0.001 0.000 0.271 800 Q C -0.556 175.402 176.000 -0.070 0.000 1.046 800 Q CA -1.058 54.746 55.803 0.002 0.000 0.798 800 Q CB 2.471 31.233 28.738 0.040 0.000 1.286 800 Q HN 0.392 nan 8.270 nan 0.000 0.435 801 K N 2.180 122.487 120.400 -0.154 0.000 2.379 801 K HA 0.284 4.605 4.320 0.001 0.000 0.284 801 K C -2.287 174.116 176.600 -0.329 0.000 1.044 801 K CA -1.335 54.808 56.287 -0.239 0.000 0.974 801 K CB 0.197 32.591 32.500 -0.177 0.000 0.962 801 K HN 0.183 nan 8.250 nan 0.000 0.474 802 P HA -0.126 nan 4.420 nan 0.000 0.264 802 P C 0.597 177.696 177.300 -0.335 0.000 1.179 802 P CA 0.104 62.744 63.100 -0.767 0.000 0.763 802 P CB 0.722 31.869 31.700 -0.922 0.000 0.806 803 L N 2.145 123.221 121.223 -0.245 0.000 1.961 803 L HA -0.043 4.297 4.340 0.001 0.000 0.210 803 L C 1.760 178.548 176.870 -0.135 0.000 1.072 803 L CA 1.752 56.508 54.840 -0.141 0.000 0.749 803 L CB -1.215 40.790 42.059 -0.090 0.000 0.889 803 L HN 0.505 nan 8.230 nan 0.000 0.432 804 G N -0.185 108.532 108.800 -0.139 0.000 2.378 804 G HA2 0.396 4.356 3.960 0.001 0.000 0.255 804 G HA3 0.396 4.356 3.960 0.001 0.000 0.255 804 G C -0.195 174.585 174.900 -0.200 0.000 1.270 804 G CA 0.160 45.164 45.100 -0.159 0.000 0.876 804 G HN 0.308 nan 8.290 nan 0.000 0.521 805 T N -1.384 113.048 114.554 -0.203 0.000 2.716 805 T HA 0.788 5.139 4.350 0.001 0.000 0.286 805 T C -0.468 174.102 174.700 -0.217 0.000 1.052 805 T CA -0.795 61.185 62.100 -0.199 0.000 1.024 805 T CB 2.220 71.001 68.868 -0.147 0.000 1.349 805 T HN 0.395 nan 8.240 nan 0.000 0.525 806 T N 0.965 115.399 114.554 -0.200 0.000 2.921 806 T HA 0.396 4.746 4.350 0.001 0.000 0.297 806 T C 1.052 175.632 174.700 -0.201 0.000 1.013 806 T CA -0.909 61.082 62.100 -0.181 0.000 0.990 806 T CB 1.864 70.630 68.868 -0.169 0.000 1.023 806 T HN 0.557 nan 8.240 nan 0.000 0.447 807 R N 1.733 122.060 120.500 -0.289 0.000 2.170 807 R HA -0.113 4.227 4.340 0.001 0.000 0.242 807 R C 2.165 178.274 176.300 -0.319 0.000 1.145 807 R CA 1.272 57.049 56.100 -0.538 0.000 0.984 807 R CB -0.881 28.637 30.300 -1.304 0.000 0.869 807 R HN 0.703 nan 8.270 nan 0.000 0.455 808 A N 0.764 123.493 122.820 -0.152 0.000 2.067 808 A HA -0.071 4.249 4.320 0.001 0.000 0.219 808 A C 2.196 179.826 177.584 0.076 0.000 1.158 808 A CA 0.922 52.985 52.037 0.044 0.000 0.661 808 A CB -0.337 18.686 19.000 0.039 0.000 0.801 808 A HN 0.191 nan 8.150 nan 0.000 0.452 809 M N -1.141 118.431 119.600 -0.048 0.000 2.175 809 M HA -0.149 4.332 4.480 0.001 0.000 0.264 809 M C 2.084 178.365 176.300 -0.032 0.000 1.063 809 M CA 1.678 56.943 55.300 -0.059 0.000 1.119 809 M CB -0.347 32.191 32.600 -0.103 0.000 1.377 809 M HN 0.613 nan 8.290 nan 0.000 0.415 810 E N 0.303 120.420 120.200 -0.139 0.000 2.208 810 E HA -0.248 4.103 4.350 0.001 0.000 0.202 810 E C 1.201 177.500 176.600 -0.502 0.000 1.014 810 E CA 1.763 57.934 56.400 -0.381 0.000 0.819 810 E CB 0.015 29.322 29.700 -0.655 0.000 0.735 810 E HN 0.630 nan 8.360 nan 0.000 0.469 811 Y N -0.930 119.303 120.300 -0.111 0.000 2.478 811 Y HA 0.181 4.731 4.550 0.001 0.000 0.261 811 Y C 1.627 177.409 175.900 -0.198 0.000 1.127 811 Y CA 0.108 58.081 58.100 -0.211 0.000 1.288 811 Y CB 0.232 38.365 38.460 -0.545 0.000 1.084 811 Y HN -0.027 nan 8.280 nan 0.000 0.530 812 L N 0.412 121.649 121.223 0.023 0.000 2.611 812 L HA 0.097 4.438 4.340 0.001 0.000 0.229 812 L C 0.117 177.116 176.870 0.216 0.000 1.137 812 L CA 0.007 54.897 54.840 0.084 0.000 0.901 812 L CB -0.130 41.952 42.059 0.038 0.000 1.098 812 L HN -0.018 nan 8.230 nan 0.000 0.456 813 K N -0.247 120.211 120.400 0.096 0.000 3.490 813 K HA -0.265 4.055 4.320 0.001 0.000 0.273 813 K C 0.485 177.056 176.600 -0.050 0.000 0.916 813 K CA 0.585 56.854 56.287 -0.030 0.000 0.718 813 K CB -1.996 30.416 32.500 -0.146 0.000 1.477 813 K HN 0.188 nan 8.250 nan 0.000 0.452 814 F N 0.917 120.787 119.950 -0.134 0.000 2.188 814 F HA 0.037 4.564 4.527 0.001 0.000 0.289 814 F C 2.092 177.796 175.800 -0.161 0.000 1.082 814 F CA 0.780 58.710 58.000 -0.118 0.000 1.282 814 F CB 0.060 39.013 39.000 -0.078 0.000 1.060 814 F HN 0.170 nan 8.300 nan 0.000 0.493 815 R N 0.094 120.550 120.500 -0.074 0.000 2.371 815 R HA -0.166 4.174 4.340 0.001 0.000 0.226 815 R C 1.333 177.498 176.300 -0.225 0.000 1.132 815 R CA 1.241 57.245 56.100 -0.158 0.000 1.027 815 R CB -0.319 29.927 30.300 -0.091 0.000 0.848 815 R HN 0.323 nan 8.270 nan 0.000 0.479 816 E N -0.125 119.889 120.200 -0.310 0.000 2.201 816 E HA 0.144 4.494 4.350 0.001 0.000 0.193 816 E C 0.080 176.380 176.600 -0.501 0.000 0.957 816 E CA 0.636 56.799 56.400 -0.394 0.000 0.858 816 E CB 0.611 29.948 29.700 -0.604 0.000 0.816 816 E HN 0.116 nan 8.360 nan 0.000 0.475 817 L N 1.981 122.857 121.223 -0.579 0.000 2.502 817 L HA 0.377 4.718 4.340 0.001 0.000 0.249 817 L C -2.340 174.231 176.870 -0.497 0.000 1.446 817 L CA -1.629 52.914 54.840 -0.495 0.000 0.887 817 L CB 1.142 42.841 42.059 -0.600 0.000 1.126 817 L HN -0.025 nan 8.230 nan 0.000 0.509 818 P HA 0.130 nan 4.420 nan 0.000 0.291 818 P C -0.033 177.089 177.300 -0.297 0.000 1.287 818 P CA -0.214 62.437 63.100 -0.749 0.000 0.767 818 P CB 1.166 32.607 31.700 -0.431 0.000 1.290 819 A N -1.433 121.364 122.820 -0.037 0.000 3.214 819 A HA 0.612 4.932 4.320 0.001 0.000 0.203 819 A C 0.043 177.664 177.584 0.063 0.000 0.960 819 A CA 0.350 52.441 52.037 0.090 0.000 1.113 819 A CB -0.263 18.835 19.000 0.163 0.000 1.280 819 A HN 0.834 nan 8.150 nan 0.000 0.573 820 G N -0.491 108.346 108.800 0.062 0.000 2.325 820 G HA2 0.510 4.471 3.960 0.001 0.000 0.295 820 G HA3 0.510 4.471 3.960 0.001 0.000 0.295 820 G C -1.861 173.054 174.900 0.025 0.000 1.274 820 G CA -0.483 44.501 45.100 -0.193 0.000 0.857 820 G HN 0.384 nan 8.290 nan 0.000 0.499 821 Q N -0.156 119.596 119.800 -0.080 0.000 2.345 821 Q HA 0.343 4.683 4.340 0.001 0.000 0.275 821 Q C -1.197 174.965 176.000 0.270 0.000 1.063 821 Q CA -1.009 54.843 55.803 0.082 0.000 0.819 821 Q CB 2.423 30.894 28.738 -0.444 0.000 1.356 821 Q HN 0.473 nan 8.270 nan 0.000 0.418 822 N N 1.296 120.160 118.700 0.274 0.000 2.402 822 N HA 0.308 5.049 4.740 0.001 0.000 0.252 822 N C -1.121 174.444 175.510 0.091 0.000 1.118 822 N CA 0.156 53.333 53.050 0.212 0.000 0.945 822 N CB 1.130 39.666 38.487 0.081 0.000 1.147 822 N HN 0.515 nan 8.380 nan 0.000 0.495 823 A N 2.924 125.822 122.820 0.130 0.000 2.337 823 A HA 0.473 4.793 4.320 0.001 0.000 0.329 823 A C 0.281 177.915 177.584 0.083 0.000 1.146 823 A CA -0.738 51.340 52.037 0.068 0.000 0.800 823 A CB 0.814 19.858 19.000 0.073 0.000 1.220 823 A HN 0.499 nan 8.150 nan 0.000 0.472 824 I N 3.547 124.153 120.570 0.060 0.000 2.453 824 I HA 0.065 4.236 4.170 0.001 0.000 0.300 824 I C 0.463 176.591 176.117 0.019 0.000 1.159 824 I CA 0.293 61.657 61.300 0.107 0.000 1.379 824 I CB -0.977 37.132 38.000 0.181 0.000 1.460 824 I HN 0.234 nan 8.210 nan 0.000 0.601 825 V N 5.372 125.284 119.914 -0.002 0.000 3.185 825 V HA 0.545 4.665 4.120 0.001 0.000 0.305 825 V C 0.696 176.569 176.094 -0.368 0.000 1.090 825 V CA -0.370 61.875 62.300 -0.092 0.000 1.107 825 V CB 1.598 33.469 31.823 0.080 0.000 1.061 825 V HN 0.871 nan 8.190 nan 0.000 0.480 826 A N 4.521 127.129 122.820 -0.354 0.000 2.611 826 A HA 0.580 4.900 4.320 0.001 0.000 0.282 826 A C -0.801 176.643 177.584 -0.233 0.000 1.114 826 A CA -0.466 51.263 52.037 -0.514 0.000 0.800 826 A CB 0.478 19.000 19.000 -0.796 0.000 1.325 826 A HN 0.666 nan 8.150 nan 0.000 0.411 827 I N 2.686 123.196 120.570 -0.100 0.000 2.311 827 I HA 0.452 4.622 4.170 0.001 0.000 0.297 827 I C 0.637 176.707 176.117 -0.079 0.000 1.131 827 I CA 0.598 61.885 61.300 -0.023 0.000 1.289 827 I CB 0.388 38.442 38.000 0.091 0.000 1.446 827 I HN 0.769 nan 8.210 nan 0.000 0.524 828 A N 5.222 127.987 122.820 -0.092 0.000 2.564 828 A HA 0.635 4.955 4.320 0.001 0.000 0.291 828 A C -1.377 176.191 177.584 -0.028 0.000 1.102 828 A CA -0.511 51.474 52.037 -0.087 0.000 0.660 828 A CB 1.178 20.095 19.000 -0.138 0.000 1.283 828 A HN 0.523 nan 8.150 nan 0.000 0.430 829 C N 0.532 119.839 119.300 0.012 0.000 2.330 829 C HA 0.786 5.246 4.460 0.001 0.000 0.344 829 C C 0.130 175.241 174.990 0.201 0.000 1.273 829 C CA 0.014 59.087 59.018 0.093 0.000 1.879 829 C CB -0.070 27.720 27.740 0.082 0.000 2.376 829 C HN 0.788 nan 8.230 nan 0.000 0.534 830 Y N 1.307 121.610 120.300 0.005 0.000 2.741 830 Y HA 0.204 4.755 4.550 0.001 0.000 0.208 830 Y C 2.257 178.176 175.900 0.030 0.000 2.219 830 Y CA 0.452 58.532 58.100 -0.034 0.000 1.141 830 Y CB -0.507 37.895 38.460 -0.096 0.000 1.443 830 Y HN 0.577 nan 8.280 nan 0.000 0.425 831 S N 0.072 115.715 115.700 -0.096 0.000 2.380 831 S HA -0.011 4.459 4.470 0.001 0.000 0.229 831 S C 1.530 176.273 174.600 0.238 0.000 1.043 831 S CA 1.807 59.998 58.200 -0.015 0.000 1.038 831 S CB -0.853 62.367 63.200 0.033 0.000 0.872 831 S HN 1.548 nan 8.310 nan 0.000 0.456 832 G N -1.092 107.915 108.800 0.346 0.000 2.198 832 G HA2 -0.144 3.816 3.960 0.001 0.000 0.156 832 G HA3 -0.144 3.816 3.960 0.001 0.000 0.156 832 G C 0.310 175.394 174.900 0.307 0.000 1.012 832 G CA 0.132 45.404 45.100 0.287 0.000 0.692 832 G HN 0.420 nan 8.290 nan 0.000 0.492 833 Y N 1.685 122.041 120.300 0.095 0.000 2.490 833 Y HA 0.116 4.666 4.550 0.001 0.000 0.285 833 Y C 2.300 178.238 175.900 0.062 0.000 1.117 833 Y CA 0.682 58.823 58.100 0.068 0.000 1.262 833 Y CB -0.058 38.442 38.460 0.067 0.000 1.043 833 Y HN 0.488 nan 8.280 nan 0.000 0.553 834 N N 0.532 119.374 118.700 0.237 0.000 2.515 834 N HA -0.084 4.656 4.740 0.001 0.000 0.191 834 N C 0.446 176.018 175.510 0.104 0.000 1.182 834 N CA 0.076 53.215 53.050 0.148 0.000 0.879 834 N CB -0.207 38.365 38.487 0.141 0.000 0.984 834 N HN 0.385 nan 8.380 nan 0.000 0.453 835 Q N 0.883 120.736 119.800 0.089 0.000 2.584 835 Q HA -0.015 4.325 4.340 0.001 0.000 0.235 835 Q C -0.197 175.819 176.000 0.027 0.000 1.079 835 Q CA -0.034 55.804 55.803 0.058 0.000 0.977 835 Q CB 0.387 29.138 28.738 0.021 0.000 1.293 835 Q HN 0.212 nan 8.270 nan 0.000 0.553 836 E N 2.281 122.489 120.200 0.013 0.000 2.038 836 E HA -0.373 3.978 4.350 0.001 0.000 0.181 836 E C -1.068 175.537 176.600 0.008 0.000 1.383 836 E CA 1.124 57.522 56.400 -0.003 0.000 0.677 836 E CB -1.259 28.422 29.700 -0.031 0.000 1.051 836 E HN 0.697 nan 8.360 nan 0.000 0.317 837 D N -0.500 119.918 120.400 0.030 0.000 2.800 837 D HA -0.132 4.509 4.640 0.001 0.000 0.248 837 D C -0.805 175.512 176.300 0.029 0.000 1.091 837 D CA 1.406 55.425 54.000 0.032 0.000 0.746 837 D CB -1.141 39.674 40.800 0.024 0.000 1.062 837 D HN 0.451 nan 8.370 nan 0.000 0.431 838 S N -0.956 114.768 115.700 0.039 0.000 2.543 838 S HA 0.686 5.156 4.470 0.001 0.000 0.274 838 S C -0.150 174.482 174.600 0.055 0.000 1.149 838 S CA -1.168 57.054 58.200 0.037 0.000 0.866 838 S CB 2.738 65.949 63.200 0.019 0.000 1.111 838 S HN 0.241 nan 8.310 nan 0.000 0.457 839 M N 1.183 120.814 119.600 0.052 0.000 2.706 839 M HA 0.661 5.141 4.480 0.001 0.000 0.304 839 M C -1.135 175.212 176.300 0.078 0.000 1.217 839 M CA -0.852 54.477 55.300 0.048 0.000 0.922 839 M CB 0.632 33.221 32.600 -0.019 0.000 1.637 839 M HN 0.698 nan 8.290 nan 0.000 0.492 840 I N 1.938 122.564 120.570 0.092 0.000 2.339 840 I HA 0.401 4.571 4.170 0.001 0.000 0.290 840 I C -0.598 175.570 176.117 0.086 0.000 0.994 840 I CA -0.324 61.064 61.300 0.146 0.000 1.191 840 I CB 1.645 39.798 38.000 0.256 0.000 1.343 840 I HN 0.699 nan 8.210 nan 0.000 0.458 841 M N 6.558 126.199 119.600 0.068 0.000 2.227 841 M HA 0.328 4.809 4.480 0.001 0.000 0.335 841 M C -0.309 176.032 176.300 0.067 0.000 1.053 841 M CA -0.650 54.670 55.300 0.033 0.000 0.973 841 M CB 1.289 33.894 32.600 0.007 0.000 1.623 841 M HN 0.499 nan 8.290 nan 0.000 0.434 842 N N 3.292 122.029 118.700 0.062 0.000 2.359 842 N HA -0.127 4.614 4.740 0.001 0.000 0.261 842 N C 0.407 175.960 175.510 0.070 0.000 1.267 842 N CA 0.609 53.709 53.050 0.084 0.000 0.864 842 N CB 0.950 39.471 38.487 0.057 0.000 1.063 842 N HN 0.737 nan 8.380 nan 0.000 0.474 843 Q N 2.966 122.814 119.800 0.080 0.000 2.033 843 Q HA -0.027 4.313 4.340 0.001 0.000 0.196 843 Q C 1.381 177.411 176.000 0.051 0.000 0.970 843 Q CA 1.668 57.503 55.803 0.055 0.000 0.828 843 Q CB -0.404 28.362 28.738 0.047 0.000 0.895 843 Q HN 0.721 nan 8.270 nan 0.000 0.440 844 S N 0.816 116.553 115.700 0.061 0.000 2.434 844 S HA -0.310 4.160 4.470 0.001 0.000 0.240 844 S C 1.989 176.615 174.600 0.044 0.000 1.052 844 S CA 2.351 60.583 58.200 0.053 0.000 1.198 844 S CB -1.172 62.064 63.200 0.061 0.000 1.124 844 S HN 0.728 nan 8.310 nan 0.000 0.426 845 S N 2.238 117.964 115.700 0.043 0.000 2.381 845 S HA -0.183 4.287 4.470 0.001 0.000 0.230 845 S C 1.763 176.379 174.600 0.026 0.000 1.052 845 S CA 1.690 59.909 58.200 0.031 0.000 1.068 845 S CB -1.119 62.095 63.200 0.023 0.000 0.918 845 S HN 0.487 nan 8.310 nan 0.000 0.448 846 I N 2.408 122.999 120.570 0.035 0.000 2.300 846 I HA -0.235 3.935 4.170 0.001 0.000 0.252 846 I C 2.055 178.182 176.117 0.015 0.000 1.119 846 I CA 1.761 63.083 61.300 0.035 0.000 1.384 846 I CB -0.549 37.478 38.000 0.044 0.000 1.062 846 I HN 0.349 nan 8.210 nan 0.000 0.426 847 D N 0.612 121.025 120.400 0.022 0.000 2.110 847 D HA -0.074 4.566 4.640 0.001 0.000 0.202 847 D C 1.970 178.287 176.300 0.027 0.000 0.975 847 D CA 0.878 54.891 54.000 0.021 0.000 0.839 847 D CB -0.274 40.543 40.800 0.028 0.000 0.996 847 D HN 0.284 nan 8.370 nan 0.000 0.464 848 R N 0.245 120.767 120.500 0.037 0.000 2.395 848 R HA 0.058 4.398 4.340 0.001 0.000 0.203 848 R C 1.021 177.360 176.300 0.065 0.000 1.076 848 R CA 0.657 56.791 56.100 0.056 0.000 1.059 848 R CB -0.184 30.150 30.300 0.056 0.000 0.860 848 R HN 0.238 nan 8.270 nan 0.000 0.476 849 G N 0.583 109.393 108.800 0.015 0.000 2.148 849 G HA2 -0.225 3.735 3.960 0.001 0.000 0.203 849 G HA3 -0.225 3.735 3.960 0.001 0.000 0.203 849 G C -0.157 174.680 174.900 -0.105 0.000 0.993 849 G CA -0.454 44.610 45.100 -0.060 0.000 0.661 849 G HN 0.222 nan 8.290 nan 0.000 0.518 850 L N 0.506 121.699 121.223 -0.050 0.000 2.490 850 L HA 0.644 4.985 4.340 0.001 0.000 0.274 850 L C 1.417 178.278 176.870 -0.015 0.000 1.201 850 L CA 0.587 55.374 54.840 -0.089 0.000 0.869 850 L CB -0.718 41.306 42.059 -0.058 0.000 1.123 850 L HN 0.596 nan 8.230 nan 0.000 0.484 851 F N 1.887 121.782 119.950 -0.091 0.000 3.030 851 F HA -0.341 4.187 4.527 0.001 0.000 0.302 851 F C 1.270 176.992 175.800 -0.130 0.000 0.749 851 F CA 0.801 58.749 58.000 -0.086 0.000 1.040 851 F CB -0.765 38.181 39.000 -0.091 0.000 1.383 851 F HN 0.609 nan 8.300 nan 0.000 0.368 852 R N 0.937 121.360 