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 2nvx_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXYE ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGRRGT ALGIKKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIXXXXXXA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXEEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEXXXXX DATA SEQUENCE XXDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKXXXS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE PDXXXXXXXX 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 RSR 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 0.000 176.281 176.300 -0.032 0.000 2.045 20 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 20 D CB 0.000 40.787 40.800 -0.022 0.000 0.688 21 E N -1.117 119.058 120.200 -0.042 0.000 2.624 21 E HA 0.260 4.612 4.350 0.003 0.000 0.192 21 E C 0.419 176.970 176.600 -0.082 0.000 0.961 21 E CA 0.024 56.384 56.400 -0.067 0.000 1.632 21 E CB 0.115 29.772 29.700 -0.072 0.000 2.082 21 E HN 0.038 nan 8.360 nan 0.000 1.040 22 S N 0.718 116.383 115.700 -0.059 0.000 2.575 22 S HA 0.427 4.898 4.470 0.003 0.000 0.215 22 S C 0.779 175.358 174.600 -0.036 0.000 0.966 22 S CA 0.286 58.454 58.200 -0.053 0.000 0.911 22 S CB 0.235 63.409 63.200 -0.042 0.000 0.780 22 S HN 0.514 nan 8.310 nan 0.000 0.514 23 A N 3.527 126.329 122.820 -0.030 0.000 2.507 23 A HA 0.351 4.672 4.320 0.003 0.000 0.235 23 A C -2.106 175.471 177.584 -0.012 0.000 1.070 23 A CA -0.809 51.218 52.037 -0.017 0.000 0.768 23 A CB -0.222 18.771 19.000 -0.012 0.000 1.011 23 A HN 0.200 nan 8.150 nan 0.000 0.502 24 P HA 0.332 nan 4.420 nan 0.000 0.276 24 P C -0.384 176.904 177.300 -0.020 0.000 1.252 24 P CA -0.183 62.913 63.100 -0.008 0.000 0.802 24 P CB 0.529 32.235 31.700 0.010 0.000 1.035 25 I N 0.524 121.062 120.570 -0.052 0.000 2.945 25 I HA 0.217 4.389 4.170 0.003 0.000 0.292 25 I C 1.178 177.265 176.117 -0.050 0.000 1.093 25 I CA 0.133 61.390 61.300 -0.071 0.000 1.336 25 I CB 0.470 38.365 38.000 -0.176 0.000 1.435 25 I HN 0.407 nan 8.210 nan 0.000 0.593 26 T N 0.303 114.844 114.554 -0.021 0.000 2.930 26 T HA 0.548 4.900 4.350 0.003 0.000 0.290 26 T C 0.638 175.357 174.700 0.031 0.000 1.052 26 T CA -0.434 61.671 62.100 0.008 0.000 1.017 26 T CB 1.841 70.731 68.868 0.037 0.000 1.137 26 T HN 0.610 nan 8.240 nan 0.000 0.511 27 A N 0.408 123.264 122.820 0.060 0.000 1.940 27 A HA -0.071 4.251 4.320 0.003 0.000 0.219 27 A C 2.168 179.884 177.584 0.220 0.000 1.176 27 A CA 2.114 54.221 52.037 0.116 0.000 0.631 27 A CB -1.077 18.005 19.000 0.135 0.000 0.814 27 A HN 0.976 nan 8.150 nan 0.000 0.446 28 E N 0.917 121.245 120.200 0.213 0.000 2.021 28 E HA -0.226 4.126 4.350 0.003 0.000 0.200 28 E C 1.333 178.096 176.600 0.272 0.000 1.015 28 E CA 1.879 58.437 56.400 0.263 0.000 0.824 28 E CB -0.466 29.331 29.700 0.161 0.000 0.762 28 E HN 0.503 nan 8.360 nan 0.000 0.454 29 D N -0.540 119.960 120.400 0.167 0.000 2.357 29 D HA -0.127 4.515 4.640 0.003 0.000 0.216 29 D C 1.658 178.062 176.300 0.173 0.000 0.973 29 D CA 1.246 55.335 54.000 0.147 0.000 0.912 29 D CB -0.332 40.517 40.800 0.081 0.000 0.900 29 D HN 0.312 nan 8.370 nan 0.000 0.501 30 S N -1.616 114.180 115.700 0.160 0.000 2.527 30 S HA -0.077 4.395 4.470 0.003 0.000 0.222 30 S C 1.750 176.414 174.600 0.106 0.000 0.985 30 S CA -0.270 58.010 58.200 0.133 0.000 0.921 30 S CB -0.478 62.752 63.200 0.050 0.000 0.772 30 S HN 0.305 nan 8.310 nan 0.000 0.529 31 W N 1.696 123.096 121.300 0.167 0.000 2.658 31 W HA 0.402 5.063 4.660 0.003 0.000 0.263 31 W C 2.693 179.348 176.519 0.227 0.000 1.274 31 W CA 0.252 57.691 57.345 0.157 0.000 1.343 31 W CB -0.231 29.289 29.460 0.100 0.000 1.106 31 W HN 0.402 nan 8.180 nan 0.000 0.615 32 A N -0.116 122.946 122.820 0.404 0.000 1.940 32 A HA -0.181 4.141 4.320 0.003 0.000 0.219 32 A C 1.944 179.744 177.584 0.360 0.000 1.176 32 A CA 2.030 54.276 52.037 0.348 0.000 0.631 32 A CB -0.973 18.195 19.000 0.280 0.000 0.814 32 A HN 0.099 nan 8.150 nan 0.000 0.446 33 V N -0.310 119.815 119.914 0.353 0.000 2.453 33 V HA -0.213 3.908 4.120 0.003 0.000 0.247 33 V C 2.331 178.609 176.094 0.306 0.000 1.048 33 V CA 1.844 64.364 62.300 0.366 0.000 1.049 33 V CB -0.657 31.415 31.823 0.415 0.000 0.672 33 V HN 0.531 nan 8.190 nan 0.000 0.457 34 I N 0.002 120.698 120.570 0.209 0.000 2.226 34 I HA -0.185 3.987 4.170 0.003 0.000 0.245 34 I C 2.559 178.900 176.117 0.373 0.000 1.100 34 I CA 1.480 62.861 61.300 0.136 0.000 1.374 34 I CB -0.571 37.421 38.000 -0.013 0.000 1.057 34 I HN 0.135 nan 8.210 nan 0.000 0.413 35 S N 0.377 116.387 115.700 0.517 0.000 2.400 35 S HA -0.184 4.287 4.470 0.003 0.000 0.232 35 S C 2.245 177.097 174.600 0.421 0.000 1.025 35 S CA 1.301 59.847 58.200 0.577 0.000 0.993 35 S CB -0.449 63.026 63.200 0.457 0.000 0.808 35 S HN 0.555 nan 8.310 nan 0.000 0.478 36 A N 0.421 123.469 122.820 0.380 0.000 1.929 36 A HA 0.148 4.470 4.320 0.003 0.000 0.216 36 A C 0.807 178.550 177.584 0.264 0.000 1.176 36 A CA 0.553 52.807 52.037 0.362 0.000 0.628 36 A CB -0.390 18.885 19.000 0.459 0.000 0.816 36 A HN 0.433 nan 8.150 nan 0.000 0.444 37 F N -1.946 117.951 119.950 -0.090 0.000 2.406 37 F HA 0.410 4.938 4.527 0.002 0.000 0.327 37 F C 0.806 176.429 175.800 -0.295 0.000 1.153 37 F CA 0.057 57.633 58.000 -0.707 0.000 1.218 37 F CB 0.337 38.488 39.000 -1.416 0.000 1.215 37 F HN 0.317 nan 8.300 nan 0.000 0.570 38 F N -0.282 119.143 119.950 -0.874 0.000 2.530 38 F HA -0.376 4.152 4.527 0.003 0.000 0.737 38 F C 1.961 177.599 175.800 -0.271 0.000 0.486 38 F CA 1.298 59.046 58.000 -0.420 0.000 0.768 38 F CB -1.470 37.496 39.000 -0.058 0.000 1.622 38 F HN 0.433 nan 8.300 nan 0.000 0.275 39 R N 0.924 121.494 120.500 0.115 0.000 2.196 39 R HA -0.239 4.103 4.340 0.003 0.000 0.259 39 R C 1.731 178.023 176.300 -0.014 0.000 1.154 39 R CA 2.443 58.587 56.100 0.073 0.000 0.976 39 R CB -0.697 29.676 30.300 0.121 0.000 0.888 39 R HN 0.670 nan 8.270 nan 0.000 0.453 40 E N -0.071 120.063 120.200 -0.109 0.000 2.024 40 E HA -0.059 4.293 4.350 0.003 0.000 0.190 40 E C 2.113 178.589 176.600 -0.208 0.000 0.974 40 E CA 0.672 56.999 56.400 -0.122 0.000 0.810 40 E CB 0.131 29.783 29.700 -0.080 0.000 0.775 40 E HN 0.259 nan 8.360 nan 0.000 0.453 41 K N -0.127 119.995 120.400 -0.464 0.000 2.076 41 K HA 0.065 4.386 4.320 0.003 0.000 0.204 41 K C 1.141 177.594 176.600 -0.244 0.000 1.051 41 K CA 0.822 56.842 56.287 -0.445 0.000 0.949 41 K CB 0.269 32.253 32.500 -0.860 0.000 0.726 41 K HN 0.239 nan 8.250 nan 0.000 0.443 42 G N 0.507 109.193 108.800 -0.191 0.000 2.482 42 G HA2 -0.254 3.707 3.960 0.003 0.000 0.214 42 G HA3 -0.254 3.707 3.960 0.003 0.000 0.214 42 G C 0.143 175.088 174.900 0.075 0.000 1.271 42 G CA -0.307 44.791 45.100 -0.003 0.000 0.944 42 G HN 0.158 nan 8.290 nan 0.000 0.568 43 L N 0.247 121.525 121.223 0.092 0.000 2.840 43 L HA 0.243 4.584 4.340 0.003 0.000 0.249 43 L C 2.452 179.349 176.870 0.044 0.000 1.119 43 L CA 0.958 55.871 54.840 0.122 0.000 0.930 43 L CB 0.998 43.133 42.059 0.127 0.000 1.295 43 L HN 0.676 nan 8.230 nan 0.000 0.534 44 V N -4.103 115.824 119.914 0.021 0.000 3.354 44 V HA 0.007 4.129 4.120 0.003 0.000 0.258 44 V C 2.179 178.264 176.094 -0.015 0.000 1.159 44 V CA 0.587 62.886 62.300 -0.001 0.000 1.125 44 V CB -0.273 31.555 31.823 0.009 0.000 0.774 44 V HN 0.493 nan 8.190 nan 0.000 0.464 45 S N 3.237 118.921 115.700 -0.026 0.000 2.052 45 S HA -0.576 3.896 4.470 0.003 0.000 0.516 45 S C 1.822 176.407 174.600 -0.025 0.000 0.943 45 S CA 3.172 61.343 58.200 -0.047 0.000 3.205 45 S CB -1.715 61.426 63.200 -0.099 0.000 2.252 45 S HN 0.842 nan 8.310 nan 0.000 0.554 46 Q N 1.330 121.105 119.800 -0.041 0.000 2.268 46 Q HA -0.099 4.242 4.340 0.003 0.000 0.210 46 Q C 2.137 178.136 176.000 -0.003 0.000 0.988 46 Q CA 2.027 57.810 55.803 -0.033 0.000 0.883 46 Q CB -0.679 28.016 28.738 -0.073 0.000 0.911 46 Q HN 0.789 nan 8.270 nan 0.000 0.430 47 Q N 0.252 120.050 119.800 -0.004 0.000 2.079 47 Q HA 0.015 4.356 4.340 0.003 0.000 0.200 47 Q C 2.242 178.283 176.000 0.069 0.000 0.974 47 Q CA 1.220 57.031 55.803 0.013 0.000 0.840 47 Q CB -0.119 28.606 28.738 -0.021 0.000 0.898 47 Q HN 0.500 nan 8.270 nan 0.000 0.430 48 L N 0.728 121.988 121.223 0.062 0.000 2.072 48 L HA -0.166 4.176 4.340 0.003 0.000 0.205 48 L C 1.934 178.882 176.870 0.129 0.000 1.079 48 L CA 0.868 55.774 54.840 0.110 0.000 0.752 48 L CB -0.423 41.678 42.059 0.070 0.000 0.906 48 L HN 0.084 nan 8.230 nan 0.000 0.436 49 D N -0.565 119.877 120.400 0.069 0.000 2.149 49 D HA -0.203 4.439 4.640 0.003 0.000 0.198 49 D C 2.350 178.686 176.300 0.059 0.000 0.990 49 D CA 1.517 55.546 54.000 0.048 0.000 0.839 49 D CB -0.084 40.727 40.800 0.019 0.000 0.948 49 D HN 0.104 nan 8.370 nan 0.000 0.460 50 S N -1.083 114.667 115.700 0.084 0.000 2.406 50 S HA -0.105 4.366 4.470 0.003 0.000 0.228 50 S C 1.581 176.285 174.600 0.173 0.000 1.020 50 S CA 0.310 58.568 58.200 0.095 0.000 0.965 50 S CB -0.220 63.029 63.200 0.081 0.000 0.798 50 S HN 0.226 nan 8.310 nan 0.000 0.488 51 F N 2.260 122.259 119.950 0.082 0.000 2.416 51 F HA 0.240 4.769 4.527 0.003 0.000 0.296 51 F C 1.780 177.673 175.800 0.155 0.000 1.099 51 F CA 0.683 58.775 58.000 0.152 0.000 1.427 51 F CB -0.187 38.911 39.000 0.164 0.000 1.079 51 F HN 0.184 nan 8.300 nan 0.000 0.536 52 N N 0.386 119.162 118.700 0.127 0.000 2.331 52 N HA -0.164 4.578 4.740 0.003 0.000 0.180 52 N C 1.700 177.169 175.510 -0.070 0.000 1.019 52 N CA 0.911 53.972 53.050 0.019 0.000 0.881 52 N CB -0.399 38.129 38.487 0.068 0.000 0.972 52 N HN 0.369 nan 8.380 nan 0.000 0.435 53 Q N -0.218 119.533 119.800 -0.081 0.000 2.230 53 Q HA 0.039 4.380 4.340 0.003 0.000 0.202 53 Q C 1.531 177.472 176.000 -0.098 0.000 0.963 53 Q CA 0.757 56.460 55.803 -0.165 0.000 0.866 53 Q CB -0.255 28.386 28.738 -0.162 0.000 0.931 53 Q HN 0.345 nan 8.270 nan 0.000 0.452 54 F N -1.202 118.600 119.950 -0.247 0.000 2.456 54 F HA 0.033 4.561 4.527 0.003 0.000 0.298 54 F C 1.294 176.868 175.800 -0.378 0.000 1.104 54 F CA 0.631 58.455 58.000 -0.293 0.000 1.435 54 F CB 0.157 38.967 39.000 -0.316 0.000 1.078 54 F HN -0.055 nan 8.300 nan 0.000 0.546 55 V N -0.093 119.486 119.914 -0.558 0.000 2.403 55 V HA -0.121 4.000 4.120 0.003 0.000 0.239 55 V C 1.829 177.725 176.094 -0.330 0.000 1.041 55 V CA 1.693 63.645 62.300 -0.579 0.000 1.051 55 V CB -0.443 31.118 31.823 -0.437 0.000 0.704 55 V HN 0.090 nan 8.190 nan 0.000 0.472 56 D N -1.310 119.029 120.400 -0.102 0.000 2.264 56 D HA -0.096 4.545 4.640 0.003 0.000 0.208 56 D C 1.316 177.722 176.300 0.177 0.000 0.966 56 D CA 1.462 55.508 54.000 0.076 0.000 0.864 56 D CB 0.190 41.137 40.800 0.246 0.000 0.933 56 D HN 0.528 nan 8.370 nan 0.000 0.499 57 Y N -0.766 119.393 120.300 -0.236 0.000 3.274 57 Y HA 0.095 4.647 4.550 0.002 0.000 0.174 57 Y C 2.422 178.148 175.900 -0.291 0.000 0.880 57 Y CA -0.106 57.865 58.100 -0.214 0.000 1.793 57 Y CB -0.860 37.516 38.460 -0.139 0.000 1.409 57 Y HN -0.255 nan 8.280 nan 0.000 0.368 58 T N 2.608 117.126 114.554 -0.061 0.000 2.736 58 T HA -0.261 4.090 4.350 0.003 0.000 0.265 58 T C 1.920 176.429 174.700 -0.318 0.000 1.031 58 T CA 2.116 64.140 62.100 -0.126 0.000 1.155 58 T CB -0.681 68.180 68.868 -0.012 0.000 0.849 58 T HN 0.101 nan 8.240 nan 0.000 0.471 59 L N 1.008 121.846 121.223 -0.641 0.000 2.013 59 L HA -0.150 4.191 4.340 0.003 0.000 0.212 59 L C 2.587 179.173 176.870 -0.473 0.000 1.073 59 L CA 1.932 56.305 54.840 -0.779 0.000 0.753 59 L CB -1.063 40.429 42.059 -0.945 