120.500 -0.128 0.000 2.679 852 R HA 0.335 4.675 4.340 0.001 0.000 0.268 852 R C 0.577 176.610 176.300 -0.445 0.000 1.044 852 R CA 0.857 56.701 56.100 -0.427 0.000 1.105 852 R CB 0.852 30.596 30.300 -0.926 0.000 0.989 852 R HN 0.252 nan 8.270 nan 0.000 0.447 853 S N 2.036 117.503 115.700 -0.388 0.000 2.627 853 S HA 0.536 5.006 4.470 0.001 0.000 0.283 853 S C -0.526 174.081 174.600 0.012 0.000 1.127 853 S CA -1.058 57.078 58.200 -0.108 0.000 0.863 853 S CB 1.460 64.657 63.200 -0.005 0.000 1.121 853 S HN 0.379 nan 8.310 nan 0.000 0.479 854 L N 1.607 122.973 121.223 0.238 0.000 2.352 854 L HA 0.698 5.038 4.340 0.001 0.000 0.269 854 L C -1.184 175.920 176.870 0.390 0.000 1.034 854 L CA -0.829 54.225 54.840 0.356 0.000 0.806 854 L CB 1.545 43.928 42.059 0.539 0.000 1.244 854 L HN 0.783 nan 8.230 nan 0.000 0.447 855 F N 2.290 122.312 119.950 0.120 0.000 2.653 855 F HA 0.491 5.019 4.527 0.001 0.000 0.327 855 F C -1.511 174.279 175.800 -0.015 0.000 1.195 855 F CA -1.420 56.642 58.000 0.103 0.000 0.993 855 F CB 1.079 40.076 39.000 -0.006 0.000 1.259 855 F HN 0.034 nan 8.300 nan 0.000 0.478 856 F N 5.599 125.663 119.950 0.190 0.000 2.469 856 F HA 0.706 5.233 4.527 0.001 0.000 0.332 856 F C 0.132 175.785 175.800 -0.244 0.000 1.103 856 F CA -0.694 57.244 58.000 -0.105 0.000 0.979 856 F CB 1.838 40.863 39.000 0.042 0.000 1.137 856 F HN 0.504 nan 8.300 nan 0.000 0.463 857 R N 0.856 121.197 120.500 -0.266 0.000 2.808 857 R HA 0.824 5.164 4.340 0.001 0.000 0.272 857 R C -1.695 174.439 176.300 -0.277 0.000 0.995 857 R CA -0.706 55.208 56.100 -0.311 0.000 0.917 857 R CB 2.119 32.093 30.300 -0.543 0.000 1.217 857 R HN 0.769 nan 8.270 nan 0.000 0.471 858 S N 1.449 116.936 115.700 -0.354 0.000 2.649 858 S HA 0.406 4.877 4.470 0.001 0.000 0.274 858 S C -1.230 173.155 174.600 -0.359 0.000 1.176 858 S CA -0.896 57.141 58.200 -0.271 0.000 0.988 858 S CB 0.565 63.722 63.200 -0.072 0.000 1.071 858 S HN 0.458 nan 8.310 nan 0.000 0.478 859 Y N 2.295 122.556 120.300 -0.064 0.000 2.408 859 Y HA 0.769 5.320 4.550 0.001 0.000 0.324 859 Y C 0.610 176.456 175.900 -0.089 0.000 1.302 859 Y CA -1.173 56.888 58.100 -0.065 0.000 1.384 859 Y CB 0.790 39.206 38.460 -0.073 0.000 1.367 859 Y HN 0.766 nan 8.280 nan 0.000 0.525 860 M N 1.059 120.708 119.600 0.082 0.000 2.578 860 M HA 0.384 4.864 4.480 0.001 0.000 0.276 860 M C -2.606 173.685 176.300 -0.014 0.000 1.245 860 M CA -0.400 54.867 55.300 -0.054 0.000 0.871 860 M CB 2.893 35.440 32.600 -0.088 0.000 1.722 860 M HN 0.857 nan 8.290 nan 0.000 0.473 861 D N 1.740 122.102 120.400 -0.063 0.000 2.745 861 D HA 0.356 4.996 4.640 0.001 0.000 0.221 861 D C -1.894 174.515 176.300 0.181 0.000 1.237 861 D CA -0.039 54.017 54.000 0.093 0.000 0.781 861 D CB 2.283 43.186 40.800 0.171 0.000 1.575 861 D HN 0.787 nan 8.370 nan 0.000 0.482 862 Q N 0.465 120.395 119.800 0.216 0.000 2.486 862 Q HA 0.493 4.833 4.340 0.001 0.000 0.274 862 Q C -0.628 175.389 176.000 0.029 0.000 1.076 862 Q CA -0.823 55.120 55.803 0.232 0.000 0.872 862 Q CB 2.090 30.989 28.738 0.268 0.000 1.383 862 Q HN 0.218 nan 8.270 nan 0.000 0.478 863 E N 1.276 121.443 120.200 -0.054 0.000 2.267 863 E HA 0.161 4.511 4.350 0.001 0.000 0.241 863 E C -1.150 175.405 176.600 -0.076 0.000 0.950 863 E CA -0.247 56.046 56.400 -0.178 0.000 0.776 863 E CB 0.713 30.247 29.700 -0.277 0.000 1.207 863 E HN 0.213 nan 8.360 nan 0.000 0.436 864 K N 1.975 122.340 120.400 -0.058 0.000 2.561 864 K HA -0.006 4.314 4.320 0.001 0.000 0.280 864 K C 0.274 176.791 176.600 -0.139 0.000 0.975 864 K CA 0.572 56.788 56.287 -0.117 0.000 1.024 864 K CB 0.524 32.943 32.500 -0.135 0.000 0.883 864 K HN 0.044 nan 8.250 nan 0.000 0.496 865 K N 1.880 122.121 120.400 -0.264 0.000 2.352 865 K HA 0.444 4.764 4.320 0.001 0.000 0.240 865 K C -1.384 174.974 176.600 -0.403 0.000 1.017 865 K CA -0.886 55.312 56.287 -0.148 0.000 0.851 865 K CB 1.359 33.832 32.500 -0.044 0.000 1.261 865 K HN 0.400 nan 8.250 nan 0.000 0.451 866 Y N -1.113 119.188 120.300 0.002 0.000 2.332 866 Y HA 0.202 4.753 4.550 0.001 0.000 0.325 866 Y C 1.233 177.137 175.900 0.007 0.000 1.054 866 Y CA -0.791 57.313 58.100 0.006 0.000 1.119 866 Y CB 1.563 40.026 38.460 0.005 0.000 1.168 866 Y HN 0.812 nan 8.280 nan 0.000 0.439 867 G N 2.200 111.076 108.800 0.127 0.000 2.728 867 G HA2 -0.356 3.605 3.960 0.001 0.000 0.224 867 G HA3 -0.356 3.605 3.960 0.001 0.000 0.224 867 G C 1.199 176.147 174.900 0.081 0.000 1.123 867 G CA 1.104 46.254 45.100 0.084 0.000 0.755 867 G HN 0.668 nan 8.290 nan 0.000 0.622 868 M N 1.541 121.196 119.600 0.093 0.000 2.726 868 M HA 0.237 4.718 4.480 0.001 0.000 0.211 868 M C 0.267 176.595 176.300 0.047 0.000 1.190 868 M CA -0.049 55.285 55.300 0.057 0.000 1.000 868 M CB -0.418 32.207 32.600 0.042 0.000 1.790 868 M HN 0.119 nan 8.290 nan 0.000 0.467 869 S N 1.250 116.991 115.700 0.067 0.000 3.442 869 S HA -0.145 4.325 4.470 0.001 0.000 0.444 869 S C -0.534 174.086 174.600 0.032 0.000 0.738 869 S CA 0.514 58.748 58.200 0.056 0.000 1.342 869 S CB -0.939 62.281 63.200 0.032 0.000 1.270 869 S HN 0.636 nan 8.310 nan 0.000 0.695 870 I N 2.605 123.212 120.570 0.062 0.000 2.702 870 I HA 0.263 4.433 4.170 0.001 0.000 0.287 870 I C -0.327 175.854 176.117 0.108 0.000 1.342 870 I CA -0.396 60.896 61.300 -0.012 0.000 1.063 870 I CB 2.502 40.355 38.000 -0.245 0.000 1.331 870 I HN 0.434 nan 8.210 nan 0.000 0.427 871 T N 4.250 118.839 114.554 0.058 0.000 2.876 871 T HA 0.392 4.743 4.350 0.001 0.000 0.289 871 T C -0.357 174.364 174.700 0.035 0.000 1.014 871 T CA -0.743 61.404 62.100 0.078 0.000 0.986 871 T CB 2.203 71.091 68.868 0.033 0.000 1.021 871 T HN 0.428 nan 8.240 nan 0.000 0.458 872 E N 1.097 121.316 120.200 0.031 0.000 2.369 872 E HA 0.553 4.903 4.350 0.001 0.000 0.255 872 E C -0.392 176.143 176.600 -0.108 0.000 1.172 872 E CA -0.445 55.939 56.400 -0.026 0.000 0.932 872 E CB 0.707 30.380 29.700 -0.044 0.000 1.040 872 E HN 0.478 nan 8.360 nan 0.000 0.454 873 T N 0.738 115.221 114.554 -0.119 0.000 2.982 873 T HA 0.261 4.612 4.350 0.001 0.000 0.321 873 T C -0.969 173.715 174.700 -0.027 0.000 1.229 873 T CA -0.691 61.337 62.100 -0.121 0.000 1.044 873 T CB 0.495 69.350 68.868 -0.021 0.000 1.184 873 T HN 0.276 nan 8.240 nan 0.000 0.477 874 F N 3.395 123.367 119.950 0.037 0.000 2.462 874 F HA 0.352 4.879 4.527 0.001 0.000 0.354 874 F C 1.198 177.016 175.800 0.031 0.000 1.192 874 F CA -0.523 57.496 58.000 0.031 0.000 1.173 874 F CB 0.295 39.310 39.000 0.024 0.000 1.402 874 F HN 0.600 nan 8.300 nan 0.000 0.595 875 E N 1.776 122.113 120.200 0.229 0.000 2.433 875 E HA 0.382 4.733 4.350 0.001 0.000 0.264 875 E C -1.388 175.292 176.600 0.133 0.000 0.960 875 E CA -1.355 55.129 56.400 0.140 0.000 0.866 875 E CB 1.745 31.501 29.700 0.095 0.000 1.615 875 E HN 0.224 nan 8.360 nan 0.000 0.442 876 K N 1.817 122.276 120.400 0.099 0.000 2.484 876 K HA 0.330 4.650 4.320 0.001 0.000 0.226 876 K C -2.244 174.381 176.600 0.042 0.000 1.031 876 K CA -1.867 54.487 56.287 0.112 0.000 1.026 876 K CB 0.810 33.365 32.500 0.093 0.000 1.412 876 K HN 0.371 nan 8.250 nan 0.000 0.492 877 P HA 0.131 nan 4.420 nan 0.000 0.286 877 P C -1.500 175.685 177.300 -0.192 0.000 1.293 877 P CA -0.304 62.748 63.100 -0.080 0.000 0.770 877 P CB 0.634 32.293 31.700 -0.067 0.000 1.206 878 Q N -1.669 118.025 119.800 -0.176 0.000 2.887 878 Q HA 0.333 4.673 4.340 0.001 0.000 0.211 878 Q C -0.315 175.608 176.000 -0.127 0.000 0.879 878 Q CA -0.876 54.811 55.803 -0.194 0.000 1.210 878 Q CB 0.824 29.475 28.738 -0.146 0.000 1.663 878 Q HN 0.244 nan 8.270 nan 0.000 0.582 879 R N 0.458 120.879 120.500 -0.132 0.000 3.726 879 R HA -0.212 4.129 4.340 0.001 0.000 0.510 879 R C -0.329 175.930 176.300 -0.068 0.000 0.241 879 R CA 1.653 57.699 56.100 -0.089 0.000 1.592 879 R CB -2.212 28.046 30.300 -0.071 0.000 0.955 879 R HN 1.451 nan 8.270 nan 0.000 0.585 880 T N 1.228 115.752 114.554 -0.051 0.000 3.944 880 T HA -0.147 4.203 4.350 0.001 0.000 0.376 880 T C 0.520 175.199 174.700 -0.035 0.000 0.759 880 T CA 1.084 63.161 62.100 -0.039 0.000 2.034 880 T CB -0.970 67.874 68.868 -0.039 0.000 1.791 880 T HN 0.626 nan 8.240 nan 0.000 0.846 881 N N -1.157 117.524 118.700 -0.032 0.000 3.651 881 N HA -0.219 4.522 4.740 0.001 0.000 0.236 881 N C 1.417 176.910 175.510 -0.029 0.000 0.234 881 N CA 1.826 54.859 53.050 -0.027 0.000 3.447 881 N CB -1.753 36.719 38.487 -0.024 0.000 1.309 881 N HN 0.484 nan 8.380 nan 0.000 0.255 882 T N 2.482 117.018 114.554 -0.030 0.000 2.597 882 T HA -0.058 4.292 4.350 0.001 0.000 0.267 882 T C 1.655 176.335 174.700 -0.034 0.000 1.053 882 T CA 2.815 64.898 62.100 -0.029 0.000 1.165 882 T CB -0.174 68.677 68.868 -0.027 0.000 0.863 882 T HN 0.483 nan 8.240 nan 0.000 0.427 883 L N -2.684 118.511 121.223 -0.046 0.000 2.962 883 L HA -0.175 4.165 4.340 0.001 0.000 0.424 883 L C 0.494 177.328 176.870 -0.060 0.000 0.702 883 L CA 0.604 55.411 54.840 -0.056 0.000 3.054 883 L CB -1.214 40.817 42.059 -0.046 0.000 0.739 883 L HN 0.165 nan 8.230 nan 0.000 0.730 884 R N 1.989 122.464 120.500 -0.043 0.000 2.637 884 R HA 0.235 4.576 4.340 0.001 0.000 0.331 884 R C 0.240 176.523 176.300 -0.028 0.000 1.166 884 R CA 0.710 56.791 56.100 -0.033 0.000 0.993 884 R CB -0.004 30.287 30.300 -0.016 0.000 1.012 884 R HN 0.424 nan 8.270 nan 0.000 0.461 885 M N 1.038 120.614 119.600 -0.040 0.000 2.346 885 M HA 0.447 4.927 4.480 0.001 0.000 0.237 885 M C -0.164 176.162 176.300 0.043 0.000 1.096 885 M CA -0.694 54.605 55.300 -0.002 0.000 1.713 885 M CB 0.725 33.270 32.600 -0.093 0.000 1.330 885 M HN 0.014 nan 8.290 nan 0.000 0.869 886 K N 0.086 120.565 120.400 0.130 0.000 2.477 886 K HA 0.350 4.671 4.320 0.001 0.000 0.255 886 K C 0.425 177.081 176.600 0.093 0.000 0.952 886 K CA -0.595 55.759 56.287 0.111 0.000 0.826 886 K CB 1.324 33.912 32.500 0.146 0.000 1.331 886 K HN 0.524 nan 8.250 nan 0.000 0.437 887 H N 0.875 119.990 119.070 0.075 0.000 2.353 887 H HA -0.058 4.499 4.556 0.001 0.000 0.300 887 H C 0.980 176.346 175.328 0.063 0.000 1.090 887 H CA 1.602 57.683 56.048 0.055 0.000 1.327 887 H CB 0.176 29.952 29.762 0.023 0.000 1.383 887 H HN 0.789 nan 8.280 nan 0.000 0.508 888 G N 0.437 109.330 108.800 0.156 0.000 2.902 888 G HA2 -0.093 3.867 3.960 0.001 0.000 0.240 888 G HA3 -0.093 3.867 3.960 0.001 0.000 0.240 888 G C -0.244 174.709 174.900 0.089 0.000 1.244 888 G CA -0.007 45.125 45.100 0.053 0.000 0.862 888 G HN 0.220 nan 8.290 nan 0.000 0.603 889 T N 1.472 116.042 114.554 0.026 0.000 2.727 889 T HA 0.218 4.568 4.350 0.001 0.000 0.298 889 T C 0.661 175.379 174.700 0.030 0.000 0.942 889 T CA -0.121 62.019 62.100 0.066 0.000 0.997 889 T CB 0.660 69.544 68.868 0.027 0.000 0.917 889 T HN 0.413 nan 8.240 nan 0.000 0.487 890 Y N 2.071 122.360 120.300 -0.019 0.000 2.200 890 Y HA -0.150 4.401 4.550 0.001 0.000 0.290 890 Y C 2.286 178.171 175.900 -0.024 0.000 1.137 890 Y CA 0.932 59.018 58.100 -0.023 0.000 1.163 890 Y CB -0.261 38.188 38.460 -0.018 0.000 0.988 890 Y HN 0.630 nan 8.280 nan 0.000 0.518 891 D N 0.371 120.852 120.400 0.135 0.000 3.181 891 D HA -0.317 4.323 4.640 0.001 0.000 0.190 891 D C 1.734 178.049 176.300 0.026 0.000 1.155 891 D CA 2.133 56.172 54.000 0.065 0.000 0.901 891 D CB -0.353 40.472 40.800 0.042 0.000 0.891 891 D HN 0.412 nan 8.370 nan 0.000 0.498 892 K N -0.045 120.352 120.400 -0.005 0.000 2.283 892 K HA -0.015 4.305 4.320 0.001 0.000 0.202 892 K C 0.925 177.506 176.600 -0.033 0.000 1.048 892 K CA 0.040 56.309 56.287 -0.029 0.000 0.948 892 K CB -0.017 32.449 32.500 -0.055 0.000 0.742 892 K HN 0.177 nan 8.250 nan 0.000 0.458 893 L N 1.991 123.197 121.223 -0.028 0.000 2.453 893 L HA -0.055 4.285 4.340 0.001 0.000 0.272 893 L C 0.478 177.346 176.870 -0.004 0.000 1.182 893 L CA -0.194 54.630 54.840 -0.027 0.000 0.858 893 L CB 0.453 42.509 42.059 -0.006 0.000 1.120 893 L HN 0.081 nan 8.230 nan 0.000 0.474 894 D N 0.947 121.337 120.400 -0.017 0.000 2.315 894 D HA -0.002 4.638 4.640 0.001 0.000 0.275 894 D C 0.622 176.927 176.300 0.009 0.000 1.218 894 D CA 0.013 54.009 54.000 -0.006 0.000 1.040 894 D CB 0.455 41.246 40.800 -0.015 0.000 1.123 894 D HN 0.514 nan 8.370 nan 0.000 0.541 895 D N -1.411 118.997 120.400 0.012 0.000 2.271 895 D HA -0.022 4.618 4.640 0.001 0.000 0.206 895 D C 0.749 177.070 176.300 0.035 0.000 0.967 895 D CA 0.479 54.494 54.000 0.026 0.000 0.867 895 D CB 0.013 40.828 40.800 0.024 0.000 0.960 895 D HN 0.373 nan 8.370 nan 0.000 0.509 896 D N -0.496 119.917 120.400 0.020 0.000 2.378 896 D HA 0.059 4.700 4.640 0.001 0.000 0.227 896 D C 1.374 177.679 176.300 0.009 0.000 1.012 896 D CA 0.642 54.659 54.000 0.029 0.000 0.905 896 D CB -0.354 40.449 40.800 0.006 0.000 0.895 896 D HN 0.143 nan 8.370 nan 0.000 0.532 897 G N -0.351 108.446 108.800 -0.004 0.000 2.160 897 G HA2 -0.215 3.745 3.960 0.001 0.000 0.244 897 G HA3 -0.215 3.745 3.960 0.001 0.000 0.244 897 G C -0.229 174.580 174.900 -0.152 0.000 1.022 897 G CA 0.272 45.353 45.100 -0.031 0.000 0.741 897 G HN 0.412 nan 8.290 nan 0.000 0.508 898 L N -0.721 120.422 121.223 -0.133 0.000 2.393 898 L HA 0.658 4.998 4.340 0.001 0.000 0.260 898 L C 0.458 177.264 176.870 -0.106 0.000 1.002 898 L CA -1.402 53.341 54.840 -0.162 0.000 0.818 898 L CB 2.033 43.984 42.059 -0.181 0.000 1.369 898 L HN 0.004 nan 8.230 nan 0.000 0.412 899 I N 1.601 122.106 120.570 -0.108 0.000 2.428 899 I HA 0.404 4.574 4.170 0.001 0.000 0.289 899 I C 0.593 176.672 176.117 -0.064 0.000 1.019 899 I CA -0.252 60.999 61.300 -0.082 0.000 1.351 899 I CB 1.625 39.572 38.000 -0.090 0.000 1.412 899 I HN 0.650 nan 8.210 nan 0.000 0.513 900 A N 7.648 130.439 122.820 -0.048 0.000 2.388 900 A HA 0.393 4.713 4.320 0.001 0.000 0.257 900 A C -1.579 175.985 177.584 -0.033 0.000 1.095 900 A CA -1.286 50.730 52.037 -0.036 0.000 0.791 900 A CB 0.077 19.061 19.000 -0.027 0.000 1.029 900 A HN 0.567 nan 8.150 nan 0.000 0.489 901 P HA -0.260 nan 4.420 nan 0.000 0.219 901 P C 1.702 178.989 177.300 -0.022 0.000 1.158 901 P CA 2.447 65.534 63.100 -0.020 0.000 0.895 901 P CB 0.095 31.790 31.700 -0.008 0.000 0.792 902 G N -0.698 108.091 108.800 -0.019 0.000 2.450 902 G HA2 -0.184 3.776 3.960 0.001 0.000 0.220 902 G HA3 -0.184 3.776 3.960 0.001 0.000 0.220 902 G C 0.450 175.336 174.900 -0.024 0.000 1.130 902 G CA 0.301 45.390 45.100 -0.018 0.000 0.760 902 G HN 0.206 nan 8.290 nan 0.000 0.557 903 V N 0.023 119.919 119.914 -0.029 0.000 2.975 903 V HA 0.005 4.125 4.120 0.001 0.000 0.300 903 V C 0.877 176.947 176.094 -0.039 0.000 1.186 903 V CA 0.414 62.693 62.300 -0.034 0.000 1.311 903 V CB 0.566 32.364 31.823 -0.042 0.000 0.917 903 V HN 0.385 nan 8.190 nan 0.000 0.512 904 R N 2.748 123.225 120.500 -0.037 0.000 2.287 904 R HA 0.518 4.858 4.340 0.001 0.000 0.316 904 R C -0.642 175.630 176.300 -0.046 0.000 1.050 904 R CA -0.448 55.629 56.100 -0.040 0.000 0.983 904 R CB 1.056 31.338 30.300 -0.030 0.000 1.140 904 R HN 0.755 nan 8.270 nan 0.000 0.528 905 V N 1.191 121.071 119.914 -0.056 0.000 2.743 905 V HA 0.678 4.798 4.120 0.001 0.000 0.301 905 V C 0.319 176.378 176.094 -0.058 0.000 1.057 905 V CA -0.050 62.212 62.300 -0.064 0.000 1.006 905 V CB 1.697 33.471 31.823 -0.082 0.000 1.024 905 V HN 0.850 nan 8.190 nan 0.000 0.473 906 S N 2.201 117.867 115.700 -0.056 0.000 3.865 906 S HA 0.542 5.012 4.470 0.001 0.000 0.182 906 S C 1.461 176.033 174.600 -0.046 0.000 1.141 906 S CA 0.214 58.386 58.200 -0.045 0.000 1.257 906 S CB -0.123 63.056 63.200 -0.035 0.000 1.779 906 S HN 1.448 nan 8.310 nan 0.000 0.816 907 G N 1.480 110.256 108.800 -0.039 0.000 2.304 907 G HA2 -0.108 3.852 3.960 0.001 0.000 0.192 907 G HA3 -0.108 3.852 3.960 0.001 0.000 0.192 907 G C 0.301 175.171 174.900 -0.049 0.000 1.314 907 G CA 1.059 46.137 45.100 -0.038 0.000 0.966 907 G HN 0.732 nan 8.290 nan 0.000 0.550 908 E N 1.039 121.209 120.200 -0.051 0.000 2.496 908 E HA 0.168 4.519 4.350 0.001 0.000 0.200 908 E C -0.617 175.925 176.600 -0.098 0.000 1.016 908 E CA -0.270 56.091 56.400 -0.065 0.000 0.962 908 E CB 0.179 29.859 29.700 -0.033 0.000 1.071 908 E HN 0.484 nan 8.360 nan 0.000 0.457 909 D N 0.720 121.057 120.400 -0.105 0.000 2.429 909 D HA -0.071 4.570 4.640 0.001 0.000 0.233 909 D C 0.080 176.249 176.300 -0.219 0.000 1.202 909 D CA 0.267 54.184 54.000 -0.138 0.000 0.879 909 D CB 0.701 41.431 40.800 -0.117 0.000 1.212 909 D HN -0.179 nan 8.370 nan 0.000 0.465 910 V N 1.426 121.163 119.914 -0.297 0.000 2.732 910 V HA 0.164 4.285 4.120 0.001 0.000 0.297 910 V C 1.169 177.078 176.094 -0.308 0.000 1.060 910 V CA -0.107 61.958 62.300 -0.392 0.000 1.038 910 V CB 1.310 32.724 31.823 -0.683 0.000 1.003 910 V HN 0.531 nan 8.190 nan 0.000 0.481 911 I N 2.857 123.241 120.570 -0.310 0.000 4.471 911 I HA 0.357 4.527 4.170 0.001 0.000 0.326 911 I C -0.033 175.944 176.117 -0.233 0.000 1.300 911 I CA 0.595 61.736 61.300 -0.265 0.000 1.237 911 I CB 0.722 38.522 38.000 -0.333 0.000 1.195 911 I HN 0.378 nan 8.210 nan 0.000 0.427 912 I N 0.951 121.383 120.570 -0.229 0.000 2.571 912 I HA 0.304 4.474 4.170 0.001 0.000 0.286 912 I C -0.228 175.835 176.117 -0.091 0.000 1.134 912 I CA -0.508 60.675 61.300 -0.196 0.000 1.052 912 I CB 1.982 39.866 38.000 -0.192 0.000 1.237 912 I HN -0.071 nan 8.210 nan 0.000 0.435 913 G N 5.395 114.177 108.800 -0.030 0.000 2.325 913 G HA2 0.539 4.500 3.960 0.001 0.000 0.298 913 G HA3 0.539 4.500 3.960 0.001 0.000 0.298 913 G C -0.860 174.208 174.900 0.281 0.000 1.134 913 G CA -0.246 44.932 45.100 0.129 0.000 0.876 913 G HN 0.576 nan 8.290 nan 0.000 0.452 914 K N 0.903 121.467 120.400 0.273 0.000 2.502 914 K HA 0.674 4.994 4.320 0.001 0.000 0.257 914 K C -0.896 175.792 176.600 0.146 0.000 0.938 914 K CA -0.668 55.789 56.287 0.283 0.000 0.819 914 K CB 2.111 34.792 32.500 0.302 0.000 1.333 914 K HN 0.597 nan 8.250 nan 0.000 0.434 915 T N -0.710 113.891 114.554 0.079 0.000 2.900 915 T HA 0.481 4.831 4.350 0.001 0.000 0.295 915 T C -0.786 173.927 174.700 0.023 0.000 1.044 915 T CA -0.727 61.402 62.100 0.049 0.000 0.995 915 T CB 1.764 70.656 68.868 0.040 0.000 1.072 915 T HN 0.352 nan 8.240 nan 0.000 0.473 916 T N 4.316 118.884 114.554 0.023 0.000 2.809 916 T HA 0.574 4.925 4.350 0.001 0.000 0.284 916 T C -2.782 171.912 174.700 -0.010 0.000 0.992 916 T CA -1.207 60.904 62.100 0.018 0.000 0.957 916 T CB 1.616 70.508 68.868 0.040 0.000 0.942 916 T HN 0.544 nan 8.240 nan 0.000 0.439 917 P HA 0.527 nan 4.420 nan 0.000 0.287 917 P C -0.979 176.271 177.300 -0.083 0.000 1.294 917 P CA -0.385 62.684 63.100 -0.052 0.000 0.776 917 P CB 0.899 32.566 31.700 -0.055 0.000 0.889 918 I N 2.483 123.015 120.570 -0.063 0.000 2.569 918 I HA 0.267 4.438 4.170 0.001 0.000 0.290 918 I C 0.333 176.419 176.117 -0.052 0.000 1.088 918 I CA -0.358 60.901 61.300 -0.068 0.000 1.047 918 I CB 2.447 40.417 38.000 -0.049 0.000 1.237 918 I HN 0.409 nan 8.210 nan 0.000 0.421 934 K N 2.950 123.337 120.400 -0.022 0.000 2.291 934 K HA 0.381 4.702 4.320 0.001 0.000 0.242 934 K C -0.691 175.899 176.600 -0.018 0.000 1.098 934 K CA -0.247 56.027 56.287 -0.021 0.000 1.036 934 K CB 0.641 33.122 32.500 -0.032 0.000 1.655 934 K HN 0.335 nan 8.250 nan 0.000 0.432 935 R N 1.422 121.919 120.500 -0.006 0.000 2.312 935 R HA 0.199 4.539 4.340 0.001 0.000 0.311 935 R C -0.208 176.105 176.300 0.020 0.000 1.004 935 R CA -0.784 55.317 56.100 0.002 0.000 0.902 935 R CB 1.222 31.525 30.300 0.005 0.000 1.073 935 R HN 0.393 nan 8.270 nan 0.000 0.457 936 D N 1.556 121.974 120.400 0.030 0.000 2.329 936 D HA 0.270 4.910 4.640 0.001 0.000 0.246 936 D C -0.297 176.044 176.300 0.069 0.000 1.111 936 D CA -0.146 53.893 54.000 0.065 0.000 0.941 936 D CB 1.560 42.416 40.800 0.094 0.000 1.169 936 D HN 0.633 nan 8.370 nan 0.000 0.441 937 A N 1.819 124.693 122.820 0.089 0.000 2.538 937 A HA 0.212 4.533 4.320 0.001 0.000 0.276 937 A C 0.267 177.907 177.584 0.093 0.000 0.908 937 A CA -0.376 51.710 52.037 0.082 0.000 1.042 937 A CB 0.052 19.099 19.000 0.079 0.000 1.218 937 A HN 0.350 nan 8.150 nan 0.000 0.517 938 S N 0.943 116.700 115.700 0.095 0.000 2.589 938 S HA 0.417 4.888 4.470 0.001 0.000 0.265 938 S C 0.343 174.932 174.600 -0.017 0.000 1.342 938 S CA 0.417 58.647 58.200 0.051 0.000 1.005 938 S CB 0.563 63.784 63.200 0.035 0.000 0.909 938 S HN 0.479 nan 8.310 nan 0.000 0.555 939 T N 4.026 118.526 114.554 -0.090 0.000 2.809 939 T HA 0.492 4.842 4.350 0.001 0.000 0.296 939 T C -2.689 171.847 174.700 -0.274 0.000 1.015 939 T CA -1.246 60.764 62.100 -0.150 0.000 0.954 939 T CB 1.403 70.181 68.868 -0.149 0.000 0.950 939 T HN 0.368 nan 8.240 nan 0.000 0.450 940 P HA 0.409 nan 4.420 nan 0.000 0.293 940 P C -0.425 176.644 177.300 -0.385 0.000 1.291 940 P CA -0.944 61.985 63.100 -0.285 0.000 0.867 940 P CB 1.307 32.907 31.700 -0.167 0.000 1.074 941 L N 3.519 124.501 121.223 -0.402 0.000 2.540 941 L HA 0.055 4.396 4.340 0.001 0.000 0.276 941 L C 0.956 177.749 176.870 -0.128 0.000 1.212 941 L CA 0.345 54.962 54.840 -0.372 0.000 0.893 941 L CB -0.297 41.643 42.059 -0.198 0.000 1.138 941 L HN 0.322 nan 8.230 nan 0.000 0.491 942 R N 3.406 123.930 120.500 0.041 0.000 2.485 942 R HA -0.102 4.238 4.340 0.001 0.000 0.304 942 R C 1.670 177.981 176.300 0.018 0.000 0.934 942 R CA 0.680 56.821 56.100 0.067 0.000 1.102 942 R CB 0.180 30.560 30.300 0.133 0.000 0.906 942 R HN 1.045 nan 8.270 nan 0.000 0.407 943 S N 1.875 117.573 115.700 -0.003 0.000 2.457 943 S HA -0.349 4.121 4.470 0.001 0.000 0.269 943 S C 1.887 176.482 174.600 -0.009 0.000 1.139 943 S CA 2.428 60.619 58.200 -0.014 0.000 1.176 943 S CB -0.880 62.311 63.200 -0.016 0.000 1.088 943 S HN 0.837 nan 8.310 nan 0.000 0.443 944 T N -0.493 114.061 114.554 0.000 0.000 2.809 944 T HA 0.165 4.516 4.350 0.001 0.000 0.260 944 T C 0.913 175.619 174.700 0.011 0.000 1.039 944 T CA 0.558 62.661 62.100 0.004 0.000 1.141 944 T CB -0.636 68.235 68.868 0.005 0.000 0.869 944 T HN 0.600 nan 8.240 nan 0.000 0.437 945 E N 2.600 122.814 120.200 0.024 0.000 2.455 945 E HA 0.269 4.619 4.350 0.001 0.000 0.259 945 E C -0.040 176.557 176.600 -0.006 0.000 1.245 945 E CA 0.287 56.699 56.400 0.020 0.000 1.013 945 E CB 0.163 29.875 29.700 0.021 0.000 0.978 945 E HN 0.720 nan 8.360 nan 0.000 0.479 946 N N -0.812 117.874 118.700 -0.023 0.000 3.217 946 N HA 0.391 5.132 4.740 0.001 0.000 0.236 946 N C -0.664 174.813 175.510 -0.054 0.000 1.136 946 N CA -0.017 53.011 53.050 -0.036 0.000 0.997 946 N CB 1.010 39.482 38.487 -0.025 0.000 1.658 946 N HN 0.593 nan 8.380 nan 0.000 0.527 947 G N 0.364 109.125 108.800 -0.064 0.000 2.552 947 G HA2 0.374 4.334 3.960 0.001 0.000 0.137 947 G HA3 0.374 4.334 3.960 0.001 0.000 0.137 947 G C -1.836 173.018 174.900 -0.078 0.000 1.135 947 G CA -0.517 44.536 45.100 -0.079 0.000 1.047 947 G HN 0.613 nan 8.290 nan 0.000 0.501 948 I N 0.858 121.368 120.570 -0.100 0.000 2.582 948 I HA 0.464 4.635 4.170 0.001 0.000 0.292 948 I C 0.567 176.625 176.117 -0.098 0.000 1.066 948 I CA -1.073 60.176 61.300 -0.085 0.000 1.053 948 I CB 2.151 40.108 38.000 -0.072 0.000 1.241 948 I HN 0.313 nan 8.210 nan 0.000 0.421 949 V N 3.673 123.544 119.914 -0.072 0.000 3.625 949 V HA -0.070 4.050 4.120 0.001 0.000 0.302 949 V C 0.536 176.594 176.094 -0.060 0.000 1.112 949 V CA 0.948 63.212 62.300 -0.061 0.000 1.173 949 V CB 0.883 32.677 31.823 -0.048 0.000 1.096 949 V HN 1.046 nan 8.190 nan 0.000 0.486 950 D N -1.289 119.091 120.400 -0.034 0.000 2.204 950 D HA 0.127 4.768 4.640 0.001 0.000 0.337 950 D C 0.028 176.354 176.300 0.042 0.000 1.054 950 D CA 0.046 54.045 54.000 -0.001 0.000 0.869 950 D CB 0.579 41.368 40.800 -0.018 0.000 1.548 950 D HN 0.540 nan 8.370 nan 0.000 0.530 951 Q N 0.881 120.700 119.800 0.032 0.000 2.825 951 Q HA 0.263 4.604 4.340 0.001 0.000 0.219 951 Q C -1.924 174.085 176.000 0.014 0.000 0.942 951 Q CA -0.406 55.417 55.803 0.034 0.000 1.147 951 Q CB 1.162 29.942 28.738 0.068 0.000 1.723 951 Q HN -0.001 nan 8.270 nan 0.000 0.541 952 V N 3.535 123.445 119.914 -0.007 0.000 3.345 952 V HA 0.779 4.899 4.120 0.001 0.000 0.308 952 V C -0.129 175.951 176.094 -0.023 0.000 1.168 952 V CA -0.703 61.578 62.300 -0.032 0.000 1.024 952 V CB 1.955 33.745 31.823 -0.056 0.000 1.211 952 V HN 0.768 nan 8.190 nan 0.000 0.461 953 L N -0.521 120.678 121.223 -0.039 0.000 2.982 953 L HA 0.580 4.920 4.340 0.001 0.000 0.262 953 L C -1.816 175.045 176.870 -0.015 0.000 0.932 953 L CA -0.617 54.216 54.840 -0.013 0.000 1.058 953 L CB 1.405 43.471 42.059 0.012 0.000 1.665 953 L HN 0.334 nan 8.230 nan 0.000 0.499 954 V N 2.801 122.721 119.914 0.010 0.000 2.370 954 V HA 0.755 4.875 4.120 0.001 0.000 0.279 954 V C 0.411 176.563 176.094 0.096 0.000 1.029 954 V CA 0.158 62.485 62.300 0.045 0.000 0.870 954 V CB 1.287 33.135 31.823 0.042 0.000 0.984 954 V HN 0.954 nan 8.190 nan 0.000 0.451 955 T N 2.582 117.237 114.554 0.169 0.000 2.804 955 T HA 0.575 4.926 4.350 0.001 0.000 0.290 955 T C -0.278 174.557 174.700 0.226 0.000 1.099 955 T CA -0.601 61.616 62.100 0.196 0.000 1.011 955 T CB 2.127 71.152 68.868 0.262 0.000 1.291 955 T HN 0.620 nan 8.240 nan 0.000 0.523 956 T N 2.018 116.659 114.554 0.146 0.000 2.888 956 T HA 0.630 4.980 4.350 0.001 0.000 0.284 956 T C -0.558 174.155 174.700 0.021 0.000 1.017 956 T CA -0.821 61.338 62.100 0.098 0.000 1.022 956 T CB 1.166 70.063 68.868 0.049 0.000 1.013 956 T HN 0.551 nan 8.240 nan 0.000 0.465 957 N N 0.956 119.644 118.700 -0.020 0.000 2.399 957 N HA 0.225 4.966 4.740 0.001 0.000 0.280 957 N C 1.087 176.554 175.510 -0.070 0.000 1.008 957 N CA -0.450 52.519 53.050 -0.135 0.000 0.894 957 N CB 0.970 39.300 38.487 -0.263 0.000 1.273 957 N HN 0.698 nan 8.380 nan 0.000 0.486 958 Q N 1.190 120.953 119.800 -0.062 0.000 2.629 958 Q HA -0.379 3.962 4.340 0.001 0.000 0.236 958 Q C 0.076 176.067 176.000 -0.015 0.000 1.166 958 Q CA 2.737 58.523 55.803 -0.029 0.000 1.024 958 Q CB -0.631 28.091 28.738 -0.027 0.000 0.949 958 Q HN 0.759 nan 8.270 nan 0.000 0.570 959 D N -0.898 119.491 120.400 -0.019 0.000 2.403 959 D HA -0.012 4.628 4.640 0.001 0.000 0.227 959 D C 1.152 177.452 176.300 -0.000 0.000 0.995 959 D CA 1.328 55.323 54.000 -0.008 0.000 0.928 959 D CB -0.068 40.723 40.800 -0.014 0.000 0.887 959 D HN 0.667 nan 8.370 nan 0.000 0.529 960 G N 0.600 109.402 108.800 0.003 0.000 2.132 960 G HA2 -0.261 3.699 3.960 0.001 0.000 0.234 960 G HA3 -0.261 3.699 3.960 0.001 0.000 0.234 960 G C 0.183 175.097 174.900 0.024 0.000 0.989 960 G CA -0.189 44.919 45.100 0.014 0.000 0.676 960 G HN 0.304 nan 8.290 nan 0.000 0.522 961 L N 0.100 121.339 121.223 0.027 0.000 2.350 961 L HA 0.429 4.769 4.340 0.001 0.000 0.275 961 L C 0.967 177.900 176.870 0.106 0.000 1.099 961 L CA -0.693 54.174 54.840 0.044 0.000 0.808 961 L CB 0.851 42.934 42.059 0.040 0.000 1.149 961 L HN -0.021 nan 8.230 nan 0.000 0.442 962 K N 2.628 123.091 120.400 0.104 0.000 2.378 962 K HA 0.191 4.512 4.320 0.001 0.000 0.288 962 K C -0.888 175.926 176.600 0.358 0.000 1.057 962 K CA 0.003 56.416 56.287 0.211 0.000 0.971 962 K CB 0.388 33.010 32.500 0.203 0.000 0.975 962 K HN 0.244 nan 8.250 nan 0.000 0.475 963 F N 3.714 123.767 119.950 0.171 0.000 2.436 963 F HA 0.387 4.915 4.527 0.001 0.000 0.340 963 F C -0.687 175.211 175.800 0.164 0.000 1.113 963 F CA -0.847 57.251 58.000 0.162 0.000 1.022 963 F CB 1.133 40.190 39.000 0.095 0.000 1.128 963 F HN 0.095 nan 8.300 nan 0.000 0.466 964 V N 6.065 125.791 119.914 -0.313 0.000 2.733 964 V HA 0.387 4.507 4.120 0.001 0.000 0.306 964 V C -1.028 174.823 176.094 -0.406 0.000 1.084 964 V CA -1.031 61.094 62.300 -0.292 0.000 0.905 964 V CB 2.306 33.975 31.823 -0.258 0.000 1.010 964 V HN 0.650 nan 8.190 nan 0.000 0.424 965 K N 3.543 123.771 120.400 -0.288 0.000 2.376 965 K HA 0.785 5.105 4.320 0.001 0.000 0.257 965 K C -1.235 175.309 176.600 -0.094 0.000 0.939 965 K CA -0.581 55.589 56.287 -0.195 0.000 0.809 965 K CB 2.457 34.868 32.500 -0.148 0.000 1.121 965 K HN 0.453 nan 8.250 nan 0.000 0.425 966 V N 2.547 122.434 119.914 -0.046 0.000 2.769 966 V HA 0.534 4.654 4.120 0.001 0.000 0.312 966 V C -0.284 175.832 176.094 0.036 0.000 1.058 966 V CA -0.996 61.301 62.300 -0.006 0.000 0.952 966 V CB 1.786 33.611 31.823 0.002 0.000 1.019 966 V HN 0.709 nan 8.190 nan 0.000 0.445 967 R N 1.729 122.248 120.500 0.032 0.000 2.538 967 R HA 0.745 5.086 4.340 0.001 0.000 0.292 967 R C -2.037 174.256 176.300 -0.011 0.000 1.008 967 R CA -0.378 55.740 56.100 0.029 0.000 0.896 967 R CB 2.161 32.517 30.300 0.094 0.000 1.187 967 R HN 0.572 nan 8.270 nan 0.000 0.440 968 V N 4.618 124.483 119.914 -0.081 0.000 2.513 968 V HA 0.541 4.662 4.120 0.001 0.000 0.299 968 V C -0.179 175.696 176.094 -0.366 0.000 1.035 968 V CA -0.765 61.438 62.300 -0.161 0.000 0.889 968 V CB 1.664 33.423 31.823 -0.106 0.000 0.988 968 V HN 0.651 nan 8.190 nan 0.000 0.440 969 R N 2.700 122.945 120.500 -0.424 0.000 2.562 969 R HA 0.700 5.041 4.340 0.001 0.000 0.298 969 R C -1.172 174.887 176.300 -0.402 0.000 0.961 969 R CA -0.166 55.518 56.100 -0.693 0.000 0.881 969 R CB 1.992 31.755 30.300 -0.894 0.000 1.159 969 R HN 0.798 nan 8.270 nan 0.000 0.450 970 T N 1.759 116.108 114.554 -0.342 0.000 2.906 970 T HA 0.349 4.699 4.350 0.001 0.000 0.295 970 T C -0.820 173.874 174.700 -0.010 0.000 1.061 970 