0.000 0.890 59 L HN 0.195 nan 8.230 nan 0.000 0.432 60 Q N 0.216 119.804 119.800 -0.354 0.000 1.985 60 Q HA -0.251 4.090 4.340 0.003 0.000 0.207 60 Q C 1.916 177.797 176.000 -0.199 0.000 0.996 60 Q CA 2.602 58.246 55.803 -0.264 0.000 0.851 60 Q CB -0.659 27.942 28.738 -0.229 0.000 0.921 60 Q HN 0.774 nan 8.270 nan 0.000 0.418 61 D N -0.758 119.558 120.400 -0.140 0.000 2.219 61 D HA -0.155 4.487 4.640 0.003 0.000 0.205 61 D C 1.624 177.887 176.300 -0.061 0.000 0.970 61 D CA 0.813 54.768 54.000 -0.075 0.000 0.851 61 D CB -0.104 40.676 40.800 -0.034 0.000 0.943 61 D HN 0.323 nan 8.370 nan 0.000 0.488 62 I N 1.219 121.731 120.570 -0.096 0.000 2.493 62 I HA -0.106 4.066 4.170 0.003 0.000 0.254 62 I C 2.604 178.645 176.117 -0.127 0.000 1.160 62 I CA 0.283 61.554 61.300 -0.048 0.000 1.445 62 I CB -0.684 37.321 38.000 0.009 0.000 1.086 62 I HN 0.055 nan 8.210 nan 0.000 0.433 63 I N 0.240 120.627 120.570 -0.305 0.000 2.226 63 I HA -0.284 3.887 4.170 0.003 0.000 0.245 63 I C 2.099 178.217 176.117 0.002 0.000 1.100 63 I CA 0.708 61.712 61.300 -0.494 0.000 1.374 63 I CB 0.042 37.749 38.000 -0.489 0.000 1.057 63 I HN 0.259 nan 8.210 nan 0.000 0.413 64 C N 0.477 119.793 119.300 0.027 0.000 1.864 64 C HA -0.003 4.459 4.460 0.003 0.000 0.210 64 C C 1.876 176.954 174.990 0.147 0.000 3.043 64 C CA 0.180 59.265 59.018 0.111 0.000 1.754 64 C CB -0.608 27.164 27.740 0.053 0.000 1.944 64 C HN 0.730 nan 8.230 nan 0.000 0.348 65 E N 1.426 121.691 120.200 0.109 0.000 3.679 65 E HA -0.404 3.948 4.350 0.003 0.000 0.309 65 E C 0.716 177.392 176.600 0.126 0.000 1.318 65 E CA 1.584 58.047 56.400 0.105 0.000 1.822 65 E CB -1.747 28.012 29.700 0.099 0.000 1.689 65 E HN 0.849 nan 8.360 nan 0.000 0.355 66 D N 2.012 122.500 120.400 0.147 0.000 2.340 66 D HA -0.008 4.634 4.640 0.003 0.000 0.220 66 D C 1.674 178.088 176.300 0.190 0.000 1.039 66 D CA 1.176 55.261 54.000 0.140 0.000 0.866 66 D CB 0.013 40.878 40.800 0.108 0.000 0.913 66 D HN 0.415 nan 8.370 nan 0.000 0.523 67 S N 0.816 116.679 115.700 0.271 0.000 2.368 67 S HA -0.230 4.242 4.470 0.003 0.000 0.226 67 S C 1.527 176.321 174.600 0.324 0.000 1.044 67 S CA 1.530 59.997 58.200 0.444 0.000 1.062 67 S CB -1.785 61.767 63.200 0.586 0.000 0.931 67 S HN 0.454 nan 8.310 nan 0.000 0.440 68 T N 2.809 117.482 114.554 0.199 0.000 2.819 68 T HA 0.178 4.530 4.350 0.003 0.000 0.282 68 T C -0.216 174.566 174.700 0.136 0.000 1.013 68 T CA 0.154 62.324 62.100 0.116 0.000 1.159 68 T CB -0.752 68.168 68.868 0.087 0.000 1.007 68 T HN 0.364 nan 8.240 nan 0.000 0.514 69 L N 4.479 125.765 121.223 0.105 0.000 2.256 69 L HA 0.647 4.988 4.340 0.003 0.000 0.261 69 L C 0.221 177.151 176.870 0.101 0.000 1.022 69 L CA -1.669 53.266 54.840 0.158 0.000 0.828 69 L CB 1.494 43.646 42.059 0.155 0.000 1.374 69 L HN 0.475 nan 8.230 nan 0.000 0.436 89 E N 2.155 122.419 120.200 0.107 0.000 2.252 89 E HA -0.206 4.146 4.350 0.003 0.000 0.218 89 E C -0.793 175.792 176.600 -0.025 0.000 1.253 89 E CA 0.169 56.585 56.400 0.027 0.000 0.705 89 E CB -0.577 29.137 29.700 0.024 0.000 1.172 89 E HN 0.268 nan 8.360 nan 0.000 0.369 90 I N 2.008 122.542 120.570 -0.060 0.000 2.460 90 I HA -0.001 4.171 4.170 0.003 0.000 0.297 90 I C 0.880 176.816 176.117 -0.303 0.000 1.139 90 I CA 0.646 61.836 61.300 -0.183 0.000 1.340 90 I CB -0.431 37.463 38.000 -0.178 0.000 1.444 90 I HN 0.108 nan 8.210 nan 0.000 0.557 91 S N 6.386 121.902 115.700 -0.306 0.000 2.659 91 S HA 0.614 5.086 4.470 0.003 0.000 0.312 91 S C -0.610 173.880 174.600 -0.182 0.000 1.114 91 S CA -0.699 57.392 58.200 -0.181 0.000 1.063 91 S CB 0.877 64.049 63.200 -0.047 0.000 0.996 91 S HN 0.175 nan 8.310 nan 0.000 0.478 92 F N 2.406 122.409 119.950 0.089 0.000 2.410 92 F HA 0.704 5.233 4.527 0.003 0.000 0.334 92 F C 1.403 177.233 175.800 0.051 0.000 1.134 92 F CA 0.704 58.762 58.000 0.096 0.000 1.227 92 F CB 1.051 40.160 39.000 0.182 0.000 1.194 92 F HN 0.932 nan 8.300 nan 0.000 0.571 93 G N 0.734 109.677 108.800 0.240 0.000 3.253 93 G HA2 0.276 4.237 3.960 0.003 0.000 0.175 93 G HA3 0.276 4.237 3.960 0.003 0.000 0.175 93 G C -0.968 173.938 174.900 0.011 0.000 1.098 93 G CA -0.828 44.324 45.100 0.086 0.000 0.790 93 G HN 0.511 nan 8.290 nan 0.000 0.648 94 K N -0.305 120.047 120.400 -0.080 0.000 2.397 94 K HA 0.283 4.605 4.320 0.003 0.000 0.265 94 K C -0.847 175.594 176.600 -0.266 0.000 0.982 94 K CA -0.015 56.137 56.287 -0.226 0.000 0.931 94 K CB 0.461 32.748 32.500 -0.356 0.000 0.943 94 K HN 0.325 nan 8.250 nan 0.000 0.501 95 I N 3.543 123.902 120.570 -0.352 0.000 2.418 95 I HA 0.233 4.404 4.170 0.003 0.000 0.287 95 I C -1.483 174.424 176.117 -0.350 0.000 1.008 95 I CA -0.855 60.272 61.300 -0.288 0.000 1.104 95 I CB 0.737 38.594 38.000 -0.239 0.000 1.264 95 I HN 0.569 nan 8.210 nan 0.000 0.438 96 Y N 5.928 126.233 120.300 0.008 0.000 2.323 96 Y HA 0.540 5.091 4.550 0.002 0.000 0.331 96 Y C -0.129 175.727 175.900 -0.074 0.000 1.092 96 Y CA -0.809 57.290 58.100 -0.002 0.000 1.150 96 Y CB 1.573 40.087 38.460 0.090 0.000 1.200 96 Y HN 0.163 nan 8.280 nan 0.000 0.472 97 V N 3.028 122.956 119.914 0.024 0.000 2.409 97 V HA 0.304 4.426 4.120 0.003 0.000 0.291 97 V C 0.165 176.193 176.094 -0.111 0.000 1.020 97 V CA -1.059 61.178 62.300 -0.105 0.000 0.848 97 V CB 1.354 33.092 31.823 -0.141 0.000 0.990 97 V HN 0.946 nan 8.190 nan 0.000 0.430 98 T N 2.200 116.637 114.554 -0.195 0.000 2.726 98 T HA 0.356 4.707 4.350 0.003 0.000 0.294 98 T C -0.049 174.537 174.700 -0.191 0.000 1.013 98 T CA -0.621 61.372 62.100 -0.179 0.000 0.996 98 T CB 0.660 69.389 68.868 -0.231 0.000 1.016 98 T HN 0.545 nan 8.240 nan 0.000 0.529 99 K N 1.851 122.126 120.400 -0.209 0.000 2.227 99 K HA 0.316 4.638 4.320 0.003 0.000 0.280 99 K C -2.576 173.786 176.600 -0.396 0.000 1.041 99 K CA -1.944 54.110 56.287 -0.388 0.000 0.905 99 K CB 0.827 33.063 32.500 -0.441 0.000 1.068 99 K HN 0.423 nan 8.250 nan 0.000 0.470 100 P HA -0.186 nan 4.420 nan 0.000 0.257 100 P C -0.679 176.456 177.300 -0.275 0.000 1.144 100 P CA 1.121 63.929 63.100 -0.488 0.000 0.761 100 P CB 0.212 31.325 31.700 -0.977 0.000 0.734 101 M N 1.147 120.640 119.600 -0.178 0.000 2.658 101 M HA 0.784 5.265 4.480 0.003 0.000 0.295 101 M C -1.351 174.923 176.300 -0.044 0.000 1.248 101 M CA -1.172 54.083 55.300 -0.075 0.000 0.843 101 M CB 2.328 34.898 32.600 -0.050 0.000 1.749 101 M HN -0.141 nan 8.290 nan 0.000 0.464 102 V N 1.845 121.763 119.914 0.007 0.000 2.567 102 V HA 0.291 4.412 4.120 0.003 0.000 0.298 102 V C -1.224 174.879 176.094 0.016 0.000 1.047 102 V CA -0.511 61.792 62.300 0.006 0.000 0.880 102 V CB 1.901 33.724 31.823 -0.001 0.000 1.009 102 V HN 0.955 nan 8.190 nan 0.000 0.429 103 N N 4.464 123.160 118.700 -0.008 0.000 2.555 103 N HA 0.194 4.936 4.740 0.003 0.000 0.244 103 N C 0.144 175.646 175.510 -0.015 0.000 1.114 103 N CA -0.305 52.736 53.050 -0.015 0.000 0.963 103 N CB 0.543 38.998 38.487 -0.053 0.000 1.276 103 N HN 0.811 nan 8.380 nan 0.000 0.510 104 E N 0.921 121.116 120.200 -0.009 0.000 2.319 104 E HA 0.255 4.606 4.350 0.003 0.000 0.268 104 E C -0.366 176.227 176.600 -0.012 0.000 1.050 104 E CA -0.926 55.464 56.400 -0.018 0.000 0.878 104 E CB 0.655 30.335 29.700 -0.033 0.000 1.066 104 E HN 0.475 nan 8.360 nan 0.000 0.406 105 S N 2.057 117.750 115.700 -0.012 0.000 2.560 105 S HA -0.029 4.443 4.470 0.003 0.000 0.284 105 S C 0.311 174.909 174.600 -0.003 0.000 1.327 105 S CA -0.072 58.125 58.200 -0.006 0.000 1.055 105 S CB 0.420 63.618 63.200 -0.002 0.000 0.868 105 S HN 0.763 nan 8.310 nan 0.000 0.506 106 D N 1.107 121.507 120.400 -0.001 0.000 2.802 106 D HA -0.072 4.570 4.640 0.003 0.000 0.229 106 D C 0.189 176.491 176.300 0.003 0.000 1.203 106 D CA 1.825 55.825 54.000 0.001 0.000 0.712 106 D CB -1.259 39.544 40.800 0.004 0.000 0.973 106 D HN 1.098 nan 8.370 nan 0.000 0.407 107 G N -1.775 107.027 108.800 0.003 0.000 2.554 107 G HA2 0.579 4.541 3.960 0.003 0.000 0.306 107 G HA3 0.579 4.541 3.960 0.003 0.000 0.306 107 G C -0.566 174.342 174.900 0.014 0.000 1.320 107 G CA -0.086 45.020 45.100 0.011 0.000 0.800 107 G HN 0.387 nan 8.290 nan 0.000 0.481 108 V N -0.581 119.352 119.914 0.031 0.000 3.109 108 V HA 0.604 4.725 4.120 0.003 0.000 0.317 108 V C 0.674 176.794 176.094 0.043 0.000 1.074 108 V CA -0.695 61.624 62.300 0.032 0.000 1.033 108 V CB 1.495 33.340 31.823 0.037 0.000 1.111 108 V HN 0.722 nan 8.190 nan 0.000 0.458 109 T N 1.489 116.058 114.554 0.026 0.000 2.799 109 T HA 0.242 4.593 4.350 0.003 0.000 0.296 109 T C -0.428 174.302 174.700 0.050 0.000 0.947 109 T CA 0.519 62.636 62.100 0.029 0.000 1.141 109 T CB -0.508 68.365 68.868 0.008 0.000 0.891 109 T HN 0.797 nan 8.240 nan 0.000 0.533 110 H N 1.532 120.592 119.070 -0.018 0.000 2.495 110 H HA 0.567 5.125 4.556 0.003 0.000 0.348 110 H C -0.282 175.026 175.328 -0.033 0.000 1.113 110 H CA -0.727 55.312 56.048 -0.014 0.000 1.195 110 H CB 0.940 30.699 29.762 -0.005 0.000 1.521 110 H HN 0.707 nan 8.280 nan 0.000 0.509 111 A N 5.465 128.164 122.820 -0.202 0.000 2.539 111 A HA 0.217 4.539 4.320 0.003 0.000 0.306 111 A C -0.579 176.962 177.584 -0.071 0.000 1.392 111 A CA -0.429 51.527 52.037 -0.135 0.000 1.060 111 A CB -0.869 17.973 19.000 -0.262 0.000 1.134 111 A HN 0.625 nan 8.150 nan 0.000 0.542 112 L N 3.949 125.197 121.223 0.041 0.000 2.369 112 L HA 0.427 4.769 4.340 0.003 0.000 0.279 112 L C -0.652 176.266 176.870 0.080 0.000 1.108 112 L CA 0.136 55.039 54.840 0.105 0.000 0.852 112 L CB -0.329 41.772 42.059 0.070 0.000 1.169 112 L HN 0.597 nan 8.230 nan 0.000 0.452 113 Y N 6.895 127.350 120.300 0.259 0.000 2.326 113 Y HA 0.339 4.890 4.550 0.002 0.000 0.324 113 Y C -1.200 174.921 175.900 0.368 0.000 1.291 113 Y CA -1.495 56.796 58.100 0.318 0.000 1.348 113 Y CB -0.097 38.430 38.460 0.112 0.000 1.294 113 Y HN 0.553 nan 8.280 nan 0.000 0.525 114 P HA -0.302 nan 4.420 nan 0.000 0.213 114 P C 1.236 178.605 177.300 0.116 0.000 1.176 114 P CA 1.868 64.999 63.100 0.051 0.000 0.919 114 P CB 0.312 31.955 31.700 -0.095 0.000 0.791 115 Q N 0.485 120.355 119.800 0.117 0.000 2.096 115 Q HA -0.228 4.114 4.340 0.003 0.000 0.208 115 Q C 2.325 178.387 176.000 0.103 0.000 0.993 115 Q CA 2.149 58.003 55.803 0.085 0.000 0.862 115 Q CB -1.158 27.613 28.738 0.054 0.000 0.915 115 Q HN 0.347 nan 8.270 nan 0.000 0.416 116 E N -1.308 118.979 120.200 0.145 0.000 2.118 116 E HA -0.212 4.140 4.350 0.003 0.000 0.195 116 E C 1.683 178.346 176.600 0.105 0.000 0.992 116 E CA 1.012 57.484 56.400 0.121 0.000 0.804 116 E CB -0.215 29.573 29.700 0.147 0.000 0.741 116 E HN 0.462 nan 8.360 nan 0.000 0.458 117 A N 1.054 123.958 122.820 0.141 0.000 1.877 117 A HA -0.186 4.136 4.320 0.003 0.000 0.216 117 A C 2.107 179.745 177.584 0.089 0.000 1.186 117 A CA 1.450 53.563 52.037 0.127 0.000 0.620 117 A CB -0.394 18.725 19.000 0.199 0.000 0.822 117 A HN 0.153 nan 8.150 nan 0.000 0.443 118 R N -1.018 119.536 120.500 0.091 0.000 2.081 118 R HA -0.067 4.274 4.340 0.003 0.000 0.235 118 R C 1.981 178.345 176.300 0.107 0.000 1.131 118 R CA 1.415 57.570 56.100 0.091 0.000 0.960 118 R CB -0.552 29.799 30.300 0.086 0.000 0.856 118 R HN 0.417 nan 8.270 nan 0.000 0.436 119 L N 0.402 121.688 121.223 0.104 0.000 2.093 119 L HA -0.129 4.213 4.340 0.003 0.000 0.208 119 L C 2.106 179.088 176.870 0.188 0.000 1.085 119 L CA 1.665 56.589 54.840 0.139 0.000 0.755 119 L CB -0.179 41.944 42.059 0.107 0.000 0.904 119 L HN 0.026 nan 8.230 nan 0.000 0.435 120 R N -0.579 119.965 120.500 0.074 0.000 2.317 120 R HA 0.144 4.486 4.340 0.003 0.000 