T CA -0.500 61.521 62.100 -0.131 0.000 1.000 970 T CB 1.915 70.734 68.868 -0.082 0.000 1.103 970 T HN 0.444 nan 8.240 nan 0.000 0.486 971 T N 3.082 117.651 114.554 0.025 0.000 2.756 971 T HA 0.387 4.738 4.350 0.001 0.000 0.290 971 T C -0.284 174.413 174.700 -0.005 0.000 0.985 971 T CA -0.669 61.460 62.100 0.048 0.000 0.955 971 T CB 0.441 69.362 68.868 0.088 0.000 0.930 971 T HN 0.322 nan 8.240 nan 0.000 0.451 972 K N 3.674 124.059 120.400 -0.025 0.000 2.240 972 K HA 0.507 4.828 4.320 0.001 0.000 0.271 972 K C -0.294 176.245 176.600 -0.102 0.000 1.018 972 K CA -0.522 55.739 56.287 -0.043 0.000 0.874 972 K CB 1.533 34.019 32.500 -0.022 0.000 1.098 972 K HN 0.517 nan 8.250 nan 0.000 0.458 973 I N 5.068 125.591 120.570 -0.079 0.000 2.428 973 I HA 0.223 4.393 4.170 0.001 0.000 0.296 973 I C -1.807 174.292 176.117 -0.030 0.000 0.985 973 I CA -2.496 58.760 61.300 -0.073 0.000 1.260 973 I CB 1.300 39.268 38.000 -0.054 0.000 1.389 973 I HN 0.372 nan 8.210 nan 0.000 0.484 974 P HA 0.032 nan 4.420 nan 0.000 0.267 974 P C -1.008 176.310 177.300 0.030 0.000 1.205 974 P CA 0.145 63.288 63.100 0.073 0.000 0.765 974 P CB 1.260 33.090 31.700 0.217 0.000 0.828 975 Q N 2.127 121.921 119.800 -0.010 0.000 2.990 975 Q HA 0.378 4.718 4.340 0.001 0.000 0.255 975 Q C 1.235 177.221 176.000 -0.023 0.000 1.040 975 Q CA -0.891 54.899 55.803 -0.021 0.000 0.897 975 Q CB 1.354 30.067 28.738 -0.043 0.000 1.429 975 Q HN 0.244 nan 8.270 nan 0.000 0.497 976 I N -0.033 120.519 120.570 -0.030 0.000 2.500 976 I HA -0.048 4.122 4.170 0.001 0.000 0.252 976 I C 1.648 177.737 176.117 -0.048 0.000 1.142 976 I CA 1.250 62.534 61.300 -0.027 0.000 1.451 976 I CB -0.161 37.827 38.000 -0.021 0.000 1.093 976 I HN 0.813 nan 8.210 nan 0.000 0.430 977 G N -0.010 108.748 108.800 -0.071 0.000 2.623 977 G HA2 -0.085 3.876 3.960 0.001 0.000 0.214 977 G HA3 -0.085 3.876 3.960 0.001 0.000 0.214 977 G C 0.178 174.988 174.900 -0.151 0.000 1.138 977 G CA -0.145 44.898 45.100 -0.094 0.000 0.794 977 G HN 0.272 nan 8.290 nan 0.000 0.535 978 D N 0.549 120.829 120.400 -0.201 0.000 2.506 978 D HA 0.196 4.836 4.640 0.001 0.000 0.234 978 D C 0.447 176.439 176.300 -0.513 0.000 1.143 978 D CA 0.656 54.434 54.000 -0.371 0.000 0.871 978 D CB 0.937 41.472 40.800 -0.442 0.000 1.190 978 D HN 0.079 nan 8.370 nan 0.000 0.459 979 K N 1.549 121.602 120.400 -0.579 0.000 2.143 979 K HA 0.534 4.854 4.320 0.001 0.000 0.272 979 K C -0.998 175.112 176.600 -0.817 0.000 1.001 979 K CA -0.405 55.590 56.287 -0.486 0.000 0.915 979 K CB 0.647 32.984 32.500 -0.271 0.000 1.047 979 K HN 0.350 nan 8.250 nan 0.000 0.458 980 F N 0.428 120.305 119.950 -0.121 0.000 2.664 980 F HA 0.684 5.212 4.527 0.001 0.000 0.317 980 F C -0.657 175.164 175.800 0.034 0.000 1.108 980 F CA -0.943 56.981 58.000 -0.126 0.000 0.957 980 F CB 2.476 41.323 39.000 -0.254 0.000 1.365 980 F HN 0.577 nan 8.300 nan 0.000 0.475 981 A N 0.717 123.795 122.820 0.431 0.000 2.590 981 A HA 0.588 4.908 4.320 0.001 0.000 0.296 981 A C -0.724 177.010 177.584 0.249 0.000 1.050 981 A CA -0.313 51.952 52.037 0.380 0.000 0.697 981 A CB 0.976 20.084 19.000 0.180 0.000 1.277 981 A HN 0.866 nan 8.150 nan 0.000 0.411 982 S N 1.063 116.734 115.700 -0.048 0.000 2.393 982 S HA 0.551 5.021 4.470 0.001 0.000 0.255 982 S C 0.370 174.910 174.600 -0.100 0.000 1.210 982 S CA -0.196 57.721 58.200 -0.471 0.000 1.013 982 S CB 0.199 63.170 63.200 -0.382 0.000 1.055 982 S HN 0.680 nan 8.310 nan 0.000 0.483 983 R N 0.385 120.852 120.500 -0.055 0.000 2.997 983 R HA 0.387 4.728 4.340 0.001 0.000 0.358 983 R C -0.490 175.519 176.300 -0.485 0.000 1.191 983 R CA -0.200 55.774 56.100 -0.210 0.000 1.113 983 R CB -0.045 30.103 30.300 -0.253 0.000 1.433 983 R HN 0.616 nan 8.270 nan 0.000 0.584 984 H N -0.715 118.384 119.070 0.049 0.000 3.204 984 H HA 0.140 4.697 4.556 0.001 0.000 0.240 984 H C 0.576 175.932 175.328 0.046 0.000 1.259 984 H CA 0.038 56.120 56.048 0.057 0.000 0.991 984 H CB 1.445 31.273 29.762 0.109 0.000 2.583 984 H HN 0.521 nan 8.280 nan 0.000 0.638 985 G N 2.156 111.041 108.800 0.140 0.000 2.283 985 G HA2 -0.350 3.611 3.960 0.001 0.000 0.280 985 G HA3 -0.350 3.611 3.960 0.001 0.000 0.280 985 G C 0.711 175.709 174.900 0.163 0.000 1.029 985 G CA 0.630 45.836 45.100 0.177 0.000 0.840 985 G HN 0.358 nan 8.290 nan 0.000 0.505 986 Q N 0.300 120.194 119.800 0.156 0.000 2.253 986 Q HA 0.182 4.522 4.340 0.001 0.000 0.210 986 Q C 1.481 177.580 176.000 0.165 0.000 0.907 986 Q CA 0.244 56.131 55.803 0.139 0.000 0.948 986 Q CB -0.096 28.735 28.738 0.154 0.000 1.033 986 Q HN 0.805 nan 8.270 nan 0.000 0.471 987 K N -0.837 119.649 120.400 0.143 0.000 2.548 987 K HA 0.183 4.504 4.320 0.001 0.000 0.277 987 K C 0.100 176.757 176.600 0.094 0.000 1.001 987 K CA 0.945 57.299 56.287 0.112 0.000 1.102 987 K CB 0.066 32.603 32.500 0.061 0.000 0.848 987 K HN 0.154 nan 8.250 nan 0.000 0.487 988 G N 1.441 110.295 108.800 0.089 0.000 2.667 988 G HA2 0.417 4.377 3.960 0.001 0.000 0.294 988 G HA3 0.417 4.377 3.960 0.001 0.000 0.294 988 G C -1.146 173.776 174.900 0.036 0.000 1.467 988 G CA -0.537 44.599 45.100 0.060 0.000 0.852 988 G HN 0.811 nan 8.290 nan 0.000 0.521 989 T N -1.318 113.236 114.554 0.001 0.000 2.940 989 T HA 0.750 5.100 4.350 0.001 0.000 0.288 989 T C 0.514 175.220 174.700 0.010 0.000 1.045 989 T CA -0.785 61.295 62.100 -0.033 0.000 1.018 989 T CB 1.230 70.046 68.868 -0.086 0.000 1.151 989 T HN 0.530 nan 8.240 nan 0.000 0.529 990 I N 1.014 121.593 120.570 0.014 0.000 2.938 990 I HA 0.377 4.547 4.170 0.001 0.000 0.285 990 I C 1.526 177.660 176.117 0.027 0.000 1.182 990 I CA 0.156 61.483 61.300 0.045 0.000 1.388 990 I CB 0.631 38.665 38.000 0.056 0.000 1.390 990 I HN 1.018 nan 8.210 nan 0.000 0.600 991 G N 5.208 114.044 108.800 0.060 0.000 2.649 991 G HA2 0.366 4.326 3.960 0.001 0.000 0.199 991 G HA3 0.366 4.326 3.960 0.001 0.000 0.199 991 G C 0.027 175.004 174.900 0.129 0.000 1.085 991 G CA 0.204 45.352 45.100 0.081 0.000 0.804 991 G HN 0.512 nan 8.290 nan 0.000 0.671 992 I N 1.114 121.729 120.570 0.075 0.000 2.793 992 I HA 0.372 4.542 4.170 0.001 0.000 0.295 992 I C -1.383 174.651 176.117 -0.139 0.000 1.610 992 I CA -0.739 60.525 61.300 -0.061 0.000 0.986 992 I CB 2.170 40.062 38.000 -0.180 0.000 1.402 992 I HN 0.116 nan 8.210 nan 0.000 0.500 993 T N 2.018 116.447 114.554 -0.209 0.000 2.888 993 T HA 0.693 5.043 4.350 0.001 0.000 0.284 993 T C -0.982 173.579 174.700 -0.231 0.000 1.017 993 T CA -0.470 61.557 62.100 -0.122 0.000 1.022 993 T CB 1.574 70.416 68.868 -0.045 0.000 1.013 993 T HN 0.470 nan 8.240 nan 0.000 0.465 994 Y N -0.254 120.058 120.300 0.020 0.000 2.665 994 Y HA 0.694 5.244 4.550 0.001 0.000 0.336 994 Y C 0.619 176.546 175.900 0.045 0.000 1.085 994 Y CA -1.537 56.583 58.100 0.033 0.000 1.096 994 Y CB 2.308 40.803 38.460 0.058 0.000 1.301 994 Y HN 0.521 nan 8.280 nan 0.000 0.493 995 R N -0.297 120.369 120.500 0.277 0.000 2.902 995 R HA 0.443 4.784 4.340 0.001 0.000 0.258 995 R C 0.730 177.123 176.300 0.155 0.000 1.071 995 R CA -0.916 55.285 56.100 0.168 0.000 1.024 995 R CB 1.351 31.728 30.300 0.128 0.000 1.184 995 R HN 0.659 nan 8.270 nan 0.000 0.492 996 R N 0.825 121.399 120.500 0.124 0.000 2.185 996 R HA -0.233 4.108 4.340 0.001 0.000 0.247 996 R C 1.239 177.633 176.300 0.157 0.000 1.159 996 R CA 1.752 57.929 56.100 0.129 0.000 0.988 996 R CB -0.143 30.217 30.300 0.100 0.000 0.871 996 R HN 0.542 nan 8.270 nan 0.000 0.458 997 E N 0.563 120.850 120.200 0.144 0.000 2.031 997 E HA -0.159 4.191 4.350 0.001 0.000 0.193 997 E C 1.435 178.152 176.600 0.194 0.000 0.994 997 E CA 1.430 57.926 56.400 0.160 0.000 0.800 997 E CB -0.143 29.636 29.700 0.131 0.000 0.752 997 E HN 0.321 nan 8.360 nan 0.000 0.447 998 D N -0.341 120.172 120.400 0.189 0.000 2.323 998 D HA -0.002 4.638 4.640 0.001 0.000 0.209 998 D C 0.462 176.761 176.300 -0.001 0.000 0.973 998 D CA 0.184 54.292 54.000 0.179 0.000 0.874 998 D CB -0.032 40.907 40.800 0.232 0.000 0.930 998 D HN 0.148 nan 8.370 nan 0.000 0.521 999 M N 2.280 121.914 119.600 0.057 0.000 2.238 999 M HA 0.144 4.624 4.480 0.001 0.000 0.347 999 M C -2.386 173.885 176.300 -0.049 0.000 1.173 999 M CA -1.680 53.624 55.300 0.006 0.000 1.147 999 M CB 0.877 33.511 32.600 0.058 0.000 1.547 999 M HN -0.258 nan 8.290 nan 0.000 0.455 1000 P HA 0.189 nan 4.420 nan 0.000 0.282 1000 P C -1.496 175.704 177.300 -0.166 0.000 1.262 1000 P CA -0.147 62.700 63.100 -0.421 0.000 0.773 1000 P CB -0.057 31.128 31.700 -0.857 0.000 0.879 1001 F N 0.266 120.251 119.950 0.058 0.000 2.575 1001 F HA 0.758 5.286 4.527 0.001 0.000 0.330 1001 F C -0.194 175.736 175.800 0.216 0.000 1.056 1001 F CA -1.661 56.421 58.000 0.136 0.000 0.964 1001 F CB 0.879 39.937 39.000 0.097 0.000 1.258 1001 F HN 0.214 nan 8.300 nan 0.000 0.484 1002 T N 1.358 116.239 114.554 0.544 0.000 2.758 1002 T HA 0.536 4.887 4.350 0.001 0.000 0.285 1002 T C 1.084 176.007 174.700 0.372 0.000 0.981 1002 T CA -0.054 62.282 62.100 0.393 0.000 0.965 1002 T CB 0.883 69.807 68.868 0.094 0.000 0.927 1002 T HN 1.225 nan 8.240 nan 0.000 0.448 1003 A N 4.575 127.674 122.820 0.465 0.000 1.941 1003 A HA -0.279 4.042 4.320 0.001 0.000 0.233 1003 A C 2.142 179.770 177.584 0.074 0.000 1.649 1003 A CA 2.632 54.811 52.037 0.236 0.000 0.726 1003 A CB -1.171 17.993 19.000 0.273 0.000 0.843 1003 A HN 0.933 nan 8.150 nan 0.000 0.511 1004 E N -1.992 118.263 120.200 0.092 0.000 2.169 1004 E HA -0.190 4.161 4.350 0.001 0.000 0.202 1004 E C 1.704 178.302 176.600 -0.004 0.000 1.016 1004 E CA 1.866 58.295 56.400 0.049 0.000 0.817 1004 E CB -0.417 29.331 29.700 0.081 0.000 0.736 1004 E HN 1.062 nan 8.360 nan 0.000 0.462 1005 G N 0.318 109.111 108.800 -0.011 0.000 2.909 1005 G HA2 -0.229 3.731 3.960 0.001 0.000 0.198 1005 G HA3 -0.229 3.731 3.960 0.001 0.000 0.198 1005 G C 0.571 175.471 174.900 0.000 0.000 1.124 1005 G CA -0.079 44.982 45.100 -0.065 0.000 0.796 1005 G HN 0.259 nan 8.290 nan 0.000 0.489 1006 I N 0.728 121.298 120.570 -0.001 0.000 3.259 1006 I HA 0.340 4.510 4.170 0.001 0.000 0.312 1006 I C 0.628 176.837 176.117 0.154 0.000 1.211 1006 I CA 0.061 61.369 61.300 0.014 0.000 1.431 1006 I CB 0.110 38.025 38.000 -0.142 0.000 1.304 1006 I HN 0.413 nan 8.210 nan 0.000 0.572 1007 V N 4.724 124.784 119.914 0.243 0.000 3.178 1007 V HA 0.569 4.690 4.120 0.001 0.000 0.302 1007 V C -2.349 173.940 176.094 0.325 0.000 1.262 1007 V CA -1.428 61.072 62.300 0.333 0.000 1.030 1007 V CB 2.625 34.575 31.823 0.213 0.000 1.074 1007 V HN 0.887 nan 8.190 nan 0.000 0.438 1008 P HA 0.385 nan 4.420 nan 0.000 0.276 1008 P C -0.745 176.540 177.300 -0.025 0.000 1.261 1008 P CA 0.041 63.094 63.100 -0.079 0.000 0.800 1008 P CB 1.245 32.685 31.700 -0.434 0.000 1.066 1009 D N -0.716 119.660 120.400 -0.040 0.000 2.422 1009 D HA 0.145 4.786 4.640 0.001 0.000 0.218 1009 D C 0.287 176.553 176.300 -0.056 0.000 1.047 1009 D CA 0.691 54.678 54.000 -0.021 0.000 0.885 1009 D CB 0.448 41.239 40.800 -0.015 0.000 1.035 1009 D HN 0.107 nan 8.370 nan 0.000 0.502 1010 L N 0.410 121.570 121.223 -0.106 0.000 2.303 1010 L HA 0.520 4.861 4.340 0.001 0.000 0.256 1010 L C -1.186 175.597 176.870 -0.145 0.000 1.034 1010 L CA -0.885 53.869 54.840 -0.143 0.000 0.832 1010 L CB 2.368 44.291 42.059 -0.226 0.000 1.403 1010 L HN -0.160 nan 8.230 nan 0.000 0.419 1011 I N 4.009 124.516 120.570 -0.105 0.000 2.743 1011 I HA 0.254 4.424 4.170 0.001 0.000 0.268 1011 I C -0.296 175.803 176.117 -0.029 0.000 1.441 1011 I CA -0.264 60.980 61.300 -0.094 0.000 0.912 1011 I CB 1.000 38.961 38.000 -0.065 0.000 1.410 1011 I HN 0.471 nan 8.210 nan 0.000 0.540 1012 I N 0.217 120.778 120.570 -0.015 0.000 2.519 1012 I HA 0.367 4.537 4.170 0.001 0.000 0.287 1012 I C 0.438 176.568 176.117 0.022 0.000 1.047 1012 I CA -0.022 61.295 61.300 0.028 0.000 1.381 1012 I CB 0.978 39.025 38.000 0.079 0.000 1.417 1012 I HN 0.403 nan 8.210 nan 0.000 0.540 1013 N N 8.096 126.821 118.700 0.040 0.000 2.468 1013 N HA 0.108 4.848 4.740 0.001 0.000 0.265 1013 N C -1.444 174.057 175.510 -0.014 0.000 1.199 1013 N CA -1.379 51.695 53.050 0.039 0.000 0.928 1013 N CB 1.143 39.693 38.487 0.105 0.000 1.059 1013 N HN 0.532 nan 8.380 nan 0.000 0.467 1014 P HA -0.205 nan 4.420 nan 0.000 0.217 1014 P C 0.834 178.012 177.300 -0.202 0.000 1.148 1014 P CA 1.513 64.500 63.100 -0.188 0.000 0.834 1014 P CB -0.015 31.521 31.700 -0.274 0.000 0.783 1015 H N 0.344 119.402 119.070 -0.021 0.000 2.457 1015 H HA 0.023 4.580 4.556 0.001 0.000 0.297 1015 H C 1.639 176.946 175.328 -0.034 0.000 1.092 1015 H CA 1.330 57.364 56.048 -0.023 0.000 1.309 1015 H CB -0.676 29.079 29.762 -0.012 0.000 1.382 1015 H HN 0.162 nan 8.280 nan 0.000 0.535 1016 A N 0.895 123.751 122.820 0.060 0.000 2.223 1016 A HA 0.049 4.370 4.320 0.001 0.000 0.222 1016 A C 1.521 179.072 177.584 -0.054 0.000 1.317 1016 A CA 0.340 52.381 52.037 0.008 0.000 0.985 1016 A CB -0.596 18.404 19.000 0.000 0.000 0.858 1016 A HN 0.162 nan 8.150 nan 0.000 0.496 1017 I N -1.184 119.352 120.570 -0.056 0.000 3.818 1017 I HA 0.108 4.279 4.170 0.001 0.000 0.242 1017 I C -0.856 175.224 176.117 -0.062 0.000 1.111 1017 I CA -0.227 61.017 61.300 -0.093 0.000 1.576 1017 I CB -1.766 36.156 38.000 -0.131 0.000 1.572 1017 I HN 0.008 nan 8.210 nan 0.000 0.450 1018 P HA -0.233 nan 4.420 nan 0.000 0.226 1018 P C 1.652 178.940 177.300 -0.019 0.000 1.154 1018 P CA 2.910 65.995 63.100 -0.026 0.000 0.918 1018 P CB -0.008 31.691 31.700 -0.002 0.000 0.790 1019 S N -3.211 112.481 115.700 -0.013 0.000 2.492 1019 S HA 0.119 4.589 4.470 0.001 0.000 0.218 1019 S C 1.807 176.391 174.600 -0.026 0.000 1.016 1019 S CA -0.197 57.995 58.200 -0.014 0.000 0.916 1019 S CB -0.335 62.861 63.200 -0.005 0.000 0.791 1019 S HN -0.033 nan 8.310 nan 0.000 0.513 1020 R N 1.250 121.730 120.500 -0.034 0.000 2.090 1020 R HA 0.219 4.560 4.340 0.001 0.000 0.228 1020 R C 0.760 177.030 176.300 -0.049 0.000 1.110 1020 R CA 0.671 56.743 56.100 -0.047 0.000 0.973 1020 R CB -0.977 29.291 30.300 -0.054 0.000 0.869 1020 R HN 0.507 nan 8.270 nan 0.000 0.440 1021 M N 1.159 120.732 119.600 -0.045 0.000 2.253 1021 M HA -0.169 4.311 4.480 0.001 0.000 0.195 1021 M C -0.226 176.059 176.300 -0.025 0.000 0.512 1021 M CA 0.905 56.184 55.300 -0.035 0.000 0.442 1021 M CB -1.647 30.939 32.600 -0.024 0.000 1.189 1021 M HN 0.083 nan 8.290 nan 0.000 0.923 1022 T N -0.738 113.790 114.554 -0.043 0.000 2.853 1022 T HA 0.533 4.884 4.350 0.001 0.000 0.317 1022 T C 0.711 175.376 174.700 -0.057 0.000 1.059 1022 T CA -0.645 61.442 62.100 -0.021 0.000 0.954 1022 T CB 0.706 69.555 68.868 -0.031 0.000 0.994 1022 T HN 0.211 nan 8.240 nan 0.000 0.479 1023 V N 4.683 124.590 119.914 -0.012 0.000 2.878 1023 V HA 0.132 4.252 4.120 0.001 0.000 0.250 1023 V C 2.881 178.946 176.094 -0.049 0.000 1.075 1023 V CA 1.271 63.542 62.300 -0.047 0.000 1.096 1023 V CB -0.975 30.831 31.823 -0.028 0.000 0.724 1023 V HN 0.920 nan 8.190 nan 0.000 0.467 1024 A N 0.535 123.381 122.820 0.044 0.000 1.884 1024 A HA -0.370 3.951 4.320 0.001 0.000 0.219 1024 A C 2.249 179.811 177.584 -0.037 0.000 1.197 1024 A CA 2.522 54.661 52.037 0.170 0.000 0.637 1024 A CB -1.086 18.187 19.000 0.456 0.000 0.827 1024 A HN 0.686 nan 8.150 nan 0.000 0.450 1025 H N -0.051 118.516 119.070 -0.838 0.000 2.319 1025 H HA -0.134 4.423 4.556 0.001 0.000 0.297 1025 H C 1.999 177.193 175.328 -0.223 0.000 1.097 1025 H CA 2.091 57.576 56.048 -0.938 0.000 1.285 1025 H CB -0.496 28.720 29.762 -0.911 0.000 1.368 1025 H HN 0.425 nan 8.280 nan 0.000 0.495 1026 L N 0.130 121.395 121.223 0.070 0.000 2.042 1026 L HA -0.200 4.140 4.340 0.001 0.000 0.210 1026 L C 2.889 179.823 176.870 0.106 0.000 1.076 1026 L CA 1.291 56.154 54.840 0.038 0.000 0.749 1026 L CB -0.277 41.681 42.059 -0.168 0.000 0.893 1026 L HN 0.283 nan 8.230 nan 0.000 0.432 1027 I N -0.608 119.995 120.570 0.055 0.000 2.202 1027 I HA -0.312 3.859 4.170 0.001 0.000 0.242 1027 I C 2.497 178.761 176.117 0.246 0.000 1.091 1027 I CA 1.288 62.647 61.300 0.098 0.000 1.368 1027 I CB -0.447 37.478 38.000 -0.125 0.000 1.058 1027 I HN 0.368 nan 8.210 nan 0.000 0.410 1028 E N 0.641 121.004 120.200 0.272 0.000 2.169 1028 E HA -0.367 3.983 4.350 0.001 0.000 0.202 1028 E C 2.350 179.013 176.600 0.106 0.000 1.016 1028 E CA 2.133 58.638 56.400 0.176 0.000 0.817 1028 E CB -0.216 29.528 29.700 0.074 0.000 0.736 1028 E HN 0.595 nan 8.360 nan 0.000 0.462 1029 C N -0.086 119.281 119.300 0.112 0.000 2.413 1029 C HA -0.162 4.298 4.460 0.001 0.000 0.277 1029 C C 2.643 177.660 174.990 0.043 0.000 1.228 1029 C CA 1.079 60.135 59.018 0.064 0.000 1.731 1029 C CB -1.204 26.622 27.740 0.145 0.000 2.042 1029 C HN 0.592 nan 8.230 nan 0.000 0.468 1030 L N 0.560 121.880 121.223 0.162 0.000 1.989 1030 L HA -0.061 4.280 4.340 0.001 0.000 0.211 1030 L C 2.352 179.274 176.870 0.087 0.000 1.071 1030 L CA 1.973 56.885 54.840 0.120 0.000 0.749 1030 L CB -1.143 41.030 42.059 0.190 0.000 0.890 1030 L HN 0.432 nan 8.230 nan 0.000 0.431 1031 L N -1.359 119.946 121.223 0.137 0.000 2.043 1031 L HA -0.223 4.117 4.340 0.001 0.000 0.212 1031 L C 2.437 179.339 176.870 0.053 0.000 1.075 1031 L CA 2.081 57.000 54.840 0.132 0.000 0.752 1031 L CB -0.928 41.275 42.059 0.240 0.000 0.891 1031 L HN 0.268 nan 8.230 nan 0.000 0.432 1032 S N -0.761 114.954 115.700 0.026 0.000 2.371 1032 S HA -0.157 4.313 4.470 0.001 0.000 0.224 1032 S C 1.914 176.483 174.600 -0.053 0.000 1.029 1032 S CA 1.163 59.351 58.200 -0.021 0.000 0.978 1032 S CB -0.277 62.909 63.200 -0.023 0.000 0.833 1032 S HN 0.471 nan 8.310 nan 0.000 0.466 1033 K N 1.055 121.413 120.400 -0.069 0.000 2.281 1033 K HA -0.065 4.256 4.320 0.001 0.000 0.203 1033 K C 1.717 178.236 176.600 -0.135 0.000 1.046 1033 K CA 0.803 57.011 56.287 -0.132 0.000 0.938 1033 K CB -0.077 32.320 32.500 -0.171 0.000 0.737 1033 K HN 0.154 nan 8.250 nan 0.000 0.458 1034 V N 0.628 120.496 119.914 -0.077 0.000 2.284 1034 V HA -0.076 4.045 4.120 0.001 0.000 0.236 1034 V C 1.878 177.912 176.094 -0.101 0.000 1.044 1034 V CA 1.661 63.914 62.300 -0.079 0.000 1.019 1034 V CB -0.286 31.545 31.823 0.013 0.000 0.657 1034 V HN 0.429 nan 8.190 nan 0.000 0.465 1035 A N -0.421 122.373 122.820 -0.043 0.000 2.292 1035 A HA 0.083 4.403 4.320 0.001 0.000 0.209 1035 A C 1.965 179.512 177.584 -0.062 0.000 1.209 1035 A CA 1.539 53.554 52.037 -0.038 0.000 0.746 1035 A CB -0.630 18.358 19.000 -0.020 0.000 0.764 1035 A HN 0.623 nan 8.150 nan 0.000 0.492 1036 A N -0.999 121.766 122.820 -0.092 0.000 1.997 1036 A HA 0.342 4.662 4.320 0.001 0.000 0.212 1036 A C 1.904 179.425 177.584 -0.104 0.000 1.178 1036 A CA 0.711 52.692 52.037 -0.093 0.000 0.698 1036 A CB -0.135 18.802 19.000 -0.106 0.000 0.842 1036 A HN 0.439 nan 8.150 nan 0.000 0.458 1037 L N -0.086 121.037 121.223 -0.167 0.000 2.145 1037 L HA -0.041 4.299 4.340 0.001 0.000 0.201 1037 L C 2.860 179.664 176.870 -0.110 0.000 1.075 1037 L CA 1.387 56.105 54.840 -0.204 0.000 0.773 1037 L CB -0.271 41.483 42.059 -0.509 0.000 0.936 1037 L HN 0.504 nan 8.230 nan 0.000 0.451 1038 S N -0.274 115.367 115.700 -0.098 0.000 2.436 1038 S HA 0.025 4.495 4.470 0.001 0.000 0.228 1038 S C 1.656 176.271 174.600 0.026 0.000 1.014 1038 S CA 0.555 58.788 58.200 0.054 0.000 0.950 1038 S CB -0.121 63.145 63.200 0.109 0.000 0.784 1038 S HN 0.516 nan 8.310 nan 0.000 0.504 1039 G N 1.584 110.378 108.800 -0.010 0.000 2.160 1039 G HA2 -0.232 3.728 3.960 0.001 0.000 0.251 1039 G HA3 -0.232 3.728 3.960 0.001 0.000 0.251 1039 G C -0.154 174.742 174.900 -0.006 0.000 1.008 1039 G CA 0.172 45.264 45.100 -0.013 0.000 0.724 1039 G HN 0.546 nan 8.290 nan 0.000 0.514 1040 N N 1.020 119.721 118.700 0.001 0.000 2.817 1040 N HA 0.210 4.950 4.740 0.001 0.000 0.234 1040 N C 0.356 175.862 175.510 -0.007 0.000 1.066 1040 N CA -0.236 52.818 53.050 0.006 0.000 0.926 1040 N CB 0.710 39.214 38.487 0.028 0.000 1.176 1040 N HN 0.639 nan 8.380 nan 0.000 0.506 1041 E N 1.410 121.595 120.200 -0.025 0.000 3.506 1041 E HA -0.147 4.204 4.350 0.001 0.000 0.233 1041 E C 0.476 177.055 176.600 -0.035 0.000 0.936 1041 E CA -0.089 56.285 56.400 -0.043 0.000 0.931 1041 E CB -0.089 29.578 29.700 -0.055 0.000 0.864 1041 E HN 0.494 nan 8.360 nan 0.000 0.551 1042 G N 4.242 113.025 108.800 -0.029 0.000 2.562 1042 G HA2 -0.083 3.877 3.960 0.001 0.000 0.233 1042 G HA3 -0.083 3.877 3.960 0.001 0.000 0.233 1042 G C -0.388 174.492 174.900 -0.033 0.000 1.266 1042 G CA -0.169 44.926 45.100 -0.007 0.000 0.852 1042 G HN 0.672 nan 8.290 nan 0.000 0.581 1043 D N 0.014 120.418 120.400 0.006 0.000 2.344 1043 D HA 0.548 5.188 4.640 0.001 0.000 0.239 1043 D C 0.481 176.770 176.300 -0.018 0.000 1.064 1043 D CA -0.164 53.826 54.000 -0.017 0.000 0.829 1043 D CB 1.347 42.168 40.800 0.036 0.000 1.129 1043 D HN 0.370 nan 8.370 nan 0.000 0.506 1044 A N 2.728 125.399 122.820 -0.249 0.000 2.589 1044 A HA 0.288 4.608 4.320 0.001 0.000 0.283 1044 A C 0.615 177.936 177.584 -0.437 0.000 1.187 1044 A CA -0.394 51.177 52.037 -0.777 0.000 0.957 1044 A CB 0.049 18.143 19.000 -1.510 0.000 1.175 1044 A HN 0.440 nan 8.150 nan 0.000 0.532 1045 S N 2.322 117.962 115.700 -0.100 0.000 2.550 1045 S HA 0.168 4.638 4.470 0.001 0.000 0.285 1045 S C -1.475 173.203 174.600 0.129 0.000 1.326 1045 S CA -0.420 57.789 58.200 0.015 0.000 1.037 1045 S CB 0.332 63.594 63.200 0.104 0.000 0.838 1045 S HN 0.348 nan 8.310 nan 0.000 0.519 1046 P HA -0.176 nan 4.420 nan 0.000 0.227 1046 P C -0.221 177.061 177.300 -0.029 0.000 1.188 1046 P CA 0.964 63.964 63.100 -0.166 0.000 0.970 1046 P CB -0.056 31.443 31.700 -0.335 0.000 0.581 1047 F N -0.989 119.087 119.950 0.210 0.000 2.502 1047 F HA 0.411 4.938 4.527 0.001 0.000 0.371 1047 F C 1.222 177.149 175.800 0.212 0.000 1.083 1047 F CA -0.193 57.902 58.000 0.159 0.000 1.174 1047 F CB -1.290 37.750 39.000 0.067 0.000 1.096 1047 F HN 0.128 nan 8.300 nan 0.000 0.545 1048 T N -1.892 112.887 114.554 0.376 0.000 2.618 1048 T HA 0.336 4.687 4.350 0.001 0.000 0.286 1048 T C -0.188 174.655 174.700 0.239 0.000 1.027 1048 T CA -0.867 61.430 62.100 0.328 0.000 1.063 1048 T CB 1.548 70.624 68.868 0.347 0.000 1.440 1048 T HN 0.406 nan 8.240 nan 0.000 0.505 1049 D N 0.421 120.945 120.400 0.208 0.000 2.491 1049 D HA 0.353 4.993 4.640 0.001 0.000 0.228 1049 D C 0.081 176.465 176.300 0.140 0.000 1.183 1049 D CA 0.028 54.120 54.000 0.153 0.000 0.827 1049 D CB 0.137 41.016 40.800 0.131 0.000 0.989 1049 D HN 0.431 nan 8.370 nan 0.000 0.494 1050 I N 0.478 121.144 120.570 0.161 0.000 2.664 1050 I HA 0.207 4.377 4.170 0.001 0.000 0.308 1050 I C 0.618 176.775 176.117 0.066 0.000 0.984 1050 I CA -0.145 61.231 61.300 0.127 0.000 1.213 1050 I CB 1.751 39.857 38.000 0.177 0.000 1.379 1050 I HN -0.197 nan 8.210 nan 0.000 0.501 1051 T N 1.932 116.505 114.554 0.031 0.000 2.865 1051 T HA 0.316 4.667 4.350 0.001 0.000 0.294 1051 T C 0.650 175.324 174.700 -0.043 0.000 1.119 1051 T CA -0.653 61.443 62.100 -0.006 0.000 1.007 1051 T CB 2.047 70.928 68.868 0.023 0.000 1.225 1051 T HN 0.217 nan 8.240 nan 0.000 0.515 1052 V N 0.651 120.531 119.914 -0.056 0.000 2.379 1052 V HA -0.052 4.068 4.120 0.001 0.000 0.243 1052 V C 2.586 178.683 176.094 0.006 0.000 1.035 1052 V CA 1.301 63.572 62.300 -0.049 0.000 1.035 1052 V CB -0.542 31.246 31.823 -0.059 0.000 0.673 1052 V HN 0.807 nan 8.190 nan 0.000 0.457 1053 E N 0.988 121.195 120.200 0.012 0.000 2.085 1053 E HA -0.188 4.162 4.350 0.001 0.000 0.194 1053 E C 2.317 178.938 176.600 0.035 0.000 0.994 1053 E CA 1.572 57.988 56.400 0.026 0.000 0.801 1053 E CB -0.602 29.112 29.700 0.024 0.000 0.743 1053 E HN 0.610 nan 8.360 nan 0.000 0.453 1054 G N 0.633 109.454 108.800 0.035 0.000 2.498 1054 G HA2 -0.184 3.776 3.960 0.001 0.000 0.219 1054 G HA3 -0.184 3.776 3.960 0.001 0.000 0.219 1054 G C 1.608 176.543 174.900 0.058 0.000 1.119 1054 G CA 0.352 45.480 45.100 0.047 0.000 0.766 1054 G HN 0.183 nan 8.290 nan 0.000 0.552 1055 I N -0.221 120.383 120.570 0.057 0.000 3.039 1055 I HA -0.020 4.150 4.170 0.001 0.000 0.270 1055 I C 2.664 178.831 176.117 0.083 0.000 1.150 1055 I CA 0.268 61.613 61.300 0.075 0.000 1.448 1055 I CB 0.037 38.083 38.000 0.075 0.000 1.197 1055 I HN 0.031 nan 8.210 nan 0.000 0.450 1056 S N 1.105 116.851 115.700 0.076 0.000 2.423 1056 S HA -0.226 4.244 4.470 0.001 0.000 0.238 1056 S C 1.877 176.525 174.600 0.081 0.000 1.028 1056 S CA 1.465 59.716 58.200 0.085 0.000 1.000 1056 S CB -0.221 63.023 63.200 0.072 0.000 0.797 1056 S HN 0.350 nan 8.310 nan 0.000 0.487 1057 K N 0.697 121.138 120.400 0.068 0.000 2.057 1057 K HA 0.057 4.378 4.320 0.001 0.000 0.206 1057 K C 1.986 178.632 176.600 0.076 0.000 1.050 1057 K CA 0.953 57.276 56.287 0.060 0.000 0.935 1057 K CB -0.271 32.259 32.500 0.049 0.000 0.715 1057 K HN 0.311 nan 8.250 nan 0.000 0.439 1058 L N 0.572 121.853 121.223 0.096 0.000 2.093 1058 L HA -0.163 4.177 4.340 0.001 0.000 0.208 1058 L C 2.369 179.371 176.870 0.220 0.000 1.085 1058 L CA 0.542 55.464 54.840 0.137 0.000 0.755 1058 L CB -0.309 41.833 42.059 0.137 0.000 0.904 1058 L HN 0.161 nan 8.230 nan 0.000 0.435 1059 L N -0.103 121.230 121.223 0.182 0.000 2.156 1059 L HA -0.123 4.217 4.340 0.001 0.000 0.208 1059 L C 2.642 179.642 176.870 0.215 0.000 1.095 1059 L CA 1.316 56.285 54.840 0.214 0.000 0.770 1059 L CB -0.413 41.738 42.059 0.153 0.000 0.914 1059 L HN 0.065 nan 8.230 nan 0.000 0.439 1060 R N 0.391 120.975 120.500 0.139 0.000 2.092 1060 R HA -0.111 4.229 4.340 0.001 0.000 0.231 1060 R C 2.010 178.345 176.300 0.059 0.000 1.119 1060 R CA 1.498 57.654 56.100 0.093 0.000 0.970 1060 R CB -0.510 29.825 30.300 0.059 0.000 0.864 1060 R HN 0.467 nan 8.270 nan 0.000 0.440 1061 E N -0.858 119.367 120.200 0.041 0.000 2.396 1061 E HA -0.181 4.169 4.350 0.001 0.000 0.200 1061 E C 0.905 177.408 176.600 -0.160 0.000 1.023 1061 E CA 0.732 57.095 56.400 -0.062 0.000 0.857 1061 E CB -0.042 29.601 29.700 -0.094 0.000 0.775 1061 E HN 0.526 nan 8.360 nan 0.000 0.525 1062 H N -1.917 117.167 119.070 0.023 0.000 2.622 1062 H HA 0.142 4.699 4.556 0.001 0.000 0.269 1062 H C 1.467 176.728 175.328 -0.112 0.000 0.977 1062 H CA 0.868 56.921 56.048 0.009 0.000 1.179 1062 H CB 1.551 31.377 29.762 0.106 0.000 1.458 1062 H HN 0.345 nan 8.280 nan 0.000 0.531 1063 G N 0.460 109.245 108.800 -0.026 0.000 2.284 1063 G HA2 -0.244 3.716 3.960 0.001 0.000 0.216 1063 G HA3 -0.244 3.716 3.960 0.001 0.000 0.216 1063 G C -0.251 174.526 174.900 -0.206 0.000 1.009 1063 G CA -0.281 44.712 45.100 -0.180 0.000 0.625 1063 G HN 0.317 nan 8.290 nan 0.000 0.501 1064 Y N 1.613 121.943 120.300 0.050 0.000 2.310 1064 Y HA 0.553 5.104 4.550 0.001 0.000 0.326 1064 Y C 0.903 176.830 175.900 0.045 0.000 1.151 1064 Y CA -0.317 57.801 58.100 0.031 0.000 1.195 1064 Y CB 0.920 39.382 38.460 0.003 0.000 1.210 1064 Y HN 0.380 nan 8.280 nan 0.000 0.483 1065 Q N 1.460 121.381 119.800 0.201 0.000 2.431 1065 Q HA -0.134 4.207 4.340 0.001 0.000 0.349 1065 Q C 1.026 177.118 176.000 0.154 0.000 1.119 1065 Q CA 0.829 56.715 55.803 0.139 0.000 1.065 1065 Q CB 0.734 29.555 28.738 0.139 0.000 1.149 1065 Q HN 0.801 nan 8.270 nan 0.000 0.403 1066 S N 3.338 119.104 115.700 0.109 0.000 2.507 1066 S HA -0.069 4.401 4.470 0.001 0.000 0.235 1066 S C 0.940 175.628 174.600 0.148 0.000 0.988 1066 S CA 0.703 58.971 58.200 0.113 0.000 0.944 1066 S CB 0.044 63.288 63.200 0.073 0.000 0.762 1066 S HN 0.690 nan 8.310 nan 0.000 0.526 1067 R N 0.271 120.887 120.500 0.195 0.000 2.308 1067 R HA 0.398 4.738 4.340 0.001 0.000 0.202 1067 R C 1.850 178.476 176.300 0.544 0.000 0.898 1067 R CA 0.658 56.956 56.100 0.330 0.000 1.046 1067 R CB -0.481 29.979 30.300 0.267 0.000 1.026 1067 R HN 0.580 nan 8.270 nan 0.000 0.512 1068 G N 0.418 109.464 108.800 0.411 0.000 2.561 1068 G HA2 -0.255 3.705 3.960 0.001 0.000 0.203 1068 G HA3 -0.255 3.705 3.960 0.001 0.000 0.203 1068 G C 0.163 175.208 174.900 0.241 0.000 1.101 1068 G CA -0.339 44.892 45.100 0.219 0.000 0.711 1068 G HN 0.098 nan 8.290 nan 0.000 0.511 1069 F N 2.287 122.328 119.950 0.152 0.000 2.670 1069 F HA 0.416 4.943 4.527 0.001 0.000 0.325 1069 F C 1.235 177.080 175.800 0.075 0.000 1.125 1069 F CA 1.014 59.091 58.000 0.129 0.000 1.345 1069 F CB 0.133 39.208 39.000 0.125 0.000 1.019 1069 F HN 0.419 nan 8.300 nan 0.000 0.640 1070 E N -1.138 119.224 120.200 0.270 0.000 2.423 1070 E HA 0.466 4.817 4.350 0.001 0.000 0.280 1070 E C -1.675 175.004 176.600 0.131 0.000 1.030 1070 E CA -0.981 55.519 56.400 0.167 0.000 0.812 1070 E CB 2.225 31.974 29.700 0.080 0.000 1.313 1070 E HN 0.197 nan 8.360 nan 0.000 0.456 1071 V N 1.312 121.277 119.914 0.085 0.000 2.686 1071 V HA 0.484 4.604 4.120 0.001 0.000 0.295 1071 V C 0.149 176.228 176.094 -0.025 0.000 1.057 1071 V CA -0.047 62.246 62.300 -0.011 0.000 1.012 1071 V CB 0.740 32.536 31.823 -0.045 0.000 1.006 1071 V HN 0.591 nan 8.190 nan 0.000 0.477 1072 M N 2.719 122.212 119.600 -0.178 0.000 2.520 1072 M HA 0.524 5.005 4.480 0.001 0.000 0.283 1072 M C -2.022 174.035 176.300 -0.404 0.000 1.237 1072 M CA -0.501 54.721 55.300 -0.130 0.000 0.885 1072 M CB 3.034 35.605 32.600 -0.048 0.000 1.727 1072 M HN 0.585 nan 8.290 nan 0.000 0.468 1073 Y N 0.691 120.764 120.300 -0.377 0.000 2.352 1073 Y HA 0.310 4.860 4.550 