0.208 120 R C 0.108 176.253 176.300 -0.258 0.000 0.914 120 R CA 0.023 56.081 56.100 -0.070 0.000 1.060 120 R CB -0.225 30.032 30.300 -0.072 0.000 1.015 120 R HN 0.381 nan 8.270 nan 0.000 0.498 121 N N 0.866 119.513 118.700 -0.089 0.000 2.754 121 N HA -0.177 4.564 4.740 0.003 0.000 0.248 121 N C -0.774 174.682 175.510 -0.091 0.000 1.093 121 N CA 0.156 53.150 53.050 -0.094 0.000 0.699 121 N CB -0.747 37.604 38.487 -0.227 0.000 1.016 121 N HN 0.180 nan 8.380 nan 0.000 0.552 122 L N -0.241 120.961 121.223 -0.035 0.000 2.335 122 L HA 0.520 4.862 4.340 0.003 0.000 0.268 122 L C 0.747 177.646 176.870 0.048 0.000 1.016 122 L CA -0.557 54.279 54.840 -0.008 0.000 0.805 122 L CB 1.495 43.554 42.059 -0.001 0.000 1.311 122 L HN -0.103 nan 8.230 nan 0.000 0.456 123 T N -0.487 114.100 114.554 0.054 0.000 2.770 123 T HA 0.202 4.553 4.350 0.003 0.000 0.283 123 T C -0.688 174.078 174.700 0.112 0.000 0.988 123 T CA -0.171 61.978 62.100 0.082 0.000 0.957 123 T CB 0.410 69.307 68.868 0.048 0.000 0.930 123 T HN 0.288 nan 8.240 nan 0.000 0.443 124 Y N 4.604 124.911 120.300 0.012 0.000 2.568 124 Y HA 0.355 4.907 4.550 0.002 0.000 0.338 124 Y C 0.478 176.363 175.900 -0.024 0.000 1.245 124 Y CA -0.335 57.770 58.100 0.008 0.000 1.667 124 Y CB -0.409 38.065 38.460 0.024 0.000 1.568 124 Y HN 0.620 nan 8.280 nan 0.000 0.471 125 S N 2.091 117.733 115.700 -0.097 0.000 2.526 125 S HA 0.784 5.255 4.470 0.003 0.000 0.293 125 S C -0.509 173.999 174.600 -0.154 0.000 1.092 125 S CA -0.708 57.433 58.200 -0.098 0.000 0.980 125 S CB 1.498 64.680 63.200 -0.031 0.000 1.048 125 S HN 0.484 nan 8.310 nan 0.000 0.483 126 S N 1.683 117.298 115.700 -0.141 0.000 2.722 126 S HA 0.838 5.309 4.470 0.003 0.000 0.292 126 S C 0.494 175.034 174.600 -0.100 0.000 1.135 126 S CA -0.674 57.434 58.200 -0.155 0.000 1.003 126 S CB 0.726 63.809 63.200 -0.195 0.000 1.067 126 S HN 1.260 nan 8.310 nan 0.000 0.546 127 G N 0.491 109.212 108.800 -0.130 0.000 2.395 127 G HA2 0.517 4.478 3.960 0.003 0.000 0.283 127 G HA3 0.517 4.478 3.960 0.003 0.000 0.283 127 G C -0.739 173.942 174.900 -0.364 0.000 1.178 127 G CA -0.632 44.409 45.100 -0.098 0.000 0.837 127 G HN 0.462 nan 8.290 nan 0.000 0.518 128 L N 1.520 122.549 121.223 -0.324 0.000 2.334 128 L HA 0.547 4.888 4.340 0.003 0.000 0.277 128 L C -0.636 176.158 176.870 -0.127 0.000 1.075 128 L CA -0.737 53.952 54.840 -0.252 0.000 0.804 128 L CB 0.859 42.833 42.059 -0.141 0.000 1.174 128 L HN 0.263 nan 8.230 nan 0.000 0.438 129 F N 1.935 121.929 119.950 0.072 0.000 2.529 129 F HA 0.613 5.141 4.527 0.003 0.000 0.320 129 F C 0.085 175.960 175.800 0.126 0.000 1.118 129 F CA -1.226 56.860 58.000 0.143 0.000 0.915 129 F CB 2.043 41.179 39.000 0.227 0.000 1.161 129 F HN -0.022 nan 8.300 nan 0.000 0.445 130 V N 2.449 122.561 119.914 0.329 0.000 2.588 130 V HA 0.257 4.378 4.120 0.003 0.000 0.304 130 V C -0.623 175.625 176.094 0.256 0.000 1.042 130 V CA -0.972 61.465 62.300 0.228 0.000 0.877 130 V CB 2.152 34.102 31.823 0.212 0.000 0.996 130 V HN 0.576 nan 8.190 nan 0.000 0.425 131 D N 3.649 124.164 120.400 0.192 0.000 2.359 131 D HA 0.243 4.885 4.640 0.003 0.000 0.250 131 D C -0.213 176.175 176.300 0.147 0.000 1.264 131 D CA 0.255 54.353 54.000 0.164 0.000 0.911 131 D CB 1.307 42.181 40.800 0.123 0.000 1.056 131 D HN 0.296 nan 8.370 nan 0.000 0.499 132 V N 3.448 123.426 119.914 0.107 0.000 2.743 132 V HA 0.383 4.504 4.120 0.003 0.000 0.301 132 V C 0.600 176.652 176.094 -0.070 0.000 1.057 132 V CA -0.643 61.632 62.300 -0.042 0.000 1.006 132 V CB 1.674 33.449 31.823 -0.081 0.000 1.024 132 V HN 0.299 nan 8.190 nan 0.000 0.473 133 K N 1.787 122.104 120.400 -0.139 0.000 2.295 133 K HA 0.530 4.852 4.320 0.003 0.000 0.239 133 K C -0.342 176.205 176.600 -0.087 0.000 0.991 133 K CA -1.016 55.222 56.287 -0.083 0.000 0.845 133 K CB 1.915 34.380 32.500 -0.058 0.000 1.197 133 K HN 0.768 nan 8.250 nan 0.000 0.441 165 V N 2.273 122.170 119.914 -0.029 0.000 2.588 165 V HA 0.406 4.528 4.120 0.003 0.000 0.304 165 V C -0.864 175.349 176.094 0.198 0.000 1.042 165 V CA -0.815 61.513 62.300 0.046 0.000 0.877 165 V CB 1.494 33.387 31.823 0.117 0.000 0.996 165 V HN 0.172 nan 8.190 nan 0.000 0.425 166 F N 5.209 125.209 119.950 0.082 0.000 2.445 166 F HA 0.421 4.949 4.527 0.002 0.000 0.359 166 F C 0.834 176.780 175.800 0.243 0.000 1.101 166 F CA -0.282 57.917 58.000 0.333 0.000 1.177 166 F CB 0.802 39.974 39.000 0.288 0.000 1.110 166 F HN 0.324 nan 8.300 nan 0.000 0.522 167 I N 3.779 124.142 120.570 -0.345 0.000 2.810 167 I HA 0.330 4.501 4.170 0.003 0.000 0.262 167 I C 1.259 177.073 176.117 -0.506 0.000 1.131 167 I CA 1.118 62.258 61.300 -0.267 0.000 1.453 167 I CB -0.801 37.171 38.000 -0.047 0.000 1.161 167 I HN 0.723 nan 8.210 nan 0.000 0.444 168 G N 0.862 109.084 108.800 -0.963 0.000 2.367 168 G HA2 0.268 4.229 3.960 0.003 0.000 0.272 168 G HA3 0.268 4.229 3.960 0.003 0.000 0.272 168 G C -1.012 173.667 174.900 -0.369 0.000 1.271 168 G CA -0.899 43.821 45.100 -0.633 0.000 0.893 168 G HN -0.018 nan 8.290 nan 0.000 0.485 169 R N -0.483 119.985 120.500 -0.054 0.000 2.532 169 R HA 0.540 4.881 4.340 0.003 0.000 0.297 169 R C -1.400 174.920 176.300 0.033 0.000 0.984 169 R CA -0.728 55.388 56.100 0.027 0.000 0.884 169 R CB 2.244 32.607 30.300 0.106 0.000 1.182 169 R HN 0.474 nan 8.270 nan 0.000 0.442 170 L N 5.329 126.564 121.223 0.019 0.000 2.265 170 L HA 0.438 4.779 4.340 0.003 0.000 0.289 170 L C -2.298 174.581 176.870 0.015 0.000 1.033 170 L CA -1.917 52.955 54.840 0.053 0.000 0.814 170 L CB 1.029 43.119 42.059 0.052 0.000 1.203 170 L HN 0.411 nan 8.230 nan 0.000 0.423 171 P HA -0.063 nan 4.420 nan 0.000 0.259 171 P C -0.782 176.425 177.300 -0.154 0.000 1.163 171 P CA 0.395 63.381 63.100 -0.191 0.000 0.760 171 P CB 0.117 31.550 31.700 -0.445 0.000 0.762 172 I N 4.708 125.263 120.570 -0.024 0.000 2.336 172 I HA 0.283 4.454 4.170 0.003 0.000 0.292 172 I C 1.014 177.180 176.117 0.081 0.000 0.991 172 I CA -1.088 60.275 61.300 0.106 0.000 1.227 172 I CB 0.979 39.099 38.000 0.200 0.000 1.366 172 I HN 0.394 nan 8.210 nan 0.000 0.466 173 M N 6.397 125.792 119.600 -0.342 0.000 2.246 173 M HA 0.128 4.609 4.480 0.003 0.000 0.350 173 M C -0.582 175.627 176.300 -0.151 0.000 1.406 173 M CA -0.374 54.831 55.300 -0.158 0.000 1.089 173 M CB 0.525 32.675 32.600 -0.749 0.000 1.782 173 M HN 0.351 nan 8.290 nan 0.000 0.457 174 L N 5.761 126.852 121.223 -0.220 0.000 2.492 174 L HA 0.031 4.373 4.340 0.003 0.000 0.280 174 L C 1.008 177.792 176.870 -0.143 0.000 1.240 174 L CA 1.076 55.745 54.840 -0.285 0.000 0.831 174 L CB 0.092 41.794 42.059 -0.596 0.000 1.100 174 L HN 0.814 nan 8.230 nan 0.000 0.505 175 R N 0.561 121.015 120.500 -0.075 0.000 3.538 175 R HA -0.203 4.138 4.340 0.003 0.000 0.252 175 R C -0.007 176.315 176.300 0.036 0.000 1.050 175 R CA 0.874 56.976 56.100 0.002 0.000 0.699 175 R CB -1.943 28.364 30.300 0.012 0.000 1.066 175 R HN 0.547 nan 8.270 nan 0.000 0.477 176 S N 0.014 115.746 115.700 0.053 0.000 2.480 176 S HA 0.359 4.830 4.470 0.003 0.000 0.286 176 S C 0.950 175.644 174.600 0.157 0.000 1.180 176 S CA 0.182 58.476 58.200 0.157 0.000 1.075 176 S CB 1.643 65.006 63.200 0.272 0.000 0.996 176 S HN 0.409 nan 8.310 nan 0.000 0.487 177 K N 4.563 125.048 120.400 0.142 0.000 9.127 177 K HA -0.284 4.037 4.320 0.003 0.000 0.501 177 K C -0.612 176.034 176.600 0.076 0.000 0.371 177 K CA 3.039 59.403 56.287 0.127 0.000 1.951 177 K CB -2.051 30.567 32.500 0.197 0.000 0.721 177 K HN 0.902 nan 8.250 nan 0.000 1.023 178 N N -1.549 117.192 118.700 0.068 0.000 2.725 178 N HA 0.216 4.958 4.740 0.003 0.000 0.225 178 N C -0.532 174.965 175.510 -0.021 0.000 1.465 178 N CA 0.041 53.076 53.050 -0.024 0.000 0.830 178 N CB -0.322 38.071 38.487 -0.157 0.000 1.460 178 N HN 0.338 nan 8.380 nan 0.000 0.538 179 C N 0.978 120.360 119.300 0.136 0.000 2.473 179 C HA -0.060 4.401 4.460 0.003 0.000 0.328 179 C C 1.030 176.250 174.990 0.383 0.000 1.512 179 C CA -0.283 58.901 59.018 0.277 0.000 1.511 179 C CB -2.867 24.923 27.740 0.083 0.000 1.491 179 C HN 0.589 nan 8.230 nan 0.000 0.617 180 Y N -0.832 119.597 120.300 0.215 0.000 1.472 180 Y HA -0.453 4.098 4.550 0.002 0.000 0.149 180 Y C 2.105 178.080 175.900 0.125 0.000 0.638 180 Y CA 1.506 59.692 58.100 0.143 0.000 0.821 180 Y CB -1.297 37.266 38.460 0.173 0.000 0.584 180 Y HN 0.222 nan 8.280 nan 0.000 0.809 181 L N -3.065 118.362 121.223 0.340 0.000 3.461 181 L HA -0.464 3.878 4.340 0.003 0.000 0.094 181 L C 1.685 178.624 176.870 0.115 0.000 4.424 181 L CA 1.884 56.838 54.840 0.190 0.000 0.523 181 L CB -1.725 40.429 42.059 0.159 0.000 3.542 181 L HN 0.718 nan 8.230 nan 0.000 0.792 182 S N -0.570 115.194 115.700 0.107 0.000 2.609 182 S HA -0.147 4.324 4.470 0.003 0.000 0.250 182 S C 1.052 175.697 174.600 0.074 0.000 0.974 182 S CA 1.814 60.060 58.200 0.076 0.000 0.962 182 S CB -0.166 63.079 63.200 0.076 0.000 0.756 182 S HN 0.693 nan 8.310 nan 0.000 0.539 183 E N 0.562 120.818 120.200 0.093 0.000 2.453 183 E HA 0.464 4.815 4.350 0.003 0.000 0.211 183 E C 0.658 177.296 176.600 0.063 0.000 0.897 183 E CA 0.401 56.849 56.400 0.080 0.000 1.063 183 E CB 0.518 30.279 29.700 0.102 0.000 1.080 183 E HN 0.591 nan 8.360 nan 0.000 0.512 184 A N 1.566 124.425 122.820 0.064 0.000 2.401 184 A HA 0.394 4.716 4.320 0.003 0.000 0.259 184 A C 0.524 178.114 177.584 0.010 0.000 1.103 184 A CA -0.432 51.628 52.037 0.038 0.000 0.789 184 A CB -0.002 19.020 19.000 0.037 0.000 1.035 184 A HN 0.149 nan 8.150 nan 0.000 0.491 185 T N 0.089 114.645 114.554 0.003 0.000 2.882 185 T HA 0.240 4.591 4.350 0.003 0.000 0.287 185 T C 1.039 175.726 174.700 -0.021 0.000 1.014 185 T CA 0.062 62.158 62.100 -0.005 0.000 1.049 185 T CB 1.056 69.926 68.868 0.003 0.000 1.001 185 T HN 0.759 nan 8.240 nan 0.000 0.525 186 E N 0.884 121.068 120.200 -0.027 0.000 2.068 186 E HA -0.277 4.074 4.350 0.003 0.000 0.207 186 E C 2.284 178.905 176.600 0.035 0.000 1.032 186 E CA 2.119 58.493 56.400 -0.044 0.000 0.839 186 E CB -0.354 29.339 29.700 -0.012 0.000 0.758 186 E HN 0.835 nan 8.360 nan 0.000 0.457 187 S N 0.902 116.662 115.700 0.099 0.000 2.387 187 S HA -0.215 4.256 4.470 0.003 0.000 0.230 187 S C 1.515 176.180 174.600 0.108 0.000 1.035 187 S CA 1.641 59.932 58.200 0.151 0.000 1.014 187 S CB -0.423 62.813 63.200 0.059 0.000 0.836 187 S HN 0.265 nan 8.310 nan 0.000 0.466 188 D N 1.493 121.909 120.400 0.027 0.000 2.264 188 D HA 0.072 4.713 4.640 0.003 0.000 0.208 188 D C 1.830 178.102 176.300 -0.046 0.000 0.966 188 D CA 0.596 54.587 54.000 -0.014 0.000 0.864 188 D CB -0.294 40.492 40.800 -0.023 0.000 0.933 188 D HN 0.399 nan 8.370 nan 0.000 0.499 189 L N -0.509 120.664 121.223 -0.084 0.000 2.095 189 L HA -0.146 4.195 4.340 0.003 0.000 0.204 189 L C 2.209 178.970 176.870 -0.182 0.000 1.080 189 L CA 0.764 55.497 54.840 -0.179 0.000 0.759 189 L CB -0.293 41.589 42.059 -0.295 0.000 0.914 189 L HN 0.018 nan 8.230 nan 0.000 0.439 190 Y N 0.360 120.617 120.300 -0.072 0.000 2.145 190 Y HA -0.243 4.308 4.550 0.002 0.000 0.286 190 Y C 2.571 178.422 175.900 -0.082 0.000 1.145 190 Y CA 1.285 59.340 58.100 -0.075 0.000 1.148 190 Y CB -0.400 38.014 38.460 -0.076 0.000 0.981 190 Y HN 0.015 nan 8.280 nan 0.000 0.507 191 K N 0.047 120.493 120.400 0.077 0.000 2.152 191 K HA -0.164 4.158 4.320 0.003 0.000 0.206 191 K C 1.685 178.240 176.600 -0.075 0.000 1.048 191 K CA 1.268 57.547 56.287 -0.014 0.000 0.933 191 K CB -0.416 32.061 32.500 -0.038 0.000 0.721 191 K HN 0.328 nan 8.250 nan 0.000 0.447 192 