0.001 0.000 0.339 1073 Y C 0.379 175.873 175.900 -0.678 0.000 0.992 1073 Y CA -1.236 56.568 58.100 -0.494 0.000 1.100 1073 Y CB 0.777 38.981 38.460 -0.427 0.000 1.192 1073 Y HN 0.539 nan 8.280 nan 0.000 0.458 1074 N N 2.234 120.810 118.700 -0.208 0.000 2.418 1074 N HA -0.075 4.665 4.740 0.001 0.000 0.277 1074 N C 1.245 176.648 175.510 -0.178 0.000 1.317 1074 N CA 0.886 53.852 53.050 -0.141 0.000 0.922 1074 N CB 1.007 39.466 38.487 -0.047 0.000 1.194 1074 N HN 1.067 nan 8.380 nan 0.000 0.485 1075 G N 3.617 112.288 108.800 -0.215 0.000 2.550 1075 G HA2 -0.308 3.653 3.960 0.001 0.000 0.222 1075 G HA3 -0.308 3.653 3.960 0.001 0.000 0.222 1075 G C 1.122 176.076 174.900 0.089 0.000 1.113 1075 G CA 0.950 46.014 45.100 -0.061 0.000 0.748 1075 G HN 0.737 nan 8.290 nan 0.000 0.585 1076 H N 0.568 119.649 119.070 0.019 0.000 2.326 1076 H HA -0.038 4.518 4.556 0.001 0.000 0.301 1076 H C 2.937 178.286 175.328 0.035 0.000 1.081 1076 H CA 1.954 58.007 56.048 0.009 0.000 1.334 1076 H CB -0.894 28.843 29.762 -0.042 0.000 1.385 1076 H HN 0.518 nan 8.280 nan 0.000 0.504 1077 T N -3.408 111.238 114.554 0.153 0.000 2.925 1077 T HA 0.303 4.653 4.350 0.001 0.000 0.245 1077 T C 1.796 176.572 174.700 0.126 0.000 1.025 1077 T CA 0.892 63.061 62.100 0.115 0.000 1.149 1077 T CB -0.119 68.801 68.868 0.087 0.000 0.866 1077 T HN 0.514 nan 8.240 nan 0.000 0.437 1078 G N 1.491 110.364 108.800 0.121 0.000 2.154 1078 G HA2 -0.173 3.787 3.960 0.001 0.000 0.186 1078 G HA3 -0.173 3.787 3.960 0.001 0.000 0.186 1078 G C -0.054 174.983 174.900 0.229 0.000 1.000 1078 G CA 0.072 45.286 45.100 0.190 0.000 0.664 1078 G HN 0.800 nan 8.290 nan 0.000 0.513 1079 K N 0.917 121.413 120.400 0.160 0.000 2.138 1079 K HA 0.536 4.857 4.320 0.001 0.000 0.251 1079 K C 0.737 177.429 176.600 0.153 0.000 1.015 1079 K CA -0.532 55.857 56.287 0.170 0.000 0.917 1079 K CB 0.442 32.993 32.500 0.085 0.000 1.021 1079 K HN 0.160 nan 8.250 nan 0.000 0.485 1080 K N 1.676 122.114 120.400 0.063 0.000 2.180 1080 K HA 0.167 4.488 4.320 0.001 0.000 0.251 1080 K C -0.382 176.113 176.600 -0.175 0.000 1.014 1080 K CA -0.287 55.839 56.287 -0.268 0.000 0.913 1080 K CB 0.464 32.786 32.500 -0.295 0.000 1.008 1080 K HN 0.427 nan 8.250 nan 0.000 0.490 1081 L N 3.621 124.703 121.223 -0.235 0.000 2.259 1081 L HA 0.105 4.445 4.340 0.001 0.000 0.288 1081 L C 1.365 178.180 176.870 -0.092 0.000 1.051 1081 L CA -0.506 54.258 54.840 -0.126 0.000 0.824 1081 L CB 0.913 42.896 42.059 -0.127 0.000 1.206 1081 L HN 0.760 nan 8.230 nan 0.000 0.429 1082 M N 3.309 122.878 119.600 -0.052 0.000 2.186 1082 M HA -0.267 4.214 4.480 0.001 0.000 0.249 1082 M C 0.890 177.178 176.300 -0.019 0.000 1.081 1082 M CA 2.167 57.450 55.300 -0.029 0.000 1.072 1082 M CB -0.148 32.446 32.600 -0.009 0.000 1.318 1082 M HN 0.649 nan 8.290 nan 0.000 0.405 1083 A N -1.152 121.664 122.820 -0.007 0.000 2.261 1083 A HA 0.649 4.969 4.320 0.001 0.000 0.323 1083 A C -0.415 177.189 177.584 0.035 0.000 1.107 1083 A CA -0.753 51.300 52.037 0.026 0.000 0.883 1083 A CB 0.578 19.603 19.000 0.042 0.000 1.251 1083 A HN 0.461 nan 8.150 nan 0.000 0.502 1084 Q N -0.907 118.962 119.800 0.116 0.000 2.241 1084 Q HA 0.709 5.050 4.340 0.001 0.000 0.262 1084 Q C -1.389 174.702 176.000 0.152 0.000 1.014 1084 Q CA -0.180 55.722 55.803 0.165 0.000 0.885 1084 Q CB 1.551 30.464 28.738 0.292 0.000 1.311 1084 Q HN 0.529 nan 8.270 nan 0.000 0.461 1085 I N 0.690 121.314 120.570 0.089 0.000 2.509 1085 I HA 0.274 4.445 4.170 0.001 0.000 0.293 1085 I C -0.883 175.186 176.117 -0.080 0.000 1.020 1085 I CA -0.668 60.614 61.300 -0.030 0.000 1.088 1085 I CB 1.137 39.104 38.000 -0.056 0.000 1.267 1085 I HN 0.501 nan 8.210 nan 0.000 0.430 1086 F N 6.851 126.547 119.950 -0.423 0.000 2.512 1086 F HA 0.288 4.815 4.527 0.001 0.000 0.350 1086 F C -0.644 175.091 175.800 -0.107 0.000 1.212 1086 F CA -0.051 57.697 58.000 -0.420 0.000 1.099 1086 F CB -0.289 38.411 39.000 -0.500 0.000 1.238 1086 F HN 0.265 nan 8.300 nan 0.000 0.600 1087 F N 4.307 123.962 119.950 -0.491 0.000 2.458 1087 F HA 0.745 5.272 4.527 0.001 0.000 0.330 1087 F C 0.327 175.824 175.800 -0.504 0.000 1.082 1087 F CA -0.094 57.671 58.000 -0.392 0.000 0.995 1087 F CB 1.508 40.370 39.000 -0.230 0.000 1.170 1087 F HN 0.619 nan 8.300 nan 0.000 0.478 1088 G N 4.312 113.284 108.800 0.287 0.000 2.337 1088 G HA2 0.121 4.081 3.960 0.001 0.000 0.310 1088 G HA3 0.121 4.081 3.960 0.001 0.000 0.310 1088 G C -3.392 171.506 174.900 -0.005 0.000 1.534 1088 G CA -1.203 43.890 45.100 -0.012 0.000 0.982 1088 G HN 0.410 nan 8.290 nan 0.000 0.672 1089 P HA 0.443 nan 4.420 nan 0.000 0.269 1089 P C -0.320 176.995 177.300 0.024 0.000 1.217 1089 P CA 0.454 63.567 63.100 0.021 0.000 0.783 1089 P CB 1.101 32.801 31.700 -0.001 0.000 0.898 1090 T N 0.560 115.163 114.554 0.081 0.000 3.047 1090 T HA 0.162 4.513 4.350 0.001 0.000 0.340 1090 T C -1.334 173.479 174.700 0.188 0.000 1.421 1090 T CA -0.266 61.873 62.100 0.065 0.000 1.090 1090 T CB 0.469 69.337 68.868 -0.000 0.000 1.292 1090 T HN 0.221 nan 8.240 nan 0.000 0.480 1091 Y N 2.273 122.550 120.300 -0.039 0.000 2.346 1091 Y HA 0.561 5.111 4.550 0.001 0.000 0.330 1091 Y C -1.077 174.801 175.900 -0.036 0.000 1.178 1091 Y CA -0.817 57.292 58.100 0.015 0.000 1.331 1091 Y CB 0.390 38.854 38.460 0.006 0.000 1.253 1091 Y HN 0.642 nan 8.280 nan 0.000 0.529 1092 Y N 3.666 123.901 120.300 -0.108 0.000 2.396 1092 Y HA 0.315 4.865 4.550 0.001 0.000 0.332 1092 Y C -0.550 175.278 175.900 -0.119 0.000 1.034 1092 Y CA -0.931 57.144 58.100 -0.043 0.000 1.057 1092 Y CB 1.663 40.189 38.460 0.110 0.000 1.220 1092 Y HN 0.507 nan 8.280 nan 0.000 0.440 1093 Q N 3.173 122.994 119.800 0.036 0.000 2.235 1093 Q HA 0.404 4.745 4.340 0.001 0.000 0.250 1093 Q C -0.503 175.597 176.000 0.168 0.000 0.909 1093 Q CA -0.908 54.919 55.803 0.040 0.000 0.910 1093 Q CB 1.724 30.460 28.738 -0.004 0.000 1.223 1093 Q HN 0.477 nan 8.270 nan 0.000 0.432 1094 R N 3.126 123.730 120.500 0.174 0.000 2.233 1094 R HA 0.242 4.583 4.340 0.001 0.000 0.334 1094 R C -1.246 175.069 176.300 0.026 0.000 1.037 1094 R CA -0.549 55.677 56.100 0.211 0.000 0.920 1094 R CB -0.033 30.410 30.300 0.237 0.000 1.137 1094 R HN 0.413 nan 8.270 nan 0.000 0.492 1095 L N 3.216 124.403 121.223 -0.060 0.000 2.395 1095 L HA 0.476 4.816 4.340 0.001 0.000 0.269 1095 L C 0.897 177.631 176.870 -0.226 0.000 1.133 1095 L CA -0.674 54.089 54.840 -0.129 0.000 0.812 1095 L CB 0.342 42.342 42.059 -0.098 0.000 1.125 1095 L HN 0.573 nan 8.230 nan 0.000 0.452 1096 R N 0.138 120.470 120.500 -0.279 0.000 3.064 1096 R HA 0.182 4.522 4.340 0.001 0.000 0.280 1096 R C -0.613 175.521 176.300 -0.276 0.000 1.182 1096 R CA -0.459 55.429 56.100 -0.353 0.000 1.155 1096 R CB -0.154 29.853 30.300 -0.488 0.000 1.112 1096 R HN 0.740 nan 8.270 nan 0.000 0.564 1097 H N -1.158 117.743 119.070 -0.283 0.000 3.286 1097 H HA -0.076 4.481 4.556 0.001 0.000 0.372 1097 H C -0.912 174.268 175.328 -0.247 0.000 1.304 1097 H CA 0.445 56.348 56.048 -0.242 0.000 1.285 1097 H CB -1.507 28.124 29.762 -0.218 0.000 1.529 1097 H HN 0.544 nan 8.280 nan 0.000 0.449 1098 M N -0.374 119.148 119.600 -0.130 0.000 2.369 1098 M HA 0.299 4.779 4.480 0.001 0.000 0.291 1098 M C 1.881 178.109 176.300 -0.121 0.000 1.178 1098 M CA -0.494 54.704 55.300 -0.170 0.000 0.996 1098 M CB 0.925 33.414 32.600 -0.185 0.000 1.472 1098 M HN 0.092 nan 8.290 nan 0.000 0.496 1099 V N 0.646 120.488 119.914 -0.120 0.000 2.216 1099 V HA -0.233 3.888 4.120 0.001 0.000 0.243 1099 V C 1.025 177.083 176.094 -0.060 0.000 1.044 1099 V CA 2.066 64.314 62.300 -0.088 0.000 0.995 1099 V CB -0.298 31.476 31.823 -0.082 0.000 0.633 1099 V HN 0.845 nan 8.190 nan 0.000 0.446 1100 D N 0.432 120.802 120.400 -0.050 0.000 2.429 1100 D HA -0.106 4.534 4.640 0.001 0.000 0.237 1100 D C 0.867 177.156 176.300 -0.018 0.000 1.045 1100 D CA 0.741 54.725 54.000 -0.027 0.000 0.974 1100 D CB -0.267 40.520 40.800 -0.021 0.000 0.871 1100 D HN 0.530 nan 8.370 nan 0.000 0.525 1101 D N -1.132 119.250 120.400 -0.030 0.000 2.433 1101 D HA 0.103 4.743 4.640 0.001 0.000 0.211 1101 D C 1.401 177.686 176.300 -0.026 0.000 1.114 1101 D CA 0.109 54.096 54.000 -0.021 0.000 0.837 1101 D CB 0.662 41.439 40.800 -0.038 0.000 0.984 1101 D HN 0.195 nan 8.370 nan 0.000 0.505 1102 K N -0.382 120.001 120.400 -0.028 0.000 2.493 1102 K HA 0.164 4.485 4.320 0.001 0.000 0.201 1102 K C 0.317 176.928 176.600 0.019 0.000 1.355 1102 K CA -0.499 55.773 56.287 -0.024 0.000 0.953 1102 K CB 1.239 33.706 32.500 -0.055 0.000 1.316 1102 K HN -0.142 nan 8.250 nan 0.000 0.522 1103 I N 3.122 123.699 120.570 0.011 0.000 3.076 1103 I HA -0.193 3.977 4.170 0.001 0.000 0.321 1103 I C -0.244 175.938 176.117 0.108 0.000 1.216 1103 I CA 1.279 62.597 61.300 0.031 0.000 1.460 1103 I CB -0.379 37.626 38.000 0.009 0.000 1.313 1103 I HN 0.222 nan 8.210 nan 0.000 0.546 1104 H N 5.661 124.713 119.070 -0.030 0.000 3.099 1104 H HA 0.778 5.334 4.556 0.001 0.000 0.342 1104 H C -1.540 173.776 175.328 -0.020 0.000 1.054 1104 H CA -0.494 55.539 56.048 -0.024 0.000 1.328 1104 H CB 1.107 30.854 29.762 -0.025 0.000 1.876 1104 H HN 0.657 nan 8.280 nan 0.000 0.495 1105 A N 4.642 127.347 122.820 -0.191 0.000 2.498 1105 A HA 0.878 5.198 4.320 0.001 0.000 0.298 1105 A C -1.119 176.339 177.584 -0.210 0.000 1.075 1105 A CA -0.718 51.148 52.037 -0.286 0.000 0.714 1105 A CB 1.766 20.701 19.000 -0.108 0.000 1.299 1105 A HN 0.887 nan 8.150 nan 0.000 0.407 1106 R N 0.331 120.718 120.500 -0.187 0.000 2.561 1106 R HA 0.642 4.982 4.340 0.001 0.000 0.266 1106 R C -1.817 174.449 176.300 -0.056 0.000 1.091 1106 R CA 0.040 56.096 56.100 -0.073 0.000 0.927 1106 R CB 1.622 31.906 30.300 -0.027 0.000 1.240 1106 R HN 1.564 nan 8.270 nan 0.000 0.449 1107 A N 5.397 128.199 122.820 -0.030 0.000 2.605 1107 A HA 0.522 4.842 4.320 0.001 0.000 0.293 1107 A C -0.640 176.933 177.584 -0.017 0.000 1.216 1107 A CA -0.347 51.675 52.037 -0.025 0.000 0.742 1107 A CB 0.554 19.540 19.000 -0.024 0.000 1.170 1107 A HN 1.072 nan 8.150 nan 0.000 0.443 1108 R N 0.530 121.021 120.500 -0.016 0.000 1.138 1108 R HA 0.029 4.370 4.340 0.001 0.000 0.413 1108 R C 0.011 176.306 176.300 -0.009 0.000 1.362 1108 R CA 1.191 57.283 56.100 -0.014 0.000 1.394 1108 R CB -1.202 29.089 30.300 -0.016 0.000 3.813 1108 R HN 2.296 nan 8.270 nan 0.000 0.482 1109 G N 1.724 110.519 108.800 -0.009 0.000 2.539 1109 G HA2 0.397 4.358 3.960 0.001 0.000 0.138 1109 G HA3 0.397 4.358 3.960 0.001 0.000 0.138 1109 G C -2.878 172.015 174.900 -0.010 0.000 1.148 1109 G CA -0.378 44.718 45.100 -0.006 0.000 1.057 1109 G HN 0.718 nan 8.290 nan 0.000 0.511 1110 P HA 0.279 nan 4.420 nan 0.000 0.262 1110 P C -0.814 176.472 177.300 -0.024 0.000 1.182 1110 P CA 0.507 63.599 63.100 -0.013 0.000 0.761 1110 P CB 0.607 32.303 31.700 -0.007 0.000 0.795 1111 M N 1.964 121.541 119.600 -0.039 0.000 2.383 1111 M HA 0.296 4.776 4.480 0.001 0.000 0.325 1111 M C 0.561 176.816 176.300 -0.075 0.000 1.092 1111 M CA -0.979 54.284 55.300 -0.063 0.000 0.961 1111 M CB 1.641 34.191 32.600 -0.083 0.000 1.672 1111 M HN 0.453 nan 8.290 nan 0.000 0.438 1112 Q N 0.793 120.543 119.800 -0.083 0.000 2.726 1112 Q HA 0.084 4.424 4.340 0.001 0.000 0.242 1112 Q C 0.410 176.339 176.000 -0.118 0.000 1.130 1112 Q CA 0.336 56.088 55.803 -0.085 0.000 1.031 1112 Q CB 0.860 29.547 28.738 -0.084 0.000 1.326 1112 Q HN 0.601 nan 8.270 nan 0.000 0.572 1113 V N 1.341 121.193 119.914 -0.102 0.000 3.048 1113 V HA -0.067 4.053 4.120 0.001 0.000 0.241 1113 V C 1.477 177.486 176.094 -0.141 0.000 1.129 1113 V CA 0.609 62.839 62.300 -0.117 0.000 1.128 1113 V CB -0.286 31.496 31.823 -0.069 0.000 0.849 1113 V HN 0.742 nan 8.190 nan 0.000 0.475 1114 L N 0.552 121.714 121.223 -0.101 0.000 2.023 1114 L HA -0.058 4.282 4.340 0.001 0.000 0.205 1114 L C 2.268 179.062 176.870 -0.126 0.000 1.073 1114 L CA 2.570 57.365 54.840 -0.074 0.000 0.745 1114 L CB -0.956 41.084 42.059 -0.032 0.000 0.900 1114 L HN 0.304 nan 8.230 nan 0.000 0.435 1115 T N -0.744 113.721 114.554 -0.147 0.000 2.937 1115 T HA 0.051 4.401 4.350 0.001 0.000 0.260 1115 T C 0.655 175.127 174.700 -0.380 0.000 1.051 1115 T CA 0.512 62.511 62.100 -0.169 0.000 1.141 1115 T CB -0.004 68.811 68.868 -0.089 0.000 0.879 1115 T HN 0.345 nan 8.240 nan 0.000 0.459 1116 R N 0.737 121.012 120.500 -0.373 0.000 3.644 1116 R HA -0.108 4.233 4.340 0.001 0.000 0.308 1116 R C -0.430 175.731 176.300 -0.231 0.000 1.161 1116 R CA 0.310 56.165 56.100 -0.409 0.000 0.819 1116 R CB -1.964 27.859 30.300 -0.795 0.000 1.363 1116 R HN 0.503 nan 8.270 nan 0.000 0.479 1117 Q N -0.086 119.624 119.800 -0.149 0.000 2.297 1117 Q HA 0.461 4.802 4.340 0.001 0.000 0.269 1117 Q C -2.429 173.532 176.000 -0.066 0.000 1.051 1117 Q CA -2.206 53.546 55.803 -0.084 0.000 0.869 1117 Q CB 1.632 30.336 28.738 -0.056 0.000 1.346 1117 Q HN -0.147 nan 8.270 nan 0.000 0.457 1118 P HA -0.096 nan 4.420 nan 0.000 0.267 1118 P C -0.658 176.631 177.300 -0.019 0.000 1.200 1118 P CA 0.016 63.102 63.100 -0.024 0.000 0.772 1118 P CB 0.383 32.078 31.700 -0.007 0.000 0.855 1119 V N 0.291 120.197 119.914 -0.013 0.000 3.385 1119 V HA 0.300 4.421 4.120 0.001 0.000 0.301 1119 V C 0.175 176.271 176.094 0.002 0.000 1.082 1119 V CA -0.344 61.949 62.300 -0.012 0.000 1.085 1119 V CB 0.688 32.503 31.823 -0.014 0.000 1.152 1119 V HN 0.577 nan 8.190 nan 0.000 0.465 1120 E N 0.989 121.186 120.200 -0.005 0.000 2.222 1120 E HA 0.589 4.940 4.350 0.001 0.000 0.272 1120 E C 0.024 176.614 176.600 -0.016 0.000 0.982 1120 E CA -0.018 56.381 56.400 -0.002 0.000 0.842 1120 E CB 1.380 31.075 29.700 -0.008 0.000 1.144 1120 E HN 2.037 nan 8.360 nan 0.000 0.397 1121 G N 2.437 111.223 108.800 -0.024 0.000 2.777 1121 G HA2 -0.256 3.704 3.960 0.001 0.000 0.686 1121 G HA3 -0.256 3.704 3.960 0.001 0.000 0.686 1121 G C 0.231 175.027 174.900 -0.174 0.000 1.177 1121 G CA 0.084 45.140 45.100 -0.074 0.000 0.775 1121 G HN 0.812 nan 8.290 nan 0.000 0.613 1122 R N 0.297 120.603 120.500 -0.324 0.000 2.189 1122 R HA 0.029 4.370 4.340 0.001 0.000 0.218 1122 R C 2.603 178.696 176.300 -0.346 0.000 1.074 1122 R CA 2.234 57.912 56.100 -0.703 0.000 0.991 1122 R CB -0.298 29.558 30.300 -0.739 0.000 0.883 1122 R HN 1.000 nan 8.270 nan 0.000 0.457 1123 S N 0.696 116.286 115.700 -0.184 0.000 2.382 1123 S HA -0.100 4.371 4.470 0.001 0.000 0.228 1123 S C 1.822 176.381 174.600 -0.069 0.000 1.027 1123 S CA 0.860 59.002 58.200 -0.097 0.000 0.991 1123 S CB -0.172 62.994 63.200 -0.056 0.000 0.823 1123 S HN 0.434 nan 8.310 nan 0.000 0.469 1124 R N 0.631 121.091 120.500 -0.066 0.000 