L N 0.750 121.911 121.223 -0.103 0.000 2.610 192 L HA -0.011 4.331 4.340 0.003 0.000 0.232 192 L C 0.154 176.974 176.870 -0.083 0.000 1.149 192 L CA 0.400 55.149 54.840 -0.151 0.000 0.872 192 L CB -0.155 41.801 42.059 -0.171 0.000 0.992 192 L HN 0.176 nan 8.230 nan 0.000 0.447 193 K N 0.235 120.605 120.400 -0.051 0.000 3.088 193 K HA -0.234 4.087 4.320 0.003 0.000 0.273 193 K C 0.120 176.696 176.600 -0.040 0.000 1.111 193 K CA 0.660 56.929 56.287 -0.031 0.000 0.803 193 K CB -1.142 31.342 32.500 -0.028 0.000 1.226 193 K HN 0.240 nan 8.250 nan 0.000 0.485 194 E N 0.363 120.519 120.200 -0.073 0.000 2.195 194 E HA 0.294 4.646 4.350 0.003 0.000 0.271 194 E C -0.765 175.750 176.600 -0.142 0.000 0.923 194 E CA -0.869 55.490 56.400 -0.069 0.000 0.790 194 E CB 1.364 31.033 29.700 -0.052 0.000 1.155 194 E HN 0.301 nan 8.360 nan 0.000 0.402 195 C N 6.964 126.219 119.300 -0.075 0.000 2.653 195 C HA 0.265 4.726 4.460 0.003 0.000 0.421 195 C C -1.109 173.774 174.990 -0.178 0.000 1.334 195 C CA -1.406 57.556 59.018 -0.095 0.000 1.885 195 C CB 0.202 27.980 27.740 0.063 0.000 2.645 195 C HN 0.714 nan 8.230 nan 0.000 0.601 196 P HA -0.073 nan 4.420 nan 0.000 0.223 196 P C 1.062 178.158 177.300 -0.340 0.000 1.151 196 P CA 1.602 64.445 63.100 -0.429 0.000 0.787 196 P CB -0.030 31.296 31.700 -0.624 0.000 0.788 197 F N 0.022 119.921 119.950 -0.085 0.000 2.335 197 F HA 0.081 4.609 4.527 0.003 0.000 0.296 197 F C 1.174 177.069 175.800 0.158 0.000 1.091 197 F CA 0.202 58.181 58.000 -0.035 0.000 1.399 197 F CB -1.091 37.747 39.000 -0.270 0.000 1.067 197 F HN -0.185 nan 8.300 nan 0.000 0.520 198 D N 1.199 121.777 120.400 0.297 0.000 2.662 198 D HA -0.066 4.575 4.640 0.003 0.000 0.233 198 D C 0.991 177.422 176.300 0.219 0.000 1.129 198 D CA 0.410 54.577 54.000 0.277 0.000 0.851 198 D CB 0.777 41.705 40.800 0.213 0.000 1.152 198 D HN 0.083 nan 8.370 nan 0.000 0.507 199 M N 1.302 121.047 119.600 0.242 0.000 2.337 199 M HA 0.290 4.772 4.480 0.003 0.000 0.256 199 M C 0.991 177.400 176.300 0.182 0.000 1.075 199 M CA -0.355 55.048 55.300 0.170 0.000 1.024 199 M CB -0.701 31.984 32.600 0.141 0.000 1.429 199 M HN 0.217 nan 8.290 nan 0.000 0.497 200 G N 0.261 109.289 108.800 0.380 0.000 2.939 200 G HA2 0.198 4.159 3.960 0.003 0.000 0.278 200 G HA3 0.198 4.159 3.960 0.003 0.000 0.278 200 G C 0.392 175.490 174.900 0.331 0.000 1.487 200 G CA 0.206 45.567 45.100 0.435 0.000 0.935 200 G HN 1.489 nan 8.290 nan 0.000 0.553 201 G N -1.782 107.178 108.800 0.266 0.000 4.362 201 G HA2 0.578 4.539 3.960 0.003 0.000 0.220 201 G HA3 0.578 4.539 3.960 0.003 0.000 0.220 201 G C 0.047 174.860 174.900 -0.145 0.000 0.795 201 G CA 1.055 46.211 45.100 0.093 0.000 0.920 201 G HN 2.699 nan 8.290 nan 0.000 0.715 202 Y N -0.707 119.265 120.300 -0.545 0.000 3.157 202 Y HA 0.328 4.880 4.550 0.002 0.000 0.236 202 Y C 0.127 175.866 175.900 -0.268 0.000 0.717 202 Y CA -1.427 56.355 58.100 -0.529 0.000 1.277 202 Y CB -1.417 36.873 38.460 -0.282 0.000 1.092 202 Y HN 1.092 nan 8.280 nan 0.000 0.502 203 F N 2.037 121.736 119.950 -0.418 0.000 2.304 203 F HA 0.296 4.824 4.527 0.002 0.000 0.191 203 F C -0.514 175.245 175.800 -0.069 0.000 0.702 203 F CA 0.140 57.997 58.000 -0.237 0.000 0.914 203 F CB -0.160 38.745 39.000 -0.159 0.000 0.845 203 F HN 0.176 nan 8.300 nan 0.000 0.668 204 I N 0.854 121.946 120.570 0.870 0.000 2.639 204 I HA 0.350 4.521 4.170 0.003 0.000 0.293 204 I C -1.513 174.748 176.117 0.241 0.000 1.762 204 I CA -0.515 60.989 61.300 0.341 0.000 0.993 204 I CB 1.727 39.818 38.000 0.151 0.000 1.518 204 I HN 0.620 nan 8.210 nan 0.000 0.517 205 I N 4.909 125.586 120.570 0.178 0.000 2.722 205 I HA 0.348 4.520 4.170 0.003 0.000 0.292 205 I C -0.097 176.074 176.117 0.090 0.000 1.267 205 I CA -0.816 60.556 61.300 0.119 0.000 1.036 205 I CB 1.803 39.872 38.000 0.116 0.000 1.281 205 I HN 0.799 nan 8.210 nan 0.000 0.423 206 N N 3.791 122.529 118.700 0.065 0.000 2.696 206 N HA -0.253 4.489 4.740 0.003 0.000 0.249 206 N C 1.084 176.631 175.510 0.062 0.000 1.090 206 N CA 1.179 54.257 53.050 0.047 0.000 0.716 206 N CB -1.042 37.472 38.487 0.044 0.000 1.020 206 N HN 1.286 nan 8.380 nan 0.000 0.548 207 G N -1.260 107.584 108.800 0.074 0.000 2.225 207 G HA2 -0.345 3.616 3.960 0.003 0.000 0.254 207 G HA3 -0.345 3.616 3.960 0.003 0.000 0.254 207 G C 0.096 175.052 174.900 0.093 0.000 0.988 207 G CA 0.688 45.839 45.100 0.085 0.000 0.625 207 G HN 1.277 nan 8.290 nan 0.000 0.527 208 S N 0.251 116.006 115.700 0.091 0.000 2.508 208 S HA 0.664 5.136 4.470 0.003 0.000 0.284 208 S C -0.173 174.497 174.600 0.116 0.000 1.192 208 S CA -0.546 57.706 58.200 0.086 0.000 1.070 208 S CB 2.027 65.264 63.200 0.062 0.000 1.004 208 S HN 0.415 nan 8.310 nan 0.000 0.493 209 E N 2.246 122.520 120.200 0.124 0.000 2.316 209 E HA 0.277 4.629 4.350 0.003 0.000 0.275 209 E C -0.411 176.276 176.600 0.144 0.000 1.029 209 E CA -0.483 56.037 56.400 0.201 0.000 0.871 209 E CB 0.571 30.456 29.700 0.308 0.000 1.022 209 E HN 0.421 nan 8.360 nan 0.000 0.418 210 K N 1.972 122.471 120.400 0.165 0.000 2.397 210 K HA 0.425 4.746 4.320 0.003 0.000 0.253 210 K C -0.887 175.702 176.600 -0.018 0.000 0.932 210 K CA -0.869 55.484 56.287 0.110 0.000 0.795 210 K CB 2.152 34.783 32.500 0.220 0.000 1.159 210 K HN 0.212 nan 8.250 nan 0.000 0.424 211 V N 3.500 123.406 119.914 -0.012 0.000 2.483 211 V HA 0.388 4.510 4.120 0.003 0.000 0.295 211 V C 0.281 176.310 176.094 -0.109 0.000 1.035 211 V CA -0.998 61.250 62.300 -0.087 0.000 0.896 211 V CB 1.582 33.416 31.823 0.018 0.000 0.986 211 V HN 0.552 nan 8.190 nan 0.000 0.447 212 L N 5.455 126.574 121.223 -0.173 0.000 2.278 212 L HA 0.407 4.748 4.340 0.003 0.000 0.287 212 L C -0.318 176.438 176.870 -0.190 0.000 1.072 212 L CA -0.281 54.456 54.840 -0.171 0.000 0.819 212 L CB 0.787 42.791 42.059 -0.091 0.000 1.176 212 L HN 0.446 nan 8.230 nan 0.000 0.435 213 I N 3.691 124.123 120.570 -0.229 0.000 2.352 213 I HA 0.167 4.339 4.170 0.003 0.000 0.290 213 I C 0.895 176.900 176.117 -0.187 0.000 1.036 213 I CA -0.329 60.840 61.300 -0.219 0.000 1.336 213 I CB 1.339 39.203 38.000 -0.227 0.000 1.407 213 I HN 0.602 nan 8.210 nan 0.000 0.497 214 A N 8.061 130.795 122.820 -0.144 0.000 2.573 214 A HA 0.006 4.327 4.320 0.003 0.000 0.250 214 A C 0.458 177.982 177.584 -0.100 0.000 1.049 214 A CA 0.059 52.033 52.037 -0.104 0.000 0.767 214 A CB -0.189 18.764 19.000 -0.078 0.000 0.965 214 A HN 0.665 nan 8.150 nan 0.000 0.514 215 Q N 1.255 120.999 119.800 -0.092 0.000 2.222 215 Q HA 0.397 4.738 4.340 0.003 0.000 0.252 215 Q C -0.213 175.758 176.000 -0.047 0.000 0.926 215 Q CA -0.188 55.572 55.803 -0.072 0.000 0.899 215 Q CB 1.824 30.518 28.738 -0.074 0.000 1.250 215 Q HN 0.858 nan 8.270 nan 0.000 0.441 216 E N 2.305 122.485 120.200 -0.033 0.000 2.191 216 E HA 0.378 4.730 4.350 0.003 0.000 0.263 216 E C -0.772 175.814 176.600 -0.023 0.000 0.881 216 E CA -0.582 55.799 56.400 -0.032 0.000 0.757 216 E CB 1.130 30.830 29.700 -0.000 0.000 1.147 216 E HN 0.530 nan 8.360 nan 0.000 0.414 217 R N 1.820 122.299 120.500 -0.035 0.000 2.905 217 R HA 0.445 4.786 4.340 0.003 0.000 0.260 217 R C -1.143 175.135 176.300 -0.037 0.000 1.086 217 R CA -0.609 55.478 56.100 -0.022 0.000 0.978 217 R CB 0.960 31.254 30.300 -0.009 0.000 1.215 217 R HN 0.493 nan 8.270 nan 0.000 0.480 218 S N 0.492 116.181 115.700 -0.019 0.000 2.528 218 S HA 0.507 4.978 4.470 0.003 0.000 0.277 218 S C 0.440 175.026 174.600 -0.025 0.000 1.297 218 S CA -0.464 57.723 58.200 -0.021 0.000 1.052 218 S CB 1.010 64.216 63.200 0.009 0.000 0.917 218 S HN 0.798 nan 8.310 nan 0.000 0.492 219 A N 3.346 126.141 122.820 -0.041 0.000 2.498 219 A HA 0.564 4.885 4.320 0.003 0.000 0.239 219 A C 0.952 178.531 177.584 -0.007 0.000 1.068 219 A CA -0.002 52.017 52.037 -0.030 0.000 0.766 219 A CB -0.544 18.427 19.000 -0.050 0.000 1.003 219 A HN 1.226 nan 8.150 nan 0.000 0.497 220 G N -0.060 108.735 108.800 -0.008 0.000 2.547 220 G HA2 0.425 4.386 3.960 0.003 0.000 0.291 220 G HA3 0.425 4.386 3.960 0.003 0.000 0.291 220 G C 0.124 174.998 174.900 -0.042 0.000 1.211 220 G CA -0.079 45.006 45.100 -0.026 0.000 0.950 220 G HN 1.048 nan 8.290 nan 0.000 0.504 221 N N -2.210 116.422 118.700 -0.114 0.000 2.776 221 N HA -0.162 4.580 4.740 0.003 0.000 0.250 221 N C -0.413 175.092 175.510 -0.009 0.000 1.112 221 N CA 1.210 54.125 53.050 -0.225 0.000 0.733 221 N CB -1.565 36.682 38.487 -0.401 0.000 1.097 221 N HN 0.583 nan 8.380 nan 0.000 0.558 222 I N -1.462 119.141 120.570 0.055 0.000 2.569 222 I HA 0.454 4.625 4.170 0.003 0.000 0.296 222 I C 0.268 176.446 176.117 0.102 0.000 1.028 222 I CA -1.303 60.051 61.300 0.090 0.000 1.082 222 I CB 2.154 40.198 38.000 0.072 0.000 1.264 222 I HN -0.189 nan 8.210 nan 0.000 0.429 223 V N 5.449 125.422 119.914 0.099 0.000 2.432 223 V HA 0.347 4.469 4.120 0.003 0.000 0.271 223 V C -0.450 175.688 176.094 0.073 0.000 1.046 223 V CA 0.252 62.606 62.300 0.090 0.000 0.945 223 V CB 1.142 33.026 31.823 0.102 0.000 0.992 223 V HN 0.797 nan 8.190 nan 0.000 0.471 224 Q N 4.344 124.214 119.800 0.118 0.000 2.347 224 Q HA 0.650 4.991 4.340 0.003 0.000 0.271 224 Q C -1.509 174.707 176.000 0.360 0.000 1.064 224 Q CA -0.674 55.302 55.803 0.288 0.000 0.800 224 Q CB 2.731 31.785 28.738 0.526 0.000 1.304 224 Q HN 0.656 nan 8.270 nan 0.000 0.438 225 V N 2.118 122.249 119.914 0.362 0.000 2.513 225 V HA 0.596 4.717 4.120 0.003 0.000 0.299 225 V C -1.028 175.360 176.094 0.491 0.000 1.035 225 V CA -0.681 61.816 62.300 0.328 0.000 0.889 225 V CB 1.021 32.868 31.823 0.041 0.000 0.988 225 V HN 0.570 nan 8.190 nan 0.000 0.440 226 F N 2.236 122.155 119.950 -0.051 0.000 2.579 226 F HA 0.489 5.017 4.527 0.002 0.000 0.325 226 F C 0.320 176.125 175.800 0.008 0.000 1.162 226 F CA -1.455 56.525 58.000 -0.032 0.000 0.946 226 F CB 1.765 40.756 39.000 -0.015 0.000 1.211 226 F HN 0.350 nan 8.300 nan 0.000 0.447 227 K N 3.690 124.155 120.400 0.109 0.000 2.412 227 K HA 0.222 4.543 4.320 0.003 0.000 0.281 227 K C 0.160 176.863 176.600 0.171 0.000 1.027 227 K CA -0.273 56.126 56.287 0.186 0.000 0.989 227 K CB 1.199 33.739 32.500 0.067 0.000 0.935 227 K HN 0.544 nan 8.250 nan 0.000 0.475 228 K N 1.098 121.602 120.400 0.173 0.000 2.132 228 K HA 0.345 4.666 4.320 0.003 0.000 0.241 228 K C 0.291 176.929 176.600 0.063 0.000 1.000 228 K CA -0.524 55.819 56.287 0.094 0.000 0.911 228 K CB 1.525 34.056 32.500 0.052 0.000 1.093 228 K HN 0.691 nan 8.250 nan 0.000 0.460 229 A N 0.724 123.570 122.820 0.044 0.000 2.245 229 A HA 0.207 4.529 4.320 0.003 0.000 0.279 229 A C 1.117 178.716 177.584 0.025 0.000 1.290 229 A CA 1.144 53.201 52.037 0.033 0.000 0.819 229 A CB -0.430 18.587 19.000 0.028 0.000 1.173 229 A HN 0.829 nan 8.150 nan 0.000 0.508 230 A N -0.707 122.126 122.820 0.021 0.000 1.871 230 A HA 0.177 4.498 4.320 0.003 0.000 0.211 230 A C -0.102 177.491 177.584 0.016 0.000 1.207 230 A CA 1.213 53.260 52.037 0.017 0.000 0.620 230 A CB -1.501 17.509 19.000 0.017 0.000 0.860 230 A HN 0.638 nan 8.150 nan 0.000 0.450 231 P HA 0.056 nan 4.420 nan 0.000 0.249 231 P C 0.064 177.376 177.300 0.020 0.000 1.241 231 P CA 0.643 63.754 63.100 0.019 0.000 0.781 231 P CB -0.451 31.260 31.700 0.019 0.000 1.088 232 S N 0.909 116.619 115.700 0.016 0.000 2.513 232 S HA 0.308 4.779 4.470 0.003 0.000 0.276 232 S C -1.056 173.552 174.600 0.013 0.000 1.254 232 S CA -1.092 57.115 58.200 0.012 0.000 1.053 232 S CB 1.116 64.316 63.200 0.000 0.000 0.958 232 S HN -0.067 nan 8.310 nan 0.000 0.491 233 P HA -0.015 nan 