2.359 1124 R HA 0.184 4.525 4.340 0.001 0.000 0.231 1124 R C 0.079 176.364 176.300 -0.025 0.000 0.913 1124 R CA 0.510 56.589 56.100 -0.035 0.000 1.075 1124 R CB 0.027 30.312 30.300 -0.024 0.000 1.087 1124 R HN 0.367 nan 8.270 nan 0.000 0.515 1125 D N -1.318 119.059 120.400 -0.037 0.000 2.981 1125 D HA -0.116 4.524 4.640 0.001 0.000 0.203 1125 D C 0.415 176.765 176.300 0.084 0.000 1.049 1125 D CA 1.068 55.082 54.000 0.023 0.000 1.003 1125 D CB -1.031 39.779 40.800 0.017 0.000 1.085 1125 D HN 0.397 nan 8.370 nan 0.000 0.432 1126 G N -0.065 108.762 108.800 0.045 0.000 2.846 1126 G HA2 0.393 4.354 3.960 0.001 0.000 0.257 1126 G HA3 0.393 4.354 3.960 0.001 0.000 0.257 1126 G C 0.683 175.690 174.900 0.178 0.000 1.253 1126 G CA 0.428 45.576 45.100 0.080 0.000 0.918 1126 G HN 0.384 nan 8.290 nan 0.000 0.597 1127 G N -1.745 107.120 108.800 0.110 0.000 2.552 1127 G HA2 0.567 4.527 3.960 0.001 0.000 0.324 1127 G HA3 0.567 4.527 3.960 0.001 0.000 0.324 1127 G C -0.293 174.663 174.900 0.093 0.000 1.217 1127 G CA -0.966 44.183 45.100 0.082 0.000 0.989 1127 G HN 0.574 nan 8.290 nan 0.000 0.490 1128 L N -0.769 120.481 121.223 0.045 0.000 2.448 1128 L HA 0.569 4.909 4.340 0.001 0.000 0.258 1128 L C 0.652 177.556 176.870 0.056 0.000 1.104 1128 L CA -0.943 53.926 54.840 0.048 0.000 0.800 1128 L CB 1.207 43.273 42.059 0.012 0.000 1.241 1128 L HN 0.430 nan 8.230 nan 0.000 0.472 1129 R N 0.296 120.824 120.500 0.045 0.000 2.349 1129 R HA 0.300 4.640 4.340 0.001 0.000 0.299 1129 R C -1.296 175.043 176.300 0.065 0.000 1.027 1129 R CA -0.016 56.112 56.100 0.047 0.000 0.958 1129 R CB 0.590 30.893 30.300 0.005 0.000 1.047 1129 R HN 0.409 nan 8.270 nan 0.000 0.468 1130 F N 4.351 124.282 119.950 -0.032 0.000 2.550 1130 F HA 0.491 5.018 4.527 0.001 0.000 0.348 1130 F C 0.034 175.809 175.800 -0.042 0.000 1.219 1130 F CA -0.380 57.596 58.000 -0.041 0.000 1.203 1130 F CB 0.887 39.846 39.000 -0.068 0.000 1.436 1130 F HN 0.676 nan 8.300 nan 0.000 0.541 1131 G N 2.003 110.729 108.800 -0.125 0.000 2.537 1131 G HA2 0.184 4.145 3.960 0.001 0.000 0.297 1131 G HA3 0.184 4.145 3.960 0.001 0.000 0.297 1131 G C 0.602 175.448 174.900 -0.091 0.000 1.310 1131 G CA -0.355 44.710 45.100 -0.058 0.000 1.027 1131 G HN 0.519 nan 8.290 nan 0.000 0.505 1132 E N -0.725 119.449 120.200 -0.043 0.000 2.110 1132 E HA -0.331 4.019 4.350 0.001 0.000 0.225 1132 E C 2.610 179.166 176.600 -0.072 0.000 1.063 1132 E CA 2.274 58.652 56.400 -0.036 0.000 0.906 1132 E CB -0.282 29.399 29.700 -0.031 0.000 0.795 1132 E HN 0.494 nan 8.360 nan 0.000 0.479 1133 M N 0.142 119.685 119.600 -0.095 0.000 2.089 1133 M HA -0.246 4.235 4.480 0.001 0.000 0.257 1133 M C 2.144 178.349 176.300 -0.157 0.000 1.071 1133 M CA 1.777 57.013 55.300 -0.107 0.000 1.096 1133 M CB -0.653 31.886 32.600 -0.102 0.000 1.330 1133 M HN 0.035 nan 8.290 nan 0.000 0.403 1134 E N -0.288 119.736 120.200 -0.293 0.000 2.268 1134 E HA -0.103 4.247 4.350 0.001 0.000 0.195 1134 E C 1.988 178.350 176.600 -0.398 0.000 0.995 1134 E CA 0.724 56.828 56.400 -0.493 0.000 0.836 1134 E CB -0.243 28.868 29.700 -0.982 0.000 0.763 1134 E HN 0.379 nan 8.360 nan 0.000 0.491 1135 R N 0.862 121.253 120.500 -0.182 0.000 2.052 1135 R HA -0.126 4.214 4.340 0.001 0.000 0.226 1135 R C 1.025 177.367 176.300 0.070 0.000 1.145 1135 R CA 1.592 57.767 56.100 0.125 0.000 0.952 1135 R CB -0.144 30.235 30.300 0.131 0.000 0.847 1135 R HN 0.051 nan 8.270 nan 0.000 0.431 1136 D N 0.138 120.543 120.400 0.008 0.000 2.292 1136 D HA -0.202 4.439 4.640 0.001 0.000 0.205 1136 D C 1.728 178.030 176.300 0.004 0.000 0.994 1136 D CA 1.204 55.204 54.000 0.001 0.000 0.897 1136 D CB -0.268 40.517 40.800 -0.025 0.000 0.907 1136 D HN 0.321 nan 8.370 nan 0.000 0.467 1137 C N -0.309 118.999 119.300 0.013 0.000 2.507 1137 C HA 0.087 4.547 4.460 0.001 0.000 0.280 1137 C C 2.468 177.541 174.990 0.137 0.000 1.345 1137 C CA -0.126 58.907 59.018 0.025 0.000 1.736 1137 C CB -0.407 27.357 27.740 0.040 0.000 2.060 1137 C HN 0.313 nan 8.230 nan 0.000 0.498 1138 M N 1.038 120.772 119.600 0.223 0.000 2.229 1138 M HA -0.016 4.464 4.480 0.001 0.000 0.264 1138 M C 1.898 178.319 176.300 0.202 0.000 1.063 1138 M CA 1.428 56.911 55.300 0.305 0.000 1.114 1138 M CB -1.262 31.532 32.600 0.323 0.000 1.387 1138 M HN 0.362 nan 8.290 nan 0.000 0.420 1139 I N -0.067 120.576 120.570 0.122 0.000 2.252 1139 I HA -0.245 3.925 4.170 0.001 0.000 0.245 1139 I C 2.586 178.738 176.117 0.058 0.000 1.102 1139 I CA 1.030 62.377 61.300 0.077 0.000 1.385 1139 I CB -0.731 37.296 38.000 0.046 0.000 1.064 1139 I HN 0.209 nan 8.210 nan 0.000 0.414 1140 A N 0.675 123.508 122.820 0.023 0.000 1.849 1140 A HA -0.290 4.031 4.320 0.001 0.000 0.217 1140 A C 2.224 179.795 177.584 -0.022 0.000 1.202 1140 A CA 1.854 53.866 52.037 -0.042 0.000 0.629 1140 A CB -1.222 17.700 19.000 -0.131 0.000 0.834 1140 A HN 0.420 nan 8.150 nan 0.000 0.447 1141 H N -0.847 118.252 119.070 0.047 0.000 2.460 1141 H HA -0.070 4.486 4.556 0.001 0.000 0.297 1141 H C 1.734 177.090 175.328 0.047 0.000 1.103 1141 H CA 1.363 57.440 56.048 0.049 0.000 1.292 1141 H CB -0.523 29.284 29.762 0.074 0.000 1.376 1141 H HN 0.807 nan 8.280 nan 0.000 0.531 1142 G N -0.281 108.619 108.800 0.166 0.000 2.182 1142 G HA2 -0.218 3.743 3.960 0.001 0.000 0.248 1142 G HA3 -0.218 3.743 3.960 0.001 0.000 0.248 1142 G C 0.513 175.485 174.900 0.119 0.000 1.042 1142 G CA 0.424 45.589 45.100 0.110 0.000 0.775 1142 G HN 0.699 nan 8.290 nan 0.000 0.501 1143 A N -0.189 122.729 122.820 0.164 0.000 3.168 1143 A HA 0.838 5.159 4.320 0.001 0.000 0.260 1143 A C 1.898 179.567 177.584 0.142 0.000 1.598 1143 A CA 0.988 53.121 52.037 0.159 0.000 1.285 1143 A CB -0.491 18.641 19.000 0.220 0.000 1.149 1143 A HN 1.977 nan 8.150 nan 0.000 0.630 1144 A N 0.963 123.838 122.820 0.092 0.000 1.879 1144 A HA -0.266 4.054 4.320 0.001 0.000 0.222 1144 A C 2.528 180.143 177.584 0.052 0.000 1.368 1144 A CA 2.750 54.823 52.037 0.061 0.000 0.707 1144 A CB -1.290 17.736 19.000 0.045 0.000 0.846 1144 A HN 0.667 nan 8.150 nan 0.000 0.468 1145 S N -1.202 114.534 115.700 0.061 0.000 2.365 1145 S HA -0.192 4.279 4.470 0.001 0.000 0.225 1145 S C 1.682 176.326 174.600 0.074 0.000 1.039 1145 S CA 1.678 59.910 58.200 0.053 0.000 1.033 1145 S CB -0.628 62.605 63.200 0.055 0.000 0.887 1145 S HN 0.625 nan 8.310 nan 0.000 0.447 1146 F N 2.233 122.158 119.950 -0.041 0.000 2.154 1146 F HA -0.105 4.422 4.527 0.001 0.000 0.301 1146 F C 1.882 177.616 175.800 -0.110 0.000 1.087 1146 F CA 0.880 58.839 58.000 -0.068 0.000 1.274 1146 F CB -0.672 38.298 39.000 -0.049 0.000 1.009 1146 F HN 0.148 nan 8.300 nan 0.000 0.485 1147 L N 0.570 121.654 121.223 -0.233 0.000 1.955 1147 L HA -0.290 4.051 4.340 0.001 0.000 0.213 1147 L C 2.723 179.396 176.870 -0.327 0.000 1.072 1147 L CA 2.314 56.947 54.840 -0.345 0.000 0.755 1147 L CB -0.763 41.238 42.059 -0.096 0.000 0.888 1147 L HN 0.201 nan 8.230 nan 0.000 0.432 1148 K N -0.163 120.140 120.400 -0.163 0.000 2.089 1148 K HA -0.322 3.998 4.320 0.001 0.000 0.210 1148 K C 1.960 178.457 176.600 -0.172 0.000 1.048 1148 K CA 2.278 58.488 56.287 -0.129 0.000 0.926 1148 K CB -0.247 32.217 32.500 -0.060 0.000 0.714 1148 K HN 0.460 nan 8.250 nan 0.000 0.448 1149 E N -0.023 120.064 120.200 -0.187 0.000 2.051 1149 E HA -0.194 4.156 4.350 0.001 0.000 0.192 1149 E C 2.155 178.587 176.600 -0.279 0.000 0.991 1149 E CA 0.876 57.174 56.400 -0.171 0.000 0.799 1149 E CB 0.134 29.797 29.700 -0.062 0.000 0.748 1149 E HN 0.259 nan 8.360 nan 0.000 0.449 1150 R N 0.139 120.316 120.500 -0.539 0.000 2.091 1150 R HA -0.146 4.194 4.340 0.001 0.000 0.238 1150 R C 2.402 178.446 176.300 -0.426 0.000 1.136 1150 R CA 0.767 56.481 56.100 -0.644 0.000 0.959 1150 R CB -0.750 28.739 30.300 -1.351 0.000 0.856 1150 R HN 0.223 nan 8.270 nan 0.000 0.437 1151 L N -0.211 120.786 121.223 -0.377 0.000 2.201 1151 L HA -0.090 4.250 4.340 0.001 0.000 0.212 1151 L C 2.094 178.890 176.870 -0.123 0.000 1.105 1151 L CA 1.560 56.275 54.840 -0.208 0.000 0.775 1151 L CB -0.229 41.733 42.059 -0.160 0.000 0.913 1151 L HN 0.134 nan 8.230 nan 0.000 0.440 1152 M N -1.897 117.631 119.600 -0.120 0.000 3.119 1152 M HA 0.095 4.576 4.480 0.001 0.000 0.160 1152 M C 1.859 178.117 176.300 -0.070 0.000 1.675 1152 M CA 0.328 55.586 55.300 -0.070 0.000 1.577 1152 M CB -0.871 31.695 32.600 -0.057 0.000 0.826 1152 M HN -0.180 nan 8.290 nan 0.000 0.549 1153 E N 1.393 121.547 120.200 -0.077 0.000 2.401 1153 E HA -0.120 4.230 4.350 0.001 0.000 0.204 1153 E C 0.733 177.297 176.600 -0.060 0.000 1.036 1153 E CA 1.313 57.673 56.400 -0.067 0.000 0.856 1153 E CB -0.267 29.395 29.700 -0.064 0.000 0.770 1153 E HN 0.490 nan 8.360 nan 0.000 0.527 1154 A N -1.031 121.743 122.820 -0.077 0.000 2.676 1154 A HA 0.529 4.849 4.320 0.001 0.000 0.297 1154 A C 0.702 178.246 177.584 -0.068 0.000 1.132 1154 A CA 0.254 52.248 52.037 -0.070 0.000 0.972 1154 A CB 0.532 19.480 19.000 -0.087 0.000 1.197 1154 A HN 0.080 nan 8.150 nan 0.000 0.524 1155 S N -1.451 114.215 115.700 -0.056 0.000 5.518 1155 S HA 0.069 4.539 4.470 0.001 0.000 0.155 1155 S C -0.020 174.563 174.600 -0.029 0.000 1.390 1155 S CA 0.582 58.755 58.200 -0.045 0.000 0.966 1155 S CB -0.501 62.666 63.200 -0.055 0.000 1.978 1155 S HN 0.213 nan 8.310 nan 0.000 0.624 1156 D N 1.530 121.922 120.400 -0.012 0.000 1.971 1156 D HA 0.329 4.969 4.640 0.001 0.000 0.253 1156 D C 0.820 177.164 176.300 0.073 0.000 1.019 1156 D CA 1.879 55.899 54.000 0.033 0.000 0.947 1156 D CB -0.962 39.878 40.800 0.067 0.000 1.256 1156 D HN 1.256 nan 8.370 nan 0.000 0.493 1157 A N -0.269 122.611 122.820 0.100 0.000 2.379 1157 A HA -0.084 4.237 4.320 0.001 0.000 0.665 1157 A C -0.586 177.170 177.584 0.286 0.000 0.178 1157 A CA 0.382 52.489 52.037 0.116 0.000 0.125 1157 A CB -1.471 17.544 19.000 0.024 0.000 3.856 1157 A HN 0.333 nan 8.150 nan 0.000 0.531 1158 F N 2.918 122.915 119.950 0.079 0.000 2.665 1158 F HA 0.699 5.226 4.527 0.001 0.000 0.308 1158 F C -0.436 175.449 175.800 0.142 0.000 1.112 1158 F CA -0.901 57.167 58.000 0.114 0.000 0.972 1158 F CB 1.386 40.467 39.000 0.135 0.000 1.295 1158 F HN 0.780 nan 8.300 nan 0.000 0.440 1159 R N 5.222 125.444 120.500 -0.463 0.000 2.275 1159 R HA 0.657 4.997 4.340 0.001 0.000 0.326 1159 R C -1.780 174.027 176.300 -0.822 0.000 0.973 1159 R CA -0.195 55.653 56.100 -0.419 0.000 0.854 1159 R CB 0.751 30.988 30.300 -0.106 0.000 1.156 1159 R HN 0.530 nan 8.270 nan 0.000 0.487 1160 V N 3.256 122.763 119.914 -0.678 0.000 3.096 1160 V HA 0.516 4.637 4.120 0.001 0.000 0.319 1160 V C 0.193 175.994 176.094 -0.489 0.000 1.103 1160 V CA -0.944 61.038 62.300 -0.529 0.000 1.016 1160 V CB 2.048 33.686 31.823 -0.309 0.000 1.090 1160 V HN 0.654 nan 8.190 nan 0.000 0.449 1161 H N 0.822 119.834 119.070 -0.096 0.000 2.621 1161 H HA 0.731 5.287 4.556 0.001 0.000 0.360 1161 H C -0.783 174.526 175.328 -0.031 0.000 1.163 1161 H CA -0.297 55.711 56.048 -0.066 0.000 1.194 1161 H CB 2.348 32.093 29.762 -0.029 0.000 1.649 1161 H HN 0.467 nan 8.280 nan 0.000 0.532 1162 I N 0.232 120.867 120.570 0.108 0.000 3.322 1162 I HA 0.250 4.420 4.170 0.001 0.000 0.313 1162 I C -0.186 175.976 176.117 0.075 0.000 1.129 1162 I CA -1.001 60.354 61.300 0.092 0.000 0.963 1162 I CB 2.389 40.451 38.000 0.104 0.000 1.273 1162 I HN 0.431 nan 8.210 nan 0.000 0.473 1163 C N 0.873 120.222 119.300 0.081 0.000 2.355 1163 C HA 0.641 5.101 4.460 0.001 0.000 0.332 1163 C C 1.491 176.534 174.990 0.088 0.000 1.255 1163 C CA -0.128 58.922 59.018 0.053 0.000 1.792 1163 C CB 0.339 28.106 27.740 0.045 0.000 2.300 1163 C HN 1.001 nan 8.230 nan 0.000 0.515 1164 G N 3.842 112.696 108.800 0.090 0.000 2.744 1164 G HA2 0.055 4.015 3.960 0.001 0.000 0.211 1164 G HA3 0.055 4.015 3.960 0.001 0.000 0.211 1164 G C 1.021 175.835 174.900 -0.144 0.000 1.143 1164 G CA 0.550 45.703 45.100 0.088 0.000 0.788 1164 G HN 0.811 nan 8.290 nan 0.000 0.534 1165 I N 0.367 120.896 120.570 -0.069 0.000 2.731 1165 I HA 0.051 4.222 4.170 0.001 0.000 0.235 1165 I C 0.983 177.112 176.117 0.020 0.000 1.064 1165 I CA 0.364 61.621 61.300 -0.072 0.000 1.439 1165 I CB 0.059 38.046 38.000 -0.021 0.000 1.255 1165 I HN 0.210 nan 8.210 nan 0.000 0.446 1166 c N 1.635 120.288 118.600 0.087 0.000 2.223 1166 c HA 0.619 5.189 4.570 0.001 0.000 0.324 1166 c C 1.135 175.338 174.090 0.189 0.000 1.196 1166 c CA -1.254 55.166 56.329 0.152 0.000 1.628 1166 c CB -0.634 41.924 42.510 0.079 0.000 2.229 1166 c HN 0.600 nan 8.230 nan 0.000 0.486 1167 G N 4.331 113.348 108.800 0.361 0.000 2.894 1167 G HA2 0.367 4.327 3.960 0.001 0.000 0.265 1167 G HA3 0.367 4.327 3.960 0.001 0.000 0.265 1167 G C -0.118 174.806 174.900 0.041 0.000 0.735 1167 G CA 0.144 45.394 45.100 0.250 0.000 2.064 1167 G HN 0.838 nan 8.290 nan 0.000 0.590 1168 L N -0.693 120.560 121.223 0.050 0.000 2.257 1168 L HA 0.465 4.805 4.340 0.001 0.000 0.257 1168 L C 1.405 178.301 176.870 0.043 0.000 1.033 1168 L CA -1.211 53.639 54.840 0.018 0.000 0.835 1168 L CB 1.505 43.577 42.059 0.021 0.000 1.398 1168 L HN 0.052 nan 8.230 nan 0.000 0.429 1169 M N -0.771 118.859 119.600 0.050 0.000 2.561 1169 M HA 0.015 4.496 4.480 0.001 0.000 0.238 1169 M C 1.513 177.860 176.300 0.078 0.000 1.131 1169 M CA 0.292 55.634 55.300 0.071 0.000 1.046 1169 M CB -0.779 31.871 32.600 0.083 0.000 1.532 1169 M HN 0.837 nan 8.290 nan 0.000 0.497 1170 T N 1.396 115.989 114.554 0.064 0.000 2.567 1170 T HA -0.175 4.175 4.350 0.001 0.000 0.261 1170 T C 1.096 175.838 174.700 0.069 0.000 1.123 1170 T CA 1.011 63.148 62.100 0.061 0.000 1.166 1170 T CB -1.187 67.711 68.868 0.050 0.000 0.860 1170 T HN 0.307 nan 8.240 nan 0.000 0.436 1171 V N 2.139 122.096 119.914 0.072 0.000 3.023 1171 V HA -0.165 3.956 4.120 0.001 0.000 0.274 1171 V C 0.678 176.825 176.094 0.088 0.000 1.534 1171 V CA 0.755 63.102 62.300 0.079 0.000 1.504 1171 V CB -0.556 31.319 31.823 0.086 0.000 0.849 1171 V HN 0.442 nan 8.190 nan 0.000 0.493 1172 I N 4.668 125.286 120.570 0.080 0.000 2.417 1172 I HA 0.346 4.516 4.170 0.001 0.000 0.283 1172 I C 0.832 176.969 176.117 0.033 0.000 1.121 1172 I CA -0.229 61.106 61.300 0.058 0.000 1.211 1172 I CB 0.597 38.620 38.000 0.039 0.000 1.492 1172 I HN 0.778 nan 8.210 nan 0.000 0.522 1173 A N 5.475 128.312 122.820 0.028 0.000 2.444 1173 A HA 0.197 4.517 4.320 0.001 0.000 0.287 1173 A C 0.758 178.234 177.584 -0.181 0.000 1.195 1173 A CA -0.049 51.928 52.037 -0.100 0.000 0.858 1173 A CB -0.139 18.738 19.000 -0.205 0.000 1.117 1173 A HN 0.617 nan 8.150 nan 0.000 0.521 1174 K N 3.371 123.574 120.400 -0.330 0.000 2.684 1174 K HA 0.201 