4.420 nan 0.000 0.217 233 P C 0.843 178.167 177.300 0.040 0.000 1.150 233 P CA 0.763 63.909 63.100 0.077 0.000 0.832 233 P CB -0.326 31.473 31.700 0.164 0.000 0.787 234 I N -2.440 118.087 120.570 -0.072 0.000 2.532 234 I HA 0.322 4.494 4.170 0.003 0.000 0.292 234 I C 1.435 177.472 176.117 -0.133 0.000 1.014 234 I CA -0.435 60.748 61.300 -0.195 0.000 1.340 234 I CB 1.589 39.352 38.000 -0.394 0.000 1.422 234 I HN -0.190 nan 8.210 nan 0.000 0.528 235 S N 3.442 119.028 115.700 -0.190 0.000 2.517 235 S HA 0.172 4.644 4.470 0.003 0.000 0.228 235 S C 0.594 175.095 174.600 -0.165 0.000 1.060 235 S CA 0.133 58.168 58.200 -0.276 0.000 0.937 235 S CB -0.054 62.817 63.200 -0.548 0.000 0.840 235 S HN 0.820 nan 8.310 nan 0.000 0.546 236 H N -0.116 118.941 119.070 -0.022 0.000 2.747 236 H HA 0.800 5.357 4.556 0.003 0.000 0.371 236 H C -1.278 174.037 175.328 -0.023 0.000 1.161 236 H CA -0.951 55.097 56.048 0.001 0.000 1.167 236 H CB 1.673 31.441 29.762 0.010 0.000 1.732 236 H HN 0.176 nan 8.280 nan 0.000 0.544 237 V N 0.708 120.708 119.914 0.143 0.000 2.733 237 V HA 0.574 4.695 4.120 0.003 0.000 0.306 237 V C -0.251 175.856 176.094 0.021 0.000 1.084 237 V CA -1.002 61.313 62.300 0.025 0.000 0.905 237 V CB 1.819 33.609 31.823 -0.056 0.000 1.010 237 V HN 0.978 nan 8.190 nan 0.000 0.424 238 A N 3.513 126.331 122.820 -0.003 0.000 2.249 238 A HA 0.766 5.088 4.320 0.003 0.000 0.314 238 A C -0.322 177.226 177.584 -0.060 0.000 1.290 238 A CA -0.366 51.666 52.037 -0.009 0.000 0.893 238 A CB 0.604 19.608 19.000 0.007 0.000 1.165 238 A HN 0.852 nan 8.150 nan 0.000 0.530 239 E N 1.987 122.116 120.200 -0.119 0.000 2.222 239 E HA 0.669 5.020 4.350 0.003 0.000 0.267 239 E C -1.705 174.859 176.600 -0.061 0.000 0.884 239 E CA -0.533 55.774 56.400 -0.154 0.000 0.764 239 E CB 1.687 31.167 29.700 -0.366 0.000 1.169 239 E HN 0.672 nan 8.360 nan 0.000 0.413 240 I N 3.518 124.077 120.570 -0.018 0.000 2.548 240 I HA 0.328 4.500 4.170 0.003 0.000 0.287 240 I C -0.877 175.250 176.117 0.017 0.000 1.103 240 I CA -0.596 60.727 61.300 0.037 0.000 1.049 240 I CB 1.024 39.109 38.000 0.142 0.000 1.232 240 I HN 0.505 nan 8.210 nan 0.000 0.429 241 R N 4.982 125.484 120.500 0.002 0.000 4.138 241 R HA 0.175 4.517 4.340 0.003 0.000 0.206 241 R C 0.182 176.477 176.300 -0.007 0.000 1.667 241 R CA -0.208 55.890 56.100 -0.003 0.000 1.481 241 R CB -0.136 30.159 30.300 -0.009 0.000 1.388 241 R HN 0.667 nan 8.270 nan 0.000 0.776 242 S N 0.305 116.016 115.700 0.017 0.000 2.509 242 S HA 0.377 4.849 4.470 0.003 0.000 0.287 242 S C 0.182 174.807 174.600 0.042 0.000 1.248 242 S CA -0.646 57.576 58.200 0.036 0.000 1.089 242 S CB 1.172 64.474 63.200 0.170 0.000 0.900 242 S HN 0.453 nan 8.310 nan 0.000 0.496 243 A N 3.857 126.677 122.820 0.000 0.000 2.547 243 A HA 0.661 4.982 4.320 0.003 0.000 0.297 243 A C -0.340 177.256 177.584 0.020 0.000 1.056 243 A CA -1.025 51.034 52.037 0.037 0.000 0.688 243 A CB 0.875 19.898 19.000 0.037 0.000 1.282 243 A HN 0.755 nan 8.150 nan 0.000 0.400 244 L N 0.777 122.033 121.223 0.055 0.000 2.470 244 L HA 0.332 4.674 4.340 0.003 0.000 0.243 244 L C 1.799 178.689 176.870 0.034 0.000 1.227 244 L CA 0.418 55.285 54.840 0.043 0.000 0.824 244 L CB 0.509 42.603 42.059 0.058 0.000 1.175 244 L HN 1.017 nan 8.230 nan 0.000 0.503 245 E N -0.916 119.301 120.200 0.028 0.000 2.391 245 E HA 0.112 4.463 4.350 0.003 0.000 0.206 245 E C -0.067 176.554 176.600 0.036 0.000 0.851 245 E CA -0.077 56.340 56.400 0.028 0.000 1.059 245 E CB 0.442 30.152 29.700 0.016 0.000 1.065 245 E HN 0.379 nan 8.360 nan 0.000 0.512 246 K N 0.755 121.177 120.400 0.035 0.000 2.753 246 K HA 0.450 4.772 4.320 0.003 0.000 0.185 246 K C -0.955 175.674 176.600 0.048 0.000 1.071 246 K CA -0.175 56.136 56.287 0.039 0.000 0.999 246 K CB 1.683 34.200 32.500 0.028 0.000 1.244 246 K HN 0.241 nan 8.250 nan 0.000 0.594 247 G N 1.045 109.886 108.800 0.068 0.000 3.100 247 G HA2 0.132 4.094 3.960 0.003 0.000 0.233 247 G HA3 0.132 4.094 3.960 0.003 0.000 0.233 247 G C -0.235 174.748 174.900 0.137 0.000 3.794 247 G CA -0.023 45.131 45.100 0.089 0.000 0.453 247 G HN 0.354 nan 8.290 nan 0.000 0.329 248 S N -0.687 115.088 115.700 0.124 0.000 3.521 248 S HA -0.245 4.227 4.470 0.003 0.000 0.631 248 S C 0.515 175.157 174.600 0.070 0.000 2.557 248 S CA 1.662 59.931 58.200 0.116 0.000 3.244 248 S CB -0.433 62.898 63.200 0.218 0.000 0.300 248 S HN 1.930 nan 8.310 nan 0.000 1.439 249 R N 0.424 120.916 120.500 -0.014 0.000 2.818 249 R HA 0.510 4.851 4.340 0.003 0.000 0.258 249 R C -1.885 174.308 176.300 -0.178 0.000 1.797 249 R CA 0.012 56.080 56.100 -0.053 0.000 1.532 249 R CB -0.139 30.117 30.300 -0.074 0.000 1.413 249 R HN 0.321 nan 8.270 nan 0.000 0.622 250 F N 4.285 124.247 119.950 0.020 0.000 2.332 250 F HA 0.433 4.962 4.527 0.003 0.000 0.368 250 F C 0.240 176.051 175.800 0.018 0.000 1.110 250 F CA -0.819 57.194 58.000 0.022 0.000 1.087 250 F CB 1.133 40.141 39.000 0.014 0.000 1.235 250 F HN 0.169 nan 8.300 nan 0.000 0.470 251 I N 3.036 123.692 120.570 0.144 0.000 2.316 251 I HA 0.093 4.264 4.170 0.003 0.000 0.286 251 I C 0.418 176.600 176.117 0.109 0.000 1.107 251 I CA -0.041 61.317 61.300 0.096 0.000 1.219 251 I CB 0.523 38.551 38.000 0.047 0.000 1.455 251 I HN 0.392 nan 8.210 nan 0.000 0.498 252 S N 5.341 121.106 115.700 0.108 0.000 2.592 252 S HA 0.303 4.774 4.470 0.003 0.000 0.305 252 S C 0.505 175.131 174.600 0.043 0.000 1.118 252 S CA -0.527 57.723 58.200 0.084 0.000 1.075 252 S CB -0.142 63.094 63.200 0.060 0.000 1.107 252 S HN 0.654 nan 8.310 nan 0.000 0.503 253 T N 3.604 118.182 114.554 0.040 0.000 2.851 253 T HA 0.509 4.860 4.350 0.003 0.000 0.298 253 T C -0.296 174.409 174.700 0.008 0.000 0.977 253 T CA -0.722 61.386 62.100 0.014 0.000 1.126 253 T CB 0.895 69.766 68.868 0.004 0.000 0.916 253 T HN 0.533 nan 8.240 nan 0.000 0.529 254 L N 2.453 123.671 121.223 -0.009 0.000 2.362 254 L HA 0.488 4.829 4.340 0.003 0.000 0.275 254 L C -0.641 176.221 176.870 -0.012 0.000 0.998 254 L CA -0.429 54.404 54.840 -0.010 0.000 0.820 254 L CB 2.001 44.027 42.059 -0.055 0.000 1.270 254 L HN 0.750 nan 8.230 nan 0.000 0.415 255 Q N 3.817 123.617 119.800 0.001 0.000 2.316 255 Q HA 0.585 4.926 4.340 0.003 0.000 0.264 255 Q C -1.349 174.662 176.000 0.017 0.000 0.987 255 Q CA -0.866 54.927 55.803 -0.016 0.000 0.852 255 Q CB 2.808 31.525 28.738 -0.035 0.000 1.287 255 Q HN 0.515 nan 8.270 nan 0.000 0.448 256 V N 3.834 123.755 119.914 0.011 0.000 2.275 256 V HA 0.252 4.373 4.120 0.003 0.000 0.272 256 V C -0.295 175.806 176.094 0.013 0.000 1.028 256 V CA -0.609 61.715 62.300 0.040 0.000 0.810 256 V CB 0.626 32.482 31.823 0.055 0.000 1.043 256 V HN 0.609 nan 8.190 nan 0.000 0.453 257 K N 3.594 123.989 120.400 -0.009 0.000 2.098 257 K HA 0.630 4.952 4.320 0.003 0.000 0.261 257 K C -0.778 175.789 176.600 -0.056 0.000 0.987 257 K CA -0.891 55.331 56.287 -0.109 0.000 0.916 257 K CB 1.945 34.254 32.500 -0.318 0.000 1.039 257 K HN 0.378 nan 8.250 nan 0.000 0.455 258 L N 3.160 124.324 121.223 -0.099 0.000 2.433 258 L HA 0.289 4.630 4.340 0.003 0.000 0.256 258 L C -1.171 175.663 176.870 -0.060 0.000 1.063 258 L CA -0.389 54.442 54.840 -0.015 0.000 0.922 258 L CB -0.105 41.956 42.059 0.003 0.000 1.238 258 L HN 0.493 nan 8.230 nan 0.000 0.466 259 Y N 2.962 123.254 120.300 -0.014 0.000 2.139 259 Y HA 0.400 4.952 4.550 0.003 0.000 0.368 259 Y C 1.534 177.410 175.900 -0.040 0.000 1.260 259 Y CA 0.966 59.054 58.100 -0.020 0.000 1.696 259 Y CB 0.212 38.672 38.460 -0.001 0.000 1.439 259 Y HN 0.801 nan 8.280 nan 0.000 0.707 260 G N 1.531 110.434 108.800 0.171 0.000 3.347 260 G HA2 -0.259 3.702 3.960 0.003 0.000 0.597 260 G HA3 -0.259 3.702 3.960 0.003 0.000 0.597 260 G C -0.257 174.645 174.900 0.003 0.000 0.831 260 G CA -0.351 44.791 45.100 0.072 0.000 0.778 260 G HN 0.695 nan 8.290 nan 0.000 0.459 261 R N 1.420 121.918 120.500 -0.003 0.000 2.822 261 R HA 0.183 4.525 4.340 0.003 0.000 0.277 261 R C 0.884 177.169 176.300 -0.025 0.000 1.102 261 R CA -0.182 55.901 56.100 -0.028 0.000 1.207 261 R CB 0.333 30.628 30.300 -0.009 0.000 1.139 261 R HN 0.716 nan 8.270 nan 0.000 0.557 262 E N -0.236 119.948 120.200 -0.026 0.000 2.351 262 E HA 0.048 4.399 4.350 0.003 0.000 0.266 262 E C 0.330 176.932 176.600 0.003 0.000 1.031 262 E CA 1.001 57.396 56.400 -0.007 0.000 0.911 262 E CB 0.293 29.995 29.700 0.003 0.000 0.986 262 E HN 0.771 nan 8.360 nan 0.000 0.446 263 G N 3.565 112.369 108.800 0.007 0.000 2.659 263 G HA2 -0.294 3.668 3.960 0.003 0.000 0.212 263 G HA3 -0.294 3.668 3.960 0.003 0.000 0.212 263 G C 0.412 175.318 174.900 0.010 0.000 1.226 263 G CA 0.043 45.150 45.100 0.010 0.000 0.739 263 G HN 0.638 nan 8.290 nan 0.000 0.528 264 S N 2.279 117.984 115.700 0.009 0.000 2.737 264 S HA 0.404 4.875 4.470 0.003 0.000 0.315 264 S C 1.154 175.761 174.600 0.012 0.000 1.236 264 S CA 0.902 59.109 58.200 0.011 0.000 1.093 264 S CB -0.197 63.012 63.200 0.015 0.000 0.832 264 S HN 1.739 nan 8.310 nan 0.000 0.507 265 S N 4.573 120.279 115.700 0.010 0.000 2.558 265 S HA 0.450 4.922 4.470 0.003 0.000 0.288 265 S C 0.585 175.189 174.600 0.007 0.000 1.318 265 S CA -0.362 57.843 58.200 0.008 0.000 1.056 265 S CB 0.501 63.704 63.200 0.005 0.000 0.853 265 S HN 2.033 nan 8.310 nan 0.000 0.505 266 A N 2.016 124.840 122.820 0.006 0.000 1.936 266 A HA -0.173 4.149 4.320 0.003 0.000 0.254 266 A C 0.438 178.030 177.584 0.013 0.000 1.352 266 A CA 0.318 52.357 52.037 0.004 0.000 0.724 266 A CB -1.569 17.427 19.000 -0.008 0.000 1.196 266 A HN 0.804 nan 8.150 nan 0.000 0.283 267 R N 1.415 121.927 120.500 0.020 0.000 2.441 267 R HA 0.185 4.527 4.340 0.003 0.000 0.300 267 R C 0.931 177.262 176.300 0.052 0.000 1.284 267 R CA 0.715 56.838 56.100 0.037 0.000 1.069 267 R CB 0.160 30.474 30.300 0.023 0.000 1.087 267 R HN 0.771 nan 8.270 nan 0.000 0.519 268 T N 2.482 117.075 114.554 0.065 0.000 2.860 268 T HA 0.296 4.647 4.350 0.003 0.000 0.299 268 T C 0.397 175.189 174.700 0.153 0.000 1.045 268 T CA -0.266 61.879 62.100 0.075 0.000 1.071 268 T CB 0.496 69.377 68.868 0.022 0.000 0.985 268 T HN 0.368 nan 8.240 nan 0.000 0.537 269 I N 3.673 124.330 120.570 0.146 0.000 2.389 269 I HA 0.455 4.626 4.170 0.003 0.000 0.288 269 I C 0.182 176.421 176.117 0.204 0.000 0.999 269 I CA -0.851 60.558 61.300 0.183 0.000 1.129 269 I CB 1.789 39.870 38.000 0.135 0.000 1.288 269 I HN 0.602 nan 8.210 nan 0.000 0.444 270 K N 4.306 124.875 120.400 0.282 0.000 2.350 270 K HA 0.919 5.241 4.320 0.003 0.000 0.241 270 K C -1.010 175.708 176.600 0.196 0.000 0.994 270 K CA -0.846 55.591 56.287 0.249 0.000 0.839 270 K CB 2.716 35.401 32.500 0.308 0.000 1.244 270 K HN 0.637 nan 8.250 nan 0.000 0.443 271 A N 0.561 123.471 122.820 0.151 0.000 2.454 271 A HA 0.628 4.950 4.320 0.003 0.000 0.302 271 A C -1.099 176.549 177.584 0.106 0.000 1.079 271 A CA -0.707 51.402 52.037 0.120 0.000 0.731 271 A CB 1.541 20.616 19.000 0.126 0.000 1.299 271 A HN 0.553 nan 8.150 nan 0.000 0.413 272 T N 2.291 116.900 114.554 0.091 0.000 2.758 272 T HA 0.577 4.928 4.350 0.003 0.000 0.285 272 T C -0.171 174.584 174.700 0.092 0.000 0.981 272 T CA -0.161 61.987 62.100 0.080 0.000 0.965 272 T CB 0.293 69.198 68.868 0.061 0.000 0.927 272 T HN 0.452 nan 8.240 nan 0.000 0.448 273 L N 4.225 125.507 121.223 0.098 0.000 2.352 273 L HA 0.425 4.767 4.340 0.003 0.000 0.269 273 L C -1.567 175.370 176.870 0.113 0.000 1.034 273 L CA -2.541 52.375 54.840 0.127 0.000 0.806 273 L CB 0.858 42.989 42.059 0.119 0.000 1.244 273 L HN 0.334 