4.522 4.320 0.001 0.000 0.215 1174 K C -0.443 175.984 176.600 -0.288 0.000 1.073 1174 K CA -0.250 55.900 56.287 -0.228 0.000 1.197 1174 K CB -0.169 32.239 32.500 -0.153 0.000 0.955 1174 K HN 0.780 nan 8.250 nan 0.000 0.473 1175 L N 2.008 123.054 121.223 -0.295 0.000 6.221 1175 L HA -0.307 4.034 4.340 0.001 0.000 0.342 1175 L C 0.761 177.505 176.870 -0.210 0.000 1.548 1175 L CA 0.473 55.187 54.840 -0.209 0.000 0.914 1175 L CB -1.214 40.825 42.059 -0.034 0.000 1.572 1175 L HN 0.558 nan 8.230 nan 0.000 0.303 1176 N N -0.825 117.698 118.700 -0.295 0.000 2.595 1176 N HA -0.053 4.688 4.740 0.001 0.000 0.345 1176 N C 0.831 176.110 175.510 -0.385 0.000 0.571 1176 N CA -0.203 52.615 53.050 -0.387 0.000 1.467 1176 N CB 0.152 38.268 38.487 -0.618 0.000 1.701 1176 N HN 0.501 nan 8.380 nan 0.000 1.779 1177 H N 2.622 121.610 119.070 -0.136 0.000 2.555 1177 H HA 0.316 4.873 4.556 0.001 0.000 0.283 1177 H C 0.195 175.413 175.328 -0.184 0.000 1.037 1177 H CA 0.071 56.044 56.048 -0.126 0.000 1.169 1177 H CB -0.168 29.531 29.762 -0.106 0.000 1.375 1177 H HN 0.356 nan 8.280 nan 0.000 0.582 1178 N N 0.645 119.208 118.700 -0.228 0.000 2.805 1178 N HA -0.247 4.493 4.740 0.001 0.000 0.241 1178 N C 0.173 175.326 175.510 -0.594 0.000 1.007 1178 N CA 0.969 53.787 53.050 -0.386 0.000 0.961 1178 N CB -0.850 37.563 38.487 -0.124 0.000 1.121 1178 N HN 0.579 nan 8.380 nan 0.000 0.600 1179 Q N -1.059 118.533 119.800 -0.346 0.000 2.352 1179 Q HA 0.009 4.349 4.340 0.001 0.000 0.326 1179 Q C 0.744 176.458 176.000 -0.476 0.000 1.135 1179 Q CA 0.881 56.533 55.803 -0.251 0.000 1.000 1179 Q CB 0.138 28.803 28.738 -0.121 0.000 1.237 1179 Q HN 0.400 nan 8.270 nan 0.000 0.409 1180 F N -0.738 119.172 119.950 -0.067 0.000 2.675 1180 F HA 0.081 4.608 4.527 0.001 0.000 0.315 1180 F C 0.513 176.267 175.800 -0.077 0.000 0.888 1180 F CA -0.340 57.598 58.000 -0.103 0.000 1.100 1180 F CB 0.700 39.622 39.000 -0.130 0.000 0.908 1180 F HN 0.599 nan 8.300 nan 0.000 0.657 1181 E N -0.491 119.789 120.200 0.133 0.000 6.294 1181 E HA -0.405 3.945 4.350 0.001 0.000 0.173 1181 E C -0.005 176.631 176.600 0.060 0.000 1.511 1181 E CA 1.342 57.783 56.400 0.068 0.000 2.628 1181 E CB -0.485 29.239 29.700 0.039 0.000 1.927 1181 E HN 0.489 nan 8.360 nan 0.000 0.413 1182 C N 0.857 120.180 119.300 0.039 0.000 3.636 1182 C HA 0.044 4.505 4.460 0.001 0.000 0.394 1182 C C -1.035 173.970 174.990 0.026 0.000 2.513 1182 C CA 0.004 59.043 59.018 0.034 0.000 1.370 1182 C CB -1.143 26.614 27.740 0.029 0.000 2.064 1182 C HN 0.668 nan 8.230 nan 0.000 0.533 1183 K N 1.111 121.525 120.400 0.023 0.000 2.616 1183 K HA 0.377 4.697 4.320 0.001 0.000 0.276 1183 K C 1.379 177.991 176.600 0.019 0.000 0.979 1183 K CA 1.682 57.980 56.287 0.018 0.000 1.055 1183 K CB -0.327 32.183 32.500 0.017 0.000 0.826 1183 K HN 1.698 nan 8.250 nan 0.000 0.490 1184 G N 0.409 109.219 108.800 0.016 0.000 3.349 1184 G HA2 -0.311 3.649 3.960 0.001 0.000 0.202 1184 G HA3 -0.311 3.649 3.960 0.001 0.000 0.202 1184 G C 1.080 175.990 174.900 0.016 0.000 1.588 1184 G CA -0.177 44.933 45.100 0.017 0.000 1.198 1184 G HN 0.742 nan 8.290 nan 0.000 0.588 1185 c N 2.017 120.628 118.600 0.018 0.000 2.799 1185 c HA 0.506 5.076 4.570 0.001 0.000 0.267 1185 c C 0.735 174.832 174.090 0.010 0.000 1.257 1185 c CA -0.269 56.070 56.329 0.017 0.000 1.702 1185 c CB -0.551 41.973 42.510 0.022 0.000 1.934 1185 c HN 0.829 nan 8.230 nan 0.000 0.594 1186 D N 2.380 122.787 120.400 0.012 0.000 3.898 1186 D HA -0.181 4.459 4.640 0.001 0.000 0.217 1186 D C -0.332 175.971 176.300 0.004 0.000 1.023 1186 D CA 0.955 54.961 54.000 0.009 0.000 1.163 1186 D CB -0.292 40.512 40.800 0.007 0.000 0.753 1186 D HN 0.572 nan 8.370 nan 0.000 0.386 1187 N N 2.770 121.473 118.700 0.005 0.000 3.512 1187 N HA 0.511 5.252 4.740 0.001 0.000 0.360 1187 N C 0.531 176.043 175.510 0.005 0.000 1.593 1187 N CA -0.174 52.873 53.050 -0.005 0.000 0.672 1187 N CB 1.159 39.635 38.487 -0.018 0.000 2.105 1187 N HN 0.520 nan 8.380 nan 0.000 0.645 1188 K N -1.019 119.380 120.400 -0.001 0.000 1.017 1188 K HA 0.139 4.459 4.320 0.001 0.000 0.067 1188 K C 0.958 177.559 176.600 0.003 0.000 2.385 1188 K CA 0.123 56.428 56.287 0.030 0.000 0.960 1188 K CB -0.299 32.217 32.500 0.026 0.000 2.650 1188 K HN 0.319 nan 8.250 nan 0.000 0.312 1189 I N 0.766 121.310 120.570 -0.042 0.000 3.098 1189 I HA 0.016 4.186 4.170 0.001 0.000 0.241 1189 I C 0.334 176.357 176.117 -0.156 0.000 1.081 1189 I CA 0.264 61.520 61.300 -0.075 0.000 1.487 1189 I CB 0.269 38.236 38.000 -0.055 0.000 1.366 1189 I HN 0.030 nan 8.210 nan 0.000 0.463 1190 D N 2.145 122.457 120.400 -0.146 0.000 2.383 1190 D HA 0.388 5.028 4.640 0.001 0.000 0.245 1190 D C -0.742 175.385 176.300 -0.288 0.000 1.263 1190 D CA 0.518 54.392 54.000 -0.211 0.000 0.936 1190 D CB 0.105 40.851 40.800 -0.089 0.000 1.053 1190 D HN 0.042 nan 8.370 nan 0.000 0.507 1191 I N 3.278 123.519 120.570 -0.549 0.000 2.692 1191 I HA 0.270 4.440 4.170 0.001 0.000 0.293 1191 I C -1.012 174.612 176.117 -0.820 0.000 1.200 1191 I CA -0.865 60.110 61.300 -0.542 0.000 1.036 1191 I CB 1.465 39.135 38.000 -0.551 0.000 1.258 1191 I HN 0.242 nan 8.210 nan 0.000 0.421 1192 Y N 3.191 123.395 120.300 -0.161 0.000 2.650 1192 Y HA 0.562 5.113 4.550 0.001 0.000 0.331 1192 Y C -0.142 175.694 175.900 -0.107 0.000 1.082 1192 Y CA -0.628 57.392 58.100 -0.133 0.000 1.171 1192 Y CB 1.380 39.776 38.460 -0.106 0.000 1.326 1192 Y HN 0.375 nan 8.280 nan 0.000 0.513 1193 Q N 2.539 122.348 119.800 0.014 0.000 2.323 1193 Q HA 0.670 5.011 4.340 0.001 0.000 0.271 1193 Q C -1.717 174.149 176.000 -0.224 0.000 1.048 1193 Q CA -0.682 55.004 55.803 -0.194 0.000 0.792 1193 Q CB 2.140 30.748 28.738 -0.217 0.000 1.280 1193 Q HN 0.777 nan 8.270 nan 0.000 0.441 1194 I N -0.695 119.700 120.570 -0.292 0.000 2.969 1194 I HA 0.564 4.735 4.170 0.001 0.000 0.307 1194 I C -1.180 174.766 176.117 -0.286 0.000 1.149 1194 I CA -1.087 60.065 61.300 -0.245 0.000 1.008 1194 I CB 2.422 40.361 38.000 -0.101 0.000 1.232 1194 I HN 0.533 nan 8.210 nan 0.000 0.435 1195 H N 4.883 123.913 119.070 -0.068 0.000 2.476 1195 H HA 0.742 5.298 4.556 0.001 0.000 0.328 1195 H C -0.675 174.642 175.328 -0.017 0.000 1.073 1195 H CA -0.421 55.592 56.048 -0.059 0.000 1.229 1195 H CB 1.879 31.622 29.762 -0.032 0.000 1.432 1195 H HN 0.739 nan 8.280 nan 0.000 0.477 1196 I N 0.303 120.949 120.570 0.128 0.000 2.913 1196 I HA 0.467 4.637 4.170 0.001 0.000 0.302 1196 I C -2.903 173.289 176.117 0.125 0.000 1.246 1196 I CA -2.677 58.686 61.300 0.104 0.000 1.010 1196 I CB 3.159 41.217 38.000 0.097 0.000 1.259 1196 I HN 0.178 nan 8.210 nan 0.000 0.434 1197 P HA -0.086 nan 4.420 nan 0.000 0.261 1197 P C 0.288 177.661 177.300 0.123 0.000 1.203 1197 P CA 0.458 63.611 63.100 0.088 0.000 0.767 1197 P CB 0.380 32.094 31.700 0.023 0.000 0.785 1198 Y N 5.188 125.535 120.300 0.080 0.000 2.132 1198 Y HA -0.370 4.181 4.550 0.001 0.000 0.280 1198 Y C 2.455 178.333 175.900 -0.037 0.000 1.193 1198 Y CA 2.528 60.655 58.100 0.045 0.000 1.157 1198 Y CB -0.638 37.753 38.460 -0.115 0.000 0.966 1198 Y HN 0.489 nan 8.280 nan 0.000 0.511 1199 A N 0.295 123.249 122.820 0.222 0.000 1.927 1199 A HA -0.286 4.035 4.320 0.001 0.000 0.220 1199 A C 2.393 179.931 177.584 -0.076 0.000 1.185 1199 A CA 2.287 54.379 52.037 0.092 0.000 0.639 1199 A CB -1.583 17.432 19.000 0.024 0.000 0.820 1199 A HN 0.671 nan 8.150 nan 0.000 0.451 1200 A N -0.058 122.661 122.820 -0.168 0.000 1.877 1200 A HA -0.172 4.148 4.320 0.001 0.000 0.216 1200 A C 2.132 179.299 177.584 -0.696 0.000 1.186 1200 A CA 2.101 53.853 52.037 -0.474 0.000 0.620 1200 A CB -0.553 18.217 19.000 -0.384 0.000 0.822 1200 A HN 0.633 nan 8.150 nan 0.000 0.443 1201 K N -0.206 119.996 120.400 -0.329 0.000 2.015 1201 K HA -0.206 4.114 4.320 0.001 0.000 0.216 1201 K C 1.979 178.479 176.600 -0.167 0.000 1.052 1201 K CA 2.009 58.196 56.287 -0.167 0.000 0.937 1201 K CB -0.525 31.848 32.500 -0.213 0.000 0.719 1201 K HN 0.427 nan 8.250 nan 0.000 0.446 1202 L N 0.995 122.109 121.223 -0.182 0.000 2.081 1202 L HA -0.215 4.125 4.340 0.001 0.000 0.212 1202 L C 2.682 179.513 176.870 -0.066 0.000 1.080 1202 L CA 0.938 55.745 54.840 -0.056 0.000 0.754 1202 L CB -0.367 41.729 42.059 0.061 0.000 0.893 1202 L HN 0.379 nan 8.230 nan 0.000 0.433 1203 L N -0.513 120.590 121.223 -0.201 0.000 2.013 1203 L HA -0.265 4.075 4.340 0.001 0.000 0.212 1203 L C 2.162 179.028 176.870 -0.008 0.000 1.073 1203 L CA 1.966 56.699 54.840 -0.177 0.000 0.753 1203 L CB -0.741 41.096 42.059 -0.369 0.000 0.890 1203 L HN 0.114 nan 8.230 nan 0.000 0.432 1204 F N -0.560 119.392 119.950 0.004 0.000 2.051 1204 F HA -0.258 4.269 4.527 0.001 0.000 0.296 1204 F C 2.658 178.460 175.800 0.003 0.000 1.122 1204 F CA 1.175 59.174 58.000 -0.001 0.000 1.201 1204 F CB -0.624 38.372 39.000 -0.007 0.000 0.978 1204 F HN 0.132 nan 8.300 nan 0.000 0.472 1205 Q N 0.602 120.525 119.800 0.206 0.000 2.096 1205 Q HA -0.273 4.067 4.340 0.001 0.000 0.208 1205 Q C 1.980 178.035 176.000 0.093 0.000 0.993 1205 Q CA 2.162 58.036 55.803 0.119 0.000 0.862 1205 Q CB -0.457 28.329 28.738 0.080 0.000 0.915 1205 Q HN 0.551 nan 8.270 nan 0.000 0.416 1206 E N 0.506 120.753 120.200 0.079 0.000 2.085 1206 E HA -0.204 4.147 4.350 0.001 0.000 0.194 1206 E C 2.114 178.755 176.600 0.068 0.000 0.994 1206 E CA 0.962 57.400 56.400 0.062 0.000 0.801 1206 E CB -0.182 29.545 29.700 0.046 0.000 0.743 1206 E HN 0.329 nan 8.360 nan 0.000 0.453 1207 L N 0.213 121.493 121.223 0.096 0.000 1.994 1207 L HA -0.225 4.115 4.340 0.001 0.000 0.208 1207 L C 2.634 179.542 176.870 0.063 0.000 1.071 1207 L CA 1.216 56.108 54.840 0.087 0.000 0.745 1207 L CB -0.320 41.816 42.059 0.128 0.000 0.892 1207 L HN 0.209 nan 8.230 nan 0.000 0.431 1208 M N -0.614 119.027 119.600 0.069 0.000 2.082 1208 M HA -0.262 4.218 4.480 0.001 0.000 0.258 1208 M C 2.415 178.739 176.300 0.039 0.000 1.069 1208 M CA 2.102 57.430 55.300 0.045 0.000 1.102 1208 M CB -0.647 31.983 32.600 0.050 0.000 1.336 1208 M HN 0.330 nan 8.290 nan 0.000 0.404 1209 A N -0.413 122.434 122.820 0.045 0.000 2.076 1209 A HA -0.130 4.190 4.320 0.001 0.000 0.220 1209 A C 1.973 179.576 177.584 0.031 0.000 1.160 1209 A CA 1.425 53.484 52.037 0.038 0.000 0.653 1209 A CB -0.690 18.334 19.000 0.040 0.000 0.801 1209 A HN 0.544 nan 8.150 nan 0.000 0.455 1210 M N -1.069 118.550 119.600 0.032 0.000 2.453 1210 M HA 0.108 4.589 4.480 0.001 0.000 0.239 1210 M C 0.644 176.957 176.300 0.021 0.000 1.151 1210 M CA 0.006 55.322 55.300 0.026 0.000 0.989 1210 M CB -0.033 32.584 32.600 0.028 0.000 1.548 1210 M HN 0.594 nan 8.290 nan 0.000 0.479 1211 N N 0.993 119.706 118.700 0.021 0.000 2.878 1211 N HA -0.172 4.568 4.740 0.001 0.000 0.247 1211 N C -0.561 174.955 175.510 0.010 0.000 1.021 1211 N CA 0.536 53.595 53.050 0.015 0.000 0.873 1211 N CB -0.627 37.868 38.487 0.013 0.000 1.128 1211 N HN 0.391 nan 8.380 nan 0.000 0.571 1212 I N 1.716 122.294 120.570 0.013 0.000 2.392 1212 I HA 0.168 4.338 4.170 0.001 0.000 0.295 1212 I C 0.645 176.757 176.117 -0.008 0.000 0.985 1212 I CA -0.295 61.007 61.300 0.003 0.000 1.221 1212 I CB 1.522 39.528 38.000 0.009 0.000 1.366 1212 I HN 0.096 nan 8.210 nan 0.000 0.467 1213 T N 4.478 119.013 114.554 -0.032 0.000 2.749 1213 T HA 0.549 4.899 4.350 0.001 0.000 0.287 1213 T C -2.370 172.258 174.700 -0.120 0.000 0.970 1213 T CA -1.564 60.499 62.100 -0.062 0.000 0.980 1213 T CB 1.159 69.993 68.868 -0.056 0.000 0.924 1213 T HN 0.351 nan 8.240 nan 0.000 0.456 1214 P HA 0.394 nan 4.420 nan 0.000 0.295 1214 P C -0.663 176.406 177.300 -0.385 0.000 1.397 1214 P CA -0.747 62.148 63.100 -0.341 0.000 0.903 1214 P CB 0.789 32.162 31.700 -0.545 0.000 1.028 1215 R N 3.333 123.619 120.500 -0.357 0.000 2.265 1215 R HA 0.427 4.767 4.340 0.001 0.000 0.314 1215 R C 0.011 176.064 176.300 -0.411 0.000 1.053 1215 R CA -0.677 55.185 56.100 -0.396 0.000 0.931 1215 R CB 1.106 31.050 30.300 -0.593 0.000 1.024 1215 R HN 0.547 nan 8.270 nan 0.000 0.457 1216 L N 5.257 126.341 121.223 -0.231 0.000 2.264 1216 L HA 0.356 4.697 4.340 0.001 0.000 0.287 1216 L C -0.789 176.182 176.870 0.169 0.000 1.039 1216 L CA -0.579 54.198 54.840 -0.106 0.000 0.829 1216 L CB 0.319 42.331 42.059 -0.078 0.000 1.211 1216 L HN 0.337 nan 8.230 nan 0.000 0.427 1217 Y N 0.972 121.200 120.300 -0.119 0.000 2.377 1217 Y HA 0.198 4.748 4.550 0.001 0.000 0.339 1217 Y C 1.430 177.222 175.900 -0.180 0.000 1.011 1217 Y CA -1.638 56.379 58.100 -0.139 0.000 1.093 1217 Y CB 2.102 40.498 38.460 -0.108 0.000 1.201 1217 Y HN 0.536 nan 8.280 nan 0.000 0.455 1218 T N -2.374 112.082 114.554 -0.163 0.000 3.169 1218 T HA 0.153 4.504 4.350 0.001 0.000 0.250 1218 T C -0.438 174.136 174.700 -0.209 0.000 1.111 1218 T CA -0.006 61.932 62.100 -0.269 0.000 1.010 1218 T CB -0.607 67.904 68.868 -0.594 0.000 0.984 1218 T HN 0.529 nan 8.240 nan 0.000 0.537 1219 D N 0.205 120.526 120.400 -0.131 0.000 2.857 1219 D HA 0.328 4.968 4.640 0.001 0.000 0.227 1219 D C -0.563 175.727 176.300 -0.017 0.000 1.192 1219 D CA -1.044 52.904 54.000 -0.086 0.000 0.857 1219 D CB 1.146 41.878 40.800 -0.113 0.000 1.645 1219 D HN 0.358 nan 8.370 nan 0.000 0.482 1220 R N 0.438 120.934 120.500 -0.007 0.000 2.297 1220 R HA 0.575 4.916 4.340 0.001 0.000 0.308 1220 R C -0.066 176.243 176.300 0.015 0.000 1.029 1220 R CA -0.674 55.437 56.100 0.019 0.000 0.929 1220 R CB 0.947 31.260 30.300 0.022 0.000 1.046 1220 R HN 0.532 nan 8.270 nan 0.000 0.461 1221 S N 1.923 117.641 115.700 0.031 0.000 2.559 1221 S HA 0.048 4.518 4.470 0.001 0.000 0.226 1221 S C 1.474 176.085 174.600 0.018 0.000 1.030 1221 S CA -0.586 57.626 58.200 0.019 0.000 0.956 1221 S CB 0.187 63.405 63.200 0.030 0.000 0.900 1221 S HN 0.728 nan 8.310 nan 0.000 0.510 1222 R N 1.379 121.901 120.500 0.037 0.000 2.310 1222 R HA 0.087 4.427 4.340 0.001 0.000 0.202 1222 R C -0.519 175.803 176.300 0.036 0.000 0.933 1222 R CA 0.498 56.626 56.100 0.047 0.000 1.054 1222 R CB -0.249 30.102 30.300 0.084 0.000 0.985 1222 R HN 0.322 nan 8.270 nan 0.000 0.489 1223 D N -1.346 119.066 120.400 0.020 0.000 3.841 1223 D HA -0.273 4.367 4.640 0.001 0.000 0.276 1223 D C 0.061 176.432 176.300 0.119 0.000 2.088 1223 D CA 1.769 55.763 54.000 -0.010 0.000 1.152 1223 D CB -0.480 40.233 40.800 -0.144 0.000 0.944 1223 D HN 0.131 nan 8.370 nan 0.000 1.144 1224 F N 0.000 119.948 119.950 -0.004 0.000 2.286 1224 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1224 F CA 0.000 57.998 58.000 -0.004 0.000 1.383 1224 F CB 0.000 38.998 39.000 -0.004 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574