nan 8.230 nan 0.000 0.447 274 P HA -0.156 nan 4.420 nan 0.000 0.198 274 P C 1.119 178.571 177.300 0.254 0.000 1.043 274 P CA 0.936 64.134 63.100 0.162 0.000 0.892 274 P CB -0.049 31.727 31.700 0.126 0.000 0.701 275 Y N -0.936 119.384 120.300 0.033 0.000 2.446 275 Y HA -0.108 4.443 4.550 0.002 0.000 0.287 275 Y C 1.732 177.675 175.900 0.071 0.000 1.159 275 Y CA -0.296 57.835 58.100 0.051 0.000 1.297 275 Y CB -1.607 36.862 38.460 0.016 0.000 0.974 275 Y HN -0.039 nan 8.280 nan 0.000 0.557 276 I N -0.089 120.598 120.570 0.195 0.000 3.363 276 I HA -0.118 4.054 4.170 0.003 0.000 0.234 276 I C 1.378 177.549 176.117 0.091 0.000 1.263 276 I CA 0.516 61.890 61.300 0.122 0.000 0.921 276 I CB 0.529 38.567 38.000 0.063 0.000 1.614 276 I HN 0.002 nan 8.210 nan 0.000 0.879 277 K N -0.445 119.989 120.400 0.057 0.000 2.585 277 K HA 0.151 4.473 4.320 0.003 0.000 0.198 277 K C 0.290 176.910 176.600 0.034 0.000 1.403 277 K CA -0.143 56.171 56.287 0.044 0.000 1.021 277 K CB 0.406 32.929 32.500 0.039 0.000 1.558 277 K HN 0.579 nan 8.250 nan 0.000 0.524 278 Q N 0.896 120.703 119.800 0.012 0.000 2.199 278 Q HA 0.113 4.454 4.340 0.003 0.000 0.205 278 Q C -1.138 174.868 176.000 0.010 0.000 1.001 278 Q CA -0.501 55.308 55.803 0.010 0.000 1.019 278 Q CB 1.212 29.943 28.738 -0.012 0.000 1.132 278 Q HN -0.054 nan 8.270 nan 0.000 0.530 279 D N 0.640 121.059 120.400 0.032 0.000 2.193 279 D HA 0.381 5.023 4.640 0.003 0.000 0.249 279 D C -0.670 175.640 176.300 0.016 0.000 1.034 279 D CA -0.192 53.844 54.000 0.061 0.000 0.902 279 D CB 1.061 41.956 40.800 0.159 0.000 1.182 279 D HN 0.296 nan 8.370 nan 0.000 0.436 280 I N 2.126 122.712 120.570 0.026 0.000 2.406 280 I HA 0.281 4.453 4.170 0.003 0.000 0.290 280 I C -2.365 173.811 176.117 0.098 0.000 0.999 280 I CA -2.660 58.642 61.300 0.003 0.000 1.124 280 I CB 1.317 39.282 38.000 -0.059 0.000 1.289 280 I HN -0.092 nan 8.210 nan 0.000 0.441 281 P HA 0.135 nan 4.420 nan 0.000 0.269 281 P C 1.105 178.496 177.300 0.152 0.000 1.209 281 P CA -0.167 63.027 63.100 0.157 0.000 0.776 281 P CB 0.681 32.481 31.700 0.167 0.000 0.876 282 I N 1.896 122.567 120.570 0.168 0.000 2.394 282 I HA -0.180 3.991 4.170 0.003 0.000 0.251 282 I C 1.795 178.105 176.117 0.321 0.000 1.136 282 I CA 1.212 62.628 61.300 0.193 0.000 1.425 282 I CB -1.536 36.627 38.000 0.271 0.000 1.079 282 I HN 0.155 nan 8.210 nan 0.000 0.425 283 V N -0.201 119.891 119.914 0.296 0.000 2.594 283 V HA -0.167 3.954 4.120 0.003 0.000 0.253 283 V C 2.389 178.626 176.094 0.238 0.000 1.069 283 V CA 1.516 63.984 62.300 0.279 0.000 1.082 283 V CB -1.115 30.789 31.823 0.135 0.000 0.680 283 V HN 0.483 nan 8.190 nan 0.000 0.469 284 I N -0.078 120.609 120.570 0.196 0.000 2.406 284 I HA -0.069 4.103 4.170 0.003 0.000 0.249 284 I C 2.642 178.819 176.117 0.100 0.000 1.122 284 I CA 1.125 62.529 61.300 0.173 0.000 1.431 284 I CB -0.931 37.221 38.000 0.254 0.000 1.087 284 I HN 0.267 nan 8.210 nan 0.000 0.424 285 I N 1.244 121.833 120.570 0.033 0.000 2.090 285 I HA -0.273 3.899 4.170 0.003 0.000 0.236 285 I C 2.711 178.740 176.117 -0.148 0.000 1.064 285 I CA 1.678 62.889 61.300 -0.147 0.000 1.324 285 I CB -1.404 36.435 38.000 -0.268 0.000 1.044 285 I HN 0.050 nan 8.210 nan 0.000 0.399 286 F N 1.386 121.337 119.950 0.001 0.000 2.032 286 F HA -0.270 4.259 4.527 0.003 0.000 0.297 286 F C 2.842 178.638 175.800 -0.006 0.000 1.125 286 F CA 1.830 59.833 58.000 0.005 0.000 1.202 286 F CB -1.068 37.923 39.000 -0.014 0.000 0.958 286 F HN 0.017 nan 8.300 nan 0.000 0.491 287 R N -0.070 120.557 120.500 0.211 0.000 2.226 287 R HA -0.187 4.155 4.340 0.003 0.000 0.246 287 R C 2.246 178.588 176.300 0.070 0.000 1.161 287 R CA 1.002 57.171 56.100 0.115 0.000 0.997 287 R CB -0.697 29.664 30.300 0.102 0.000 0.870 287 R HN 0.377 nan 8.270 nan 0.000 0.465 288 A N 0.633 123.475 122.820 0.037 0.000 1.929 288 A HA -0.046 4.276 4.320 0.003 0.000 0.216 288 A C 2.057 179.623 177.584 -0.030 0.000 1.176 288 A CA 0.788 52.817 52.037 -0.014 0.000 0.628 288 A CB -0.214 18.743 19.000 -0.072 0.000 0.816 288 A HN 0.174 nan 8.150 nan 0.000 0.444 289 L N -1.800 119.407 121.223 -0.027 0.000 2.109 289 L HA 0.086 4.428 4.340 0.003 0.000 0.207 289 L C 1.749 178.656 176.870 0.060 0.000 1.086 289 L CA 1.103 55.944 54.840 0.002 0.000 0.760 289 L CB -0.141 41.935 42.059 0.029 0.000 0.910 289 L HN 0.602 nan 8.230 nan 0.000 0.437 290 G N -0.342 108.508 108.800 0.084 0.000 2.407 290 G HA2 -0.085 3.877 3.960 0.003 0.000 0.210 290 G HA3 -0.085 3.877 3.960 0.003 0.000 0.210 290 G C -0.359 174.599 174.900 0.097 0.000 1.015 290 G CA -0.731 44.417 45.100 0.080 0.000 0.807 290 G HN 0.071 nan 8.290 nan 0.000 0.539 291 I N 2.316 122.954 120.570 0.113 0.000 2.328 291 I HA 0.458 4.630 4.170 0.003 0.000 0.287 291 I C 1.172 177.307 176.117 0.030 0.000 1.012 291 I CA -0.754 60.582 61.300 0.061 0.000 1.195 291 I CB 1.173 39.176 38.000 0.004 0.000 1.350 291 I HN -0.029 nan 8.210 nan 0.000 0.464 292 I N 5.845 126.421 120.570 0.010 0.000 2.947 292 I HA 0.174 4.345 4.170 0.003 0.000 0.263 292 I C -1.597 174.513 176.117 -0.013 0.000 1.130 292 I CA 0.197 61.504 61.300 0.012 0.000 1.448 292 I CB -1.616 36.394 38.000 0.018 0.000 1.222 292 I HN 0.308 nan 8.210 nan 0.000 0.453 293 P HA 0.128 nan 4.420 nan 0.000 0.281 293 P C -0.687 176.565 177.300 -0.082 0.000 1.286 293 P CA -0.119 62.957 63.100 -0.040 0.000 0.772 293 P CB 0.335 32.013 31.700 -0.035 0.000 0.862 294 D N 2.397 122.755 120.400 -0.071 0.000 2.405 294 D HA 0.094 4.736 4.640 0.003 0.000 0.232 294 D C 1.809 178.040 176.300 -0.115 0.000 1.240 294 D CA 1.618 55.557 54.000 -0.102 0.000 0.881 294 D CB -0.264 40.498 40.800 -0.064 0.000 1.222 294 D HN 0.669 nan 8.370 nan 0.000 0.482 295 G N 0.390 109.106 108.800 -0.139 0.000 2.550 295 G HA2 -0.445 3.517 3.960 0.003 0.000 0.233 295 G HA3 -0.445 3.517 3.960 0.003 0.000 0.233 295 G C 1.056 175.866 174.900 -0.151 0.000 1.170 295 G CA 0.714 45.737 45.100 -0.127 0.000 0.693 295 G HN 0.590 nan 8.290 nan 0.000 0.512 296 E N 0.260 120.362 120.200 -0.162 0.000 2.170 296 E HA 0.094 4.445 4.350 0.003 0.000 0.191 296 E C 2.634 178.996 176.600 -0.396 0.000 0.981 296 E CA 0.621 56.907 56.400 -0.189 0.000 0.830 296 E CB -0.116 29.505 29.700 -0.131 0.000 0.775 296 E HN 0.558 nan 8.360 nan 0.000 0.470 297 I N 1.369 121.690 120.570 -0.416 0.000 2.099 297 I HA -0.294 3.878 4.170 0.003 0.000 0.239 297 I C 2.255 178.012 176.117 -0.599 0.000 1.066 297 I CA 1.345 62.261 61.300 -0.640 0.000 1.324 297 I CB -1.081 36.626 38.000 -0.489 0.000 1.037 297 I HN 0.259 nan 8.210 nan 0.000 0.401 298 L N 0.206 121.207 121.223 -0.370 0.000 2.622 298 L HA -0.063 4.278 4.340 0.003 0.000 0.233 298 L C 2.272 178.982 176.870 -0.267 0.000 1.156 298 L CA 0.487 55.154 54.840 -0.289 0.000 0.866 298 L CB -0.601 41.346 42.059 -0.187 0.000 0.980 298 L HN 0.382 nan 8.230 nan 0.000 0.448 299 E N 0.259 120.310 120.200 -0.248 0.000 2.086 299 E HA -0.151 4.200 4.350 0.003 0.000 0.190 299 E C 1.953 178.419 176.600 -0.224 0.000 0.975 299 E CA 0.535 56.833 56.400 -0.169 0.000 0.813 299 E CB 0.066 29.738 29.700 -0.046 0.000 0.768 299 E HN 0.621 nan 8.360 nan 0.000 0.457 300 H N 0.006 118.806 119.070 -0.450 0.000 2.387 300 H HA -0.101 4.457 4.556 0.003 0.000 0.299 300 H C 2.164 177.257 175.328 -0.391 0.000 1.090 300 H CA 1.015 56.773 56.048 -0.484 0.000 1.332 300 H CB 0.255 29.806 29.762 -0.350 0.000 1.386 300 H HN 0.221 nan 8.280 nan 0.000 0.516 301 I N 0.032 120.421 120.570 -0.301 0.000 2.272 301 I HA -0.131 4.040 4.170 0.003 0.000 0.235 301 I C 1.247 176.967 176.117 -0.663 0.000 1.071 301 I CA 0.187 61.315 61.300 -0.286 0.000 1.374 301 I CB 0.284 38.187 38.000 -0.162 0.000 1.121 301 I HN 0.188 nan 8.210 nan 0.000 0.420 302 C N 1.013 120.009 119.300 -0.507 0.000 2.347 302 C HA 0.244 4.705 4.460 0.003 0.000 0.353 302 C C 0.370 175.118 174.990 -0.403 0.000 1.273 302 C CA -0.433 58.365 59.018 -0.366 0.000 1.861 302 C CB -0.833 26.811 27.740 -0.159 0.000 2.420 302 C HN 0.411 nan 8.230 nan 0.000 0.542 303 Y N 2.661 123.012 120.300 0.085 0.000 2.681 303 Y HA 0.369 4.921 4.550 0.003 0.000 0.267 303 Y C 0.300 176.264 175.900 0.106 0.000 1.166 303 Y CA -0.400 57.776 58.100 0.127 0.000 1.209 303 Y CB 0.028 38.603 38.460 0.192 0.000 1.161 303 Y HN 0.687 nan 8.280 nan 0.000 0.534 304 D N -1.031 119.463 120.400 0.157 0.000 2.890 304 D HA 0.274 4.915 4.640 0.003 0.000 0.233 304 D C 0.441 176.790 176.300 0.081 0.000 1.306 304 D CA -0.266 53.809 54.000 0.124 0.000 0.929 304 D CB 1.941 42.808 40.800 0.111 0.000 1.512 304 D HN -0.088 nan 8.370 nan 0.000 0.568 305 V N 3.414 123.379 119.914 0.085 0.000 2.515 305 V HA -0.129 3.992 4.120 0.003 0.000 0.250 305 V C 1.844 177.987 176.094 0.082 0.000 1.058 305 V CA 1.209 63.548 62.300 0.066 0.000 1.064 305 V CB -0.506 31.354 31.823 0.061 0.000 0.675 305 V HN 0.568 nan 8.190 nan 0.000 0.461 306 N N 0.338 119.094 118.700 0.094 0.000 2.188 306 N HA -0.107 4.635 4.740 0.003 0.000 0.184 306 N C 0.960 176.565 175.510 0.159 0.000 1.018 306 N CA 0.971 54.095 53.050 0.124 0.000 0.858 306 N CB -0.482 38.071 38.487 0.110 0.000 0.989 306 N HN 0.533 nan 8.380 nan 0.000 0.426 307 D N 1.707 122.157 120.400 0.084 0.000 2.429 307 D HA -0.077 4.565 4.640 0.003 0.000 0.253 307 D C 1.373 177.669 176.300 -0.007 0.000 1.294 307 D CA -0.284 53.712 54.000 -0.007 0.000 1.063 307 D CB -0.110 40.669 40.800 -0.035 0.000 1.096 307 D HN 0.329 nan 8.370 nan 0.000 0.516 308 W N 2.678 123.982 121.300 0.006 0.000 2.518 308 W HA -0.063 4.599 4.660 0.003 0.000 0.273 308 W C 1.136 177.654 176.519 -0.003 0.000 1.247 308 W CA -0.047 57.297 57.345 -0.002 0.000 1.288 308 W CB -0.539 28.919 29.460 -0.002 0.000 1.107 308 W HN 0.345 nan 8.180 nan 0.000 0.586 309 Q N 0.854 120.137 119.800 -0.861 0.000 2.050 309 Q HA -0.224 4.117 4.340 0.003 0.000 0.202 309 Q C 2.467 178.284 176.000 -0.305 0.000 0.980 309 Q CA 2.310 57.600 55.803 -0.854 0.000 0.840 309 Q CB -0.451 27.692 28.738 -0.991 0.000 0.898 309 Q HN 0.338 nan 8.270 nan 0.000 0.424 310 M N 0.455 119.918 119.600 -0.227 0.000 2.080 310 M HA -0.212 4.269 4.480 0.003 0.000 0.260 310 M C 1.961 178.226 176.300 -0.058 0.000 1.068 310 M CA 1.425 56.657 55.300 -0.112 0.000 1.109 310 M CB -0.022 32.525 32.600 -0.088 0.000 1.342 310 M HN 0.188 nan 8.290 nan 0.000 0.405 311 L N -0.275 120.929 121.223 -0.031 0.000 2.046 311 L HA -0.221 4.121 4.340 0.003 0.000 0.208 311 L C 2.379 179.266 176.870 0.029 0.000 1.077 311 L CA 1.401 56.244 54.840 0.004 0.000 0.747 311 L CB -0.773 41.311 42.059 0.041 0.000 0.896 311 L HN 0.326 nan 8.230 nan 0.000 0.432 312 E N -0.099 120.144 120.200 0.073 0.000 2.153 312 E HA -0.220 4.132 4.350 0.003 0.000 0.194 312 E C 2.209 178.833 176.600 0.040 0.000 0.988 312 E CA 1.155 57.611 56.400 0.092 0.000 0.811 312 E CB 0.010 29.826 29.700 0.194 0.000 0.746 312 E HN 0.212 nan 8.360 nan 0.000 0.466 313 M N -0.469 119.137 119.600 0.009 0.000 2.296 313 M HA -0.058 4.424 4.480 0.003 0.000 0.265 313 M C 1.749 178.053 176.300 0.006 0.000 1.064 313 M CA 1.108 56.410 55.300 0.003 0.000 1.109 313 M CB -0.345 32.248 32.600 -0.013 0.000 1.396 313 M HN 0.211 nan 8.290 nan 0.000 0.430 314 L N -0.987 120.235 121.223 -0.002 0.000 2.529 314 L HA -0.054 4.288 4.340 0.003 0.000 0.223 314 L C 2.288 179.149 176.870 -0.016 0.000 1.113 314 L CA 0.203 55.039 54.840 -0.007 0.000 0.861 314 L CB -0.296 41.747 42.059 -0.026 0.000 1.012 314 L HN 0.234 nan 8.230 nan 0.000 0.461 315 K N 1.158 121.550 120.400 -0.013 0.000 2.074 315 K HA -0.175 4.146 4.320 0.003 0.000 0.209 315 K C -0.642 175.934 176.600 -0.041 0.000 1.048 315 K CA 1.606 57.877 56.287 -0.026 0.000 0.926 315 K CB -0.645 31.849 32.500 -0.011 0.000 0.713 315 K HN 0.218 nan 8.250 nan 0.000 0.444 316 P HA -0.042 nan 4.420 nan 0.000 0.229 316 P C 1.082 178.361 177.300 -0.035 0.000 1.160 316 P CA 0.892 63.972 63.100 -0.034 0.000 0.777 316 P CB -0.078 31.615 31.700 -0.012 0.000 0.814 317 C N -0.421 118.869 119.300 -0.016 0.000 2.476 317 C HA -0.047 4.414 4.460 0.003 0.000 0.278 317 C C 2.934 177.911 174.990 -0.022 0.000 1.274 317 C CA 0.329 59.349 59.018 0.004 0.000 1.713 317 C CB -1.573 26.187 27.740 0.034 0.000 2.039 317 C HN 0.097 nan 8.230 nan 0.000 0.484 318 V N 1.614 121.497 119.914 -0.052 0.000 2.392 318 V HA -0.249 3.873 4.120 0.003 0.000 0.249 318 V C 2.351 178.338 176.094 -0.178 0.000 1.059 318 V CA 2.063 64.312 62.300 -0.084 0.000 1.051 318 V CB -0.936 30.832 31.823 -0.092 0.000 0.658 318 V HN 0.621 nan 8.190 nan 0.000 0.455 319 E N -0.203 119.865 120.200 -0.221 0.000 2.209 319 E HA -0.248 4.104 4.350 0.003 0.000 0.196 319 E C 1.463 177.902 176.600 -0.269 0.000 0.993 319 E CA 1.279 57.469 56.400 -0.351 0.000 0.819 319 E CB -0.138 29.423 29.700 -0.232 0.000 0.745 319 E HN 0.501 nan 8.360 nan 0.000 0.477 320 D N -0.959 119.369 120.400 -0.120 0.000 2.342 320 D HA 0.055 4.696 4.640 0.003 0.000 0.221 320 D C 1.185 177.492 176.300 0.011 0.000 1.101 320 D CA 0.220 54.196 54.000 -0.040 0.000 0.837 320 D CB 0.330 41.126 40.800 -0.007 0.000 0.938 320 D HN 0.175 nan 8.370 nan 0.000 0.508 321 G N -0.171 108.635 108.800 0.009 0.000 2.763 321 G HA2 -0.033 3.929 3.960 0.003 0.000 0.205 321 G HA3 -0.033 3.929 3.960 0.003 0.000 0.205 321 G C 1.179 176.192 174.900 0.187 0.000 1.137 321 G CA -0.287 44.864 45.100 0.084 0.000 0.839 321 G HN 0.399 nan 8.290 nan 0.000 0.596 322 F N 1.629 121.568 119.950 -0.019 0.000 2.753 322 F HA 0.222 4.751 4.527 0.003 0.000 0.299 322 F C 1.317 177.094 175.800 -0.039 0.000 1.265 322 F CA -0.496 57.489 58.000 -0.025 0.000 1.453 322 F CB -0.109 38.878 39.000 -0.022 0.000 1.118 322 F HN -0.061 nan 8.300 nan 0.000 0.579 323 V N 1.363 121.457 119.914 0.300 0.000 2.548 323 V HA -0.135 3.987 4.120 0.003 0.000 0.249 323 V C 1.092 177.172 176.094 -0.024 0.000 1.055 323 V CA 1.000 63.319 62.300 0.032 0.000 1.065 323 V CB -0.145 31.660 31.823 -0.030 0.000 0.681 323 V HN 0.307 nan 8.190 nan 0.000 0.462 324 I N 0.673 121.257 120.570 0.024 0.000 2.464 324 I HA 0.335 4.506 4.170 0.003 0.000 0.277 324 I C 0.309 176.455 176.117 0.048 0.000 1.040 324 I CA 0.104 61.417 61.300 0.022 0.000 1.153 324 I CB 1.035 39.059 38.000 0.039 0.000 1.274 324 I HN 0.197 nan 8.210 nan 0.000 0.469 325 Q N 3.873 123.687 119.800 0.022 0.000 2.172 325 Q HA 0.171 4.512 4.340 0.003 0.000 0.217 325 Q C -0.991 175.021 176.000 0.019 0.000 0.832 325 Q CA 0.035 55.853 55.803 0.026 0.000 1.010 325 Q CB 0.396 29.135 28.738 0.002 0.000 1.133 325 Q HN 0.644 nan 8.270 nan 0.000 0.489 326 D N -2.304 118.111 120.400 0.024 0.000 2.977 326 D HA 0.148 4.789 4.640 0.003 0.000 0.220 326 D C 0.093 176.413 176.300 0.032 0.000 1.267 326 D CA -0.621 53.393 54.000 0.023 0.000 0.884 326 D CB 0.868 41.675 40.800 0.012 0.000 1.667 326 D HN -0.003 nan 8.370 nan 0.000 0.536 327 R N 1.364 121.884 120.500 0.033 0.000 2.307 327 R HA -0.372 3.970 4.340 0.003 0.000 0.224 327 R C 1.187 177.507 176.300 0.034 0.000 1.106 327 R CA 3.020 59.140 56.100 0.034 0.000 0.840 327 R CB -0.300 30.017 30.300 0.028 0.000 0.952 327 R HN 0.560 nan 8.270 nan 0.000 0.401 328 E N -1.045 119.172 120.200 0.028 0.000 2.147 328 E HA -0.199 4.152 4.350 0.003 0.000 0.199 328 E C 1.900 178.524 176.600 0.040 0.000 1.005 328 E CA 2.311 58.729 56.400 0.030 0.000 0.810 328 E CB -0.193 29.521 29.700 0.023 0.000 0.736 328 E HN 0.745 nan 8.360 nan 0.000 0.460 329 T N -2.528 112.051 114.554 0.043 0.000 3.067 329 T HA 0.209 4.561 4.350 0.003 0.000 0.261 329 T C 1.842 176.596 174.700 0.089 0.000 1.110 329 T CA 0.572 62.706 62.100 0.056 0.000 1.113 329 T CB 0.145 69.035 68.868 0.037 0.000 0.917 329 T HN 0.160 nan 8.240 nan 0.000 0.499 330 A N 1.415 124.284 122.820 0.082 0.000 2.016 330 A HA 0.316 4.638 4.320 0.003 0.000 0.217 330 A C 2.169 179.806 177.584 0.088 0.000 1.162 330 A CA 0.472 52.571 52.037 0.104 0.000 0.662 330 A CB -0.426 18.623 19.000 0.081 0.000 0.812 330 A HN 0.431 nan 8.150 nan 0.000 0.450 331 L N -0.056 121.202 121.223 0.058 0.000 2.341 331 L HA -0.052 4.290 4.340 0.003 0.000 0.214 331 L C 1.937 178.850 176.870 0.072 0.000 1.115 331 L CA 1.862 56.725 54.840 0.039 0.000 0.820 331 L CB -1.235 40.837 42.059 0.021 0.000 0.944 331 L HN 0.478 nan 8.230 nan 0.000 0.452 332 D N 0.138 120.597 120.400 0.099 0.000 2.117 332 D HA -0.263 4.378 4.640 0.003 0.000 0.198 332 D C 1.408 177.823 176.300 0.191 0.000 0.982 332 D CA 0.713 54.786 54.000 0.122 0.000 0.828 332 D CB -0.110 40.752 40.800 0.103 0.000 0.967 332 D HN 0.119 nan 8.370 nan 0.000 0.464 333 F N 0.771 120.741 119.950 0.033 0.000 2.818 333 F HA 0.280 4.808 4.527 0.003 0.000 0.303 333 F C 0.662 176.488 175.800 0.043 0.000 1.250 333 F CA 0.033 58.055 58.000 0.036 0.000 1.409 333 F CB -0.616 38.404 39.000 0.033 0.000 1.183 333 F HN 0.056 nan 8.300 nan 0.000 0.534 334 I N -0.727 119.824 120.570 -0.032 0.000 4.240 334 I HA 0.156 4.327 4.170 0.003 0.000 0.331 334 I C 1.897 178.024 176.117 0.016 0.000 1.381 334 I CA 0.373 61.620 61.300 -0.088 0.000 1.136 334 I CB -0.272 37.712 38.000 -0.027 0.000 1.137 334 I HN 0.379 nan 8.210 nan 0.000 0.411 335 G N 3.147 111.987 108.800 0.066 0.000 2.684 335 G HA2 -0.375 3.586 3.960 0.003 0.000 0.358 335 G HA3 -0.375 3.586 3.960 0.003 0.000 0.358 335 G C 0.175 175.117 174.900 0.070 0.000 1.164 335 G CA 1.193 46.343 45.100 0.082 0.000 0.935 335 G HN 0.449 nan 8.290 nan 0.000 0.574 336 R N -1.336 119.194 120.500 0.051 0.000 2.531 336 R HA 0.861 5.202 4.340 0.003 0.000 0.293 336 R C -0.165 176.157 176.300 0.036 0.000 1.124 336 R CA -0.599 55.525 56.100 0.039 0.000 0.945 336 R CB 1.359 31.660 30.300 0.002 0.000 1.195 336 R HN 1.155 nan 8.270 nan 0.000 0.433 337 R N 1.146 121.675 120.500 0.048 0.000 4.883 337 R HA 0.042 4.383 4.340 0.003 0.000 0.225 337 R C 1.092 177.410 176.300 0.030 0.000 0.679 337 R CA 1.528 57.654 56.100 0.043 0.000 0.970 337 R CB -1.432 28.890 30.300 0.037 0.000 1.349 337 R HN 1.248 nan 8.270 nan 0.000 0.479 338 G N 0.135 108.951 108.800 0.028 0.000 3.346 338 G HA2 -0.403 3.558 3.960 0.003 0.000 0.366 338 G HA3 -0.403 3.558 3.960 0.003 0.000 0.366 338 G C 0.454 175.363 174.900 0.014 0.000 1.891 338 G CA 2.335 47.446 45.100 0.019 0.000 2.071 338 G HN 1.455 nan 8.290 nan 0.000 0.902 339 T N -1.068 113.491 114.554 0.008 0.000 3.105 339 T HA 0.677 5.028 4.350 0.003 0.000 0.321 339 T C -1.042 173.652 174.700 -0.010 0.000 1.135 339 T CA 0.636 62.736 62.100 0.000 0.000 1.053 339 T CB 1.347 70.213 68.868 -0.003 0.000 1.133 339 T HN 1.748 nan 8.240 nan 0.000 0.463 340 A N 5.058 127.868 122.820 -0.017 0.000 2.763 340 A HA 0.675 4.997 4.320 0.003 0.000 0.325 340 A C 1.027 178.578 177.584 -0.054 0.000 1.209 340 A CA -0.372 51.639 52.037 -0.043 0.000 0.764 340 A CB -0.501 18.471 19.000 -0.045 0.000 1.120 340 A HN 1.277 nan 8.150 nan 0.000 0.463 341 L N 0.480 121.672 121.223 -0.052 0.000 3.832 341 L HA -0.452 3.889 4.340 0.003 0.000 0.359 341 L C 2.103 178.956 176.870 -0.029 0.000 2.750 341 L CA 2.151 56.962 54.840 -0.047 0.000 2.342 341 L CB -1.418 40.599 42.059 -0.068 0.000 2.206 341 L HN 1.769 nan 8.230 nan 0.000 0.725 342 G N -0.231 108.554 108.800 -0.025 0.000 3.642 342 G HA2 -0.299 3.663 3.960 0.003 0.000 0.205 342 G HA3 -0.299 3.663 3.960 0.003 0.000 0.205 342 G C 0.215 175.109 174.900 -0.010 0.000 1.526 342 G CA 0.144 45.236 45.100 -0.012 0.000 1.097 342 G HN 0.972 nan 8.290 nan 0.000 0.596 343 I N 0.794 121.356 120.570 -0.013 0.000 2.691 343 I HA 0.542 4.714 4.170 0.003 0.000 0.288 343 I C 0.432 176.542 176.117 -0.011 0.000 1.143 343 I CA 0.585 61.880 61.300 -0.009 0.000 1.364 343 I CB -0.036 37.959 38.000 -0.008 0.000 1.435 343 I HN 0.494 nan 8.210 nan 0.000 0.551 344 K N 4.087 124.486 120.400 -0.002 0.000 1.731 344 K HA 0.385 4.706 4.320 0.003 0.000 0.306 344 K C 0.303 176.913 176.600 0.016 0.000 0.908 344 K CA -0.905 55.384 56.287 0.004 0.000 0.436 344 K CB 0.540 33.038 32.500 -0.003 0.000 3.321 344 K HN 0.362 nan 8.250 nan 0.000 1.185 345 K N 0.507 120.922 120.400 0.026 0.000 11.134 345 K HA -0.317 4.005 4.320 0.003 0.000 0.527 345 K C 1.175 177.797 176.600 0.036 0.000 0.391 345 K CA 2.427 58.733 56.287 0.032 0.000 1.928 345 K CB -1.057 31.458 32.500 0.025 0.000 0.781 345 K HN 0.480 nan 8.250 nan 0.000 1.243 346 E N 0.852 121.069 120.200 0.030 0.000 2.482 346 E HA -0.055 4.296 4.350 0.003 0.000 0.196 346 E C 1.313 177.937 176.600 0.039 0.000 1.047 346 E CA 0.614 57.033 56.400 0.031 0.000 0.869 346 E CB 0.147 29.861 29.700 0.023 0.000 0.836 346 E HN 0.298 nan 8.360 nan 0.000 0.520 347 K N 0.122 120.546 120.400 0.040 0.000 2.370 347 K HA 0.058 4.380 4.320 0.003 0.000 0.194 347 K C 1.966 178.613 176.600 0.078 0.000 1.070 347 K CA 0.049 56.364 56.287 0.047 0.000 0.998 347 K CB 0.432 32.945 32.500 0.022 0.000 0.911 347 K HN -0.010 nan 8.250 nan 0.000 0.533 348 R N 0.398 120.944 120.500 0.076 0.000 2.210 348 R HA 0.163 4.504 4.340 0.003 0.000 0.203 348 R C 1.761 178.159 176.300 0.163 0.000 1.010 348 R CA 0.557 56.734 56.100 0.129 0.000 1.008 348 R CB -0.341 30.009 30.300 0.084 0.000 0.923 348 R HN 0.015 nan 8.270 nan 0.000 0.469 349 I N 1.091 121.724 120.570 0.104 0.000 2.286 349 I HA -0.166 4.006 4.170 0.003 0.000 0.245 349 I C 2.255 178.417 176.117 0.074 0.000 1.104 349 I CA 1.095 62.442 61.300 0.079 0.000 1.397 349 I CB -0.085 37.947 38.000 0.055 0.000 1.072 349 I HN 0.175 nan 8.210 nan 0.000 0.417 350 Q N -0.204 119.647 119.800 0.085 0.000 2.369 350 Q HA -0.195 4.146 4.340 0.003 0.000 0.206 350 Q C 1.831 177.895 176.000 0.108 0.000 0.963 350 Q CA 1.261 57.109 55.803 0.075 0.000 0.894 350 Q CB -0.297 28.482 28.738 0.067 0.000 0.965 350 Q HN 0.533 nan 8.270 nan 0.000 0.475 351 Y N -0.424 119.887 120.300 0.018 0.000 2.163 351 Y HA -0.058 4.494 4.550 0.002 0.000 0.288 351 Y C 1.913 177.823 175.900 0.018 0.000 1.136 351 Y CA 1.569 59.686 58.100 0.028 0.000 1.147 351 Y CB -0.509 37.975 38.460 0.040 0.000 0.987 351 Y HN 0.124 nan 8.280 nan 0.000 0.509 352 A N 0.032 122.835 122.820 -0.029 0.000 1.969 352 A HA -0.149 4.172 4.320 0.003 0.000 0.218 352 A C 2.203 179.710 177.584 -0.128 0.000 1.169 352 A CA 1.515 53.478 52.037 -0.124 0.000 0.635 352 A CB -0.649 18.336 19.000 -0.026 0.000 0.810 352 A HN 0.451 nan 8.150 nan 0.000 0.445 353 K N -0.766 119.594 120.400 -0.067 0.000 2.504 353 K HA -0.108 4.213 4.320 0.003 0.000 0.195 353 K C 0.415 176.969 176.600 -0.076 0.000 1.036 353 K CA 1.166 57.419 56.287 -0.056 0.000 0.984 353 K CB 0.031 32.520 32.500 -0.017 0.000 0.788 353 K HN 0.385 nan 8.250 nan 0.000 0.488 354 D N -0.024 120.305 120.400 -0.118 0.000 2.431 354 D HA 0.039 4.681 4.640 0.003 0.000 0.235 354 D C 1.681 177.862 176.300 -0.199 0.000 0.980 354 D CA 0.478 54.396 54.000 -0.136 0.000 0.912 354 D CB 0.070 40.797 40.800 -0.122 0.000 1.056 354 D HN 0.110 nan 8.370 nan 0.000 0.494 355 I N 1.016 121.419 120.570 -0.280 0.000 2.335 355 I HA -0.210 3.961 4.170 0.003 0.000 0.251 355 I C 1.998 178.022 176.117 -0.155 0.000 1.129 355 I CA 0.868 61.988 61.300 -0.300 0.000 1.402 355 I CB -0.063 37.730 38.000 -0.345 0.000 1.069 355 I HN -0.034 nan 8.210 nan 0.000 0.424 356 L N -0.354 120.787 121.223 -0.136 0.000 2.552 356 L HA -0.097 4.245 4.340 0.003 0.000 0.227 356 L C 1.994 178.864 176.870 0.000 0.000 1.146 356 L CA 0.795 55.575 54.840 -0.100 0.000 0.858 356 L CB -0.195 41.734 42.059 -0.216 0.000 0.969 356 L HN 0.356 nan 8.230 nan 0.000 0.451 357 Q N -1.276 118.500 119.800 -0.040 0.000 2.477 357 Q HA 0.047 4.388 4.340 0.003 0.000 0.252 357 Q C 1.823 177.780 176.000 -0.072 0.000 0.869 357 Q CA 0.122 55.910 55.803 -0.024 0.000 0.969 357 Q CB 0.651 29.375 28.738 -0.024 0.000 1.144 357 Q HN 0.234 nan 8.270 nan 0.000 0.577 358 K N -0.036 120.283 120.400 -0.135 0.000 2.284 358 K HA 0.028 4.349 4.320 0.003 0.000 0.198 358 K C 1.187 177.635 176.600 -0.254 0.000 1.048 358 K CA 0.773 56.932 56.287 -0.212 0.000 0.987 358 K CB 0.558 32.897 32.500 -0.267 0.000 0.800 358 K HN 0.014 nan 8.250 nan 0.000 0.486 359 E N -0.335 119.737 120.200 -0.213 0.000 2.354 359 E HA 0.045 4.397 4.350 0.003 0.000 0.203 359 E C -0.123 176.443 176.600 -0.057 0.000 0.841 359 E CA -0.074 56.209 56.400 -0.195 0.000 1.046 359 E CB 0.111 29.621 29.700 -0.316 0.000 1.040 359 E HN 0.059 nan 8.360 nan 0.000 0.504 360 F N 2.800 122.665 119.950 -0.142 0.000 2.462 360 F HA 0.207 4.736 4.527 0.003 0.000 0.360 360 F C -0.101 175.645 175.800 -0.089 0.000 1.134 360 F CA -0.572 57.376 58.000 -0.088 0.000 1.148 360 F CB -0.042 38.908 39.000 -0.083 0.000 1.147 360 F HN -0.107 nan 8.300 nan 0.000 0.550 361 L N 7.411 128.322 121.223 -0.520 0.000 3.639 361 L HA -0.218 4.123 4.340 0.003 0.000 0.648 361 L C -1.979 174.724 176.870 -0.279 0.000 1.130 361 L CA 0.035 54.616 54.840 -0.433 0.000 1.057 361 L CB -1.134 40.560 42.059 -0.608 0.000 1.428 361 L HN 0.516 nan 8.230 nan 0.000 0.829 362 P HA -0.120 nan 4.420 nan 0.000 0.228 362 P C 0.562 177.823 177.300 -0.065 0.000 1.151 362 P CA 1.459 64.504 63.100 -0.091 0.000 0.770 362 P CB -0.032 31.648 31.700 -0.033 0.000 0.786 363 H N -1.647 117.325 119.070 -0.163 0.000 2.523 363 H HA 0.247 4.804 4.556 0.003 0.000 0.317 363 H C 1.332 176.505 175.328 -0.258 0.000 1.511 363 H CA -0.439 55.496 56.048 -0.189 0.000 1.499 363 H CB 0.324 29.976 29.762 -0.184 0.000 1.742 363 H HN -0.279 nan 8.280 nan 0.000 0.750 364 I N -2.396 117.952 120.570 -0.369 0.000 4.639 364 I HA -0.360 3.811 4.170 0.003 0.000 0.047 364 I C 0.816 176.674 176.117 -0.432 0.000 0.623 364 I CA 2.113 63.135 61.300 -0.464 0.000 0.827 364 I CB -2.188 35.479 38.000 -0.555 0.000 0.758 364 I HN 0.901 nan 8.210 nan 0.000 0.158 365 T N -0.861 113.464 114.554 -0.382 0.000 2.676 365 T HA 0.398 4.750 4.350 0.003 0.000 0.308 365 T C -0.966 173.603 174.700 -0.218 0.000 1.740 365 T CA -0.015 61.866 62.100 -0.364 0.000 0.982 365 T CB 1.509 69.959 68.868 -0.696 0.000 1.724 365 T HN 0.365 nan 8.240 nan 0.000 0.497 366 Q N 0.878 120.588 119.800 -0.151 0.000 2.086 366 Q HA 0.400 4.742 4.340 0.003 0.000 0.220 366 Q C -0.203 175.772 176.000 -0.041 0.000 0.792 366 Q CA -0.052 55.693 55.803 -0.098 0.000 1.062 366 Q CB 0.655 29.329 28.738 -0.107 0.000 1.198 366 Q HN 0.487 nan 8.270 nan 0.000 0.466 367 L N -1.032 120.203 121.223 0.020 0.000 2.464 367 L HA 0.400 4.742 4.340 0.003 0.000 0.264 367 L C 1.515 178.463 176.870 0.131 0.000 1.062 367 L CA -0.631 54.259 54.840 0.083 0.000 0.935 367 L CB 0.475 42.611 42.059 0.128 0.000 1.603 367 L HN 0.009 nan 8.230 nan 0.000 0.528 368 E N 0.729 120.992 120.200 0.105 0.000 1.998 368 E HA -0.118 4.234 4.350 0.003 0.000 0.195 368 E C 1.262 177.894 176.600 0.053 0.000 0.994 368 E CA 1.044 57.479 56.400 0.059 0.000 0.835 368 E CB -0.328 29.381 29.700 0.015 0.000 0.786 368 E HN 0.779 nan 8.360 nan 0.000 0.467 369 G N 0.251 109.019 108.800 -0.052 0.000 3.325 369 G HA2 0.134 4.095 3.960 0.003 0.000 0.242 369 G HA3 0.134 4.095 3.960 0.003 0.000 0.242 369 G C -0.828 173.720 174.900 -0.588 0.000 1.120 369 G CA -0.060 44.869 45.100 -0.284 0.000 1.778 369 G HN 0.073 nan 8.290 nan 0.000 0.610 370 F N -0.949 118.988 119.950 -0.021 0.000 2.671 370 F HA 0.420 4.949 4.527 0.003 0.000 0.332 370 F C 0.365 176.166 175.800 0.002 0.000 1.189 370 F CA -0.843 57.143 58.000 -0.024 0.000 0.988 370 F CB 2.369 41.343 39.000 -0.043 0.000 1.258 370 F HN 0.142 nan 8.300 nan 0.000 0.471 371 E N 0.019 120.311 120.200 0.154 0.000 2.502 371 E HA 0.037 4.388 4.350 0.003 0.000 0.206 371 E C 1.665 178.387 176.600 0.203 0.000 0.821 371 E CA 0.252 56.740 56.400 0.146 0.000 1.354 371 E CB 0.531 30.290 29.700 0.099 0.000 1.336 371 E HN 0.360 nan 8.360 nan 0.000 0.675 372 S N 0.270 116.078 115.700 0.179 0.000 2.470 372 S HA 0.022 4.493 4.470 0.003 0.000 0.225 372 S C 1.732 176.414 174.600 0.136 0.000 1.006 372 S CA 0.506 58.842 58.200 0.226 0.000 0.934 372 S CB 0.041 63.310 63.200 0.115 0.000 0.778 372 S HN 0.038 nan 8.310 nan 0.000 0.517 373 R N 1.019 121.574 120.500 0.093 0.000 2.120 373 R HA 0.033 4.375 4.340 0.003 0.000 0.234 373 R C 1.958 178.344 176.300 0.143 0.000 1.123 373 R CA 1.056 57.170 56.100 0.024 0.000 0.975 373 R CB -0.161 30.189 30.300 0.084 0.000 0.866 373 R HN 0.467 nan 8.270 nan 0.000 0.446 374 K N -0.384 120.162 120.400 0.244 0.000 2.141 374 K HA 0.131 4.453 4.320 0.003 0.000 0.202 374 K C 2.104 179.013 176.600 0.514 0.000 1.045 374 K CA 0.756 57.251 56.287 0.347 0.000 0.971 374 K CB -0.054 32.655 32.500 0.348 0.000 0.795 374 K HN 0.007 nan 8.250 nan 0.000 0.459 375 A N 1.071 124.191 122.820 0.500 0.000 1.978 375 A HA -0.166 4.156 4.320 0.003 0.000 0.220 375 A C 1.861 179.926 177.584 0.801 0.000 1.170 375 A CA 1.378 53.784 52.037 0.615 0.000 0.636 375 A CB -0.682 18.760 19.000 0.736 0.000 0.810 375 A HN 0.163 nan 8.150 nan 0.000 0.448 376 F N -1.746 118.470 119.950 0.443 0.000 2.146 376 F HA -0.043 4.486 4.527 0.002 0.000 0.298 376 F C 1.971 178.246 175.800 0.792 0.000 1.096 376 F CA 1.160 59.463 58.000 0.505 0.000 1.275 376 F CB -0.784 38.317 39.000 0.167 0.000 1.008 376 F HN 0.329 nan 8.300 nan 0.000 0.480 377 F N 0.017 120.414 119.950 0.745 0.000 2.134 377 F HA -0.183 4.345 4.527 0.002 0.000 0.299 377 F C 2.258 178.374 175.800 0.526 0.000 1.097 377 F CA 1.083 59.457 58.000 0.622 0.000 1.264 377 F CB -0.592 38.635 39.000 0.378 0.000 1.001 377 F HN -0.059 nan 8.300 nan 0.000 0.479 378 L N 0.211 121.769 121.223 0.558 0.000 2.083 378 L HA -0.021 4.320 4.340 0.003 0.000 0.209 378 L C 2.344 179.450 176.870 0.394 0.000 1.083 378 L CA 2.219 57.281 54.840 0.370 0.000 0.752 378 L CB -1.390 40.806 42.059 0.229 0.000 0.899 378 L HN 0.154 nan 8.230 nan 0.000 0.433 379 G N -1.919 107.232 108.800 0.585 0.000 2.421 379 G HA2 -0.335 3.627 3.960 0.003 0.000 0.217 379 G HA3 -0.335 3.627 3.960 0.003 0.000 0.217 379 G C 1.526 176.677 174.900 0.419 0.000 1.143 379 G CA 0.739 46.173 45.100 0.558 0.000 0.784 379 G HN 0.556 nan 8.290 nan 0.000 0.541 380 Y N 0.871 121.356 120.300 0.309 0.000 2.242 380 Y HA 0.013 4.565 4.550 0.002 0.000 0.291 380 Y C 2.771 178.647 175.900 -0.040 0.000 1.137 380 Y CA 1.485 59.650 58.100 0.109 0.000 1.181 380 Y CB -0.083 38.267 38.460 -0.183 0.000 0.989 380 Y HN 0.132 nan 8.280 nan 0.000 0.527 381 M N -0.284 119.301 119.600 -0.024 0.000 2.059 381 M HA -0.239 4.243 4.480 0.003 0.000 0.259 381 M C 1.978 178.245 176.300 -0.054 0.000 1.072 381 M CA 1.718 56.963 55.300 -0.090 0.000 1.117 381 M CB -0.437 32.169 32.600 0.010 0.000 1.320 381 M HN 0.254 nan 8.290 nan 0.000 0.408 382 I N 0.091 120.699 120.570 0.064 0.000 2.315 382 I HA -0.296 3.875 4.170 0.003 0.000 0.251 382 I C 1.925 178.046 176.117 0.008 0.000 1.125 382 I CA 1.767 63.110 61.300 0.072 0.000 1.392 382 I CB -2.056 36.037 38.000 0.156 0.000 1.065 382 I HN 0.476 nan 8.210 nan 0.000 0.424 383 N N 0.814 119.506 118.700 -0.014 0.000 2.166 383 N HA -0.198 4.544 4.740 0.003 0.000 0.186 383 N C 1.981 177.411 175.510 -0.134 0.000 1.019 383 N CA 0.989 54.020 53.050 -0.031 0.000 0.856 383 N CB 0.078 38.636 38.487 0.118 0.000 0.993 383 N HN 0.043 nan 8.380 nan 0.000 0.426 384 R N 0.250 120.591 120.500 -0.265 0.000 2.062 384 R HA 0.094 4.436 4.340 0.003 0.000 0.226 384 R C 1.967 178.187 176.300 -0.133 0.000 1.125 384 R CA 0.584 56.523 56.100 -0.268 0.000 0.966 384 R CB -1.051 29.016 30.300 -0.388 0.000 0.861 384 R HN 0.281 nan 8.270 nan 0.000 0.433 385 L N 0.287 121.462 121.223 -0.080 0.000 2.013 385 L HA -0.139 4.203 4.340 0.003 0.000 0.212 385 L C 1.712 178.591 176.870 0.015 0.000 1.073 385 L CA 1.789 56.623 54.840 -0.009 0.000 0.753 385 L CB -0.281 41.797 42.059 0.030 0.000 0.890 385 L HN 0.198 nan 8.230 nan 0.000 0.432 386 L N -1.694 119.531 121.223 0.003 0.000 2.418 386 L HA -0.075 4.267 4.340 0.003 0.000 0.218 386 L C 2.117 178.973 176.870 -0.023 0.000 1.125 386 L CA -0.019 54.828 54.840 0.011 0.000 0.835 386 L CB -0.372 41.689 42.059 0.002 0.000 0.953 386 L HN 0.271 nan 8.230 nan 0.000 0.454 387 L N -0.537 120.654 121.223 -0.053 0.000 2.313 387 L HA -0.126 4.215 4.340 0.003 0.000 0.214 387 L C 2.292 179.114 176.870 -0.080 0.000 1.119 387 L CA 1.342 56.141 54.840 -0.068 0.000 0.809 387 L CB -0.210 41.800 42.059 -0.081 0.000 0.933 387 L HN 0.405 nan 8.230 nan 0.000 0.449 388 C N -1.579 117.662 119.300 -0.098 0.000 2.735 388 C HA 0.387 4.849 4.460 0.003 0.000 0.271 388 C C 2.650 177.536 174.990 -0.174 0.000 1.281 388 C CA 0.292 59.216 59.018 -0.157 0.000 1.719 388 C CB -0.958 26.657 27.740 -0.209 0.000 2.024 388 C HN 0.517 nan 8.230 nan 0.000 0.566 389 A N 0.490 123.291 122.820 -0.031 0.000 2.123 389 A HA 0.277 4.599 4.320 0.003 0.000 0.214 389 A C 1.944 179.574 177.584 0.076 0.000 1.152 389 A CA 0.854 52.989 52.037 0.164 0.000 0.728 389 A CB -0.427 18.758 19.000 0.308 0.000 0.814 389 A HN 0.640 nan 8.150 nan 0.000 0.464 390 L N -0.836 120.386 121.223 -0.001 0.000 2.592 390 L HA 0.070 4.412 4.340 0.003 0.000 0.227 390 L C -0.442 176.406 176.870 -0.037 0.000 1.127 390 L CA -0.051 54.769 54.840 -0.032 0.000 0.884 390 L CB -0.339 41.675 42.059 -0.076 0.000 1.065 390 L HN 0.219 nan 8.230 nan 0.000 0.457 391 D N 0.756 121.132 120.400 -0.040 0.000 2.746 391 D HA -0.188 4.454 4.640 0.003 0.000 0.241 391 D C 1.073 177.343 176.300 -0.050 0.000 1.140 391 D CA 0.570 54.541 54.000 -0.048 0.000 0.707 391 D CB -0.506 40.277 40.800 -0.029 0.000 1.034 391 D HN 0.309 nan 8.370 nan 0.000 0.423 392 R N -0.602 119.863 120.500 -0.059 0.000 2.221 392 R HA 0.149 4.491 4.340 0.003 0.000 0.195 392 R C 0.474 176.741 176.300 -0.056 0.000 0.956 392 R CA 0.260 56.328 56.100 -0.054 0.000 1.064 392 R CB 0.492 30.758 30.300 -0.056 0.000 1.049 392 R HN -0.082 nan 8.270 nan 0.000 0.534 393 K N 0.731 121.090 120.400 -0.070 0.000 2.375 393 K HA 0.202 4.523 4.320 0.003 0.000 0.249 393 K C -1.136 175.408 176.600 -0.094 0.000 0.942 393 K CA -0.563 55.679 56.287 -0.076 0.000 0.806 393 K CB 1.665 34.117 32.500 -0.080 0.000 1.227 393 K HN -0.112 nan 8.250 nan 0.000 0.430 394 D N 1.501 121.847 120.400 -0.090 0.000 2.362 394 D HA -0.073 4.569 4.640 0.003 0.000 0.238 394 D C -0.012 176.207 176.300 -0.136 0.000 1.212 394 D CA 0.219 54.158 54.000 -0.102 0.000 0.902 394 D CB 0.701 41.451 40.800 -0.085 0.000 1.180 394 D HN 0.380 nan 8.370 nan 0.000 0.445 395 Q N 0.970 120.677 119.800 -0.155 0.000 2.364 395 Q HA -0.038 4.303 4.340 0.003 0.000 0.267 395 Q C -0.576 175.283 176.000 -0.236 0.000 0.999 395 Q CA -0.272 55.409 55.803 -0.203 0.000 0.886 395 Q CB 0.664 29.279 28.738 -0.204 0.000 1.243 395 Q HN 0.261 nan 8.270 nan 0.000 0.415 396 D N 3.175 123.395 120.400 -0.301 0.000 2.450 396 D HA -0.034 4.607 4.640 0.003 0.000 0.247 396 D C -0.712 175.357 176.300 -0.385 0.000 1.162 396 D CA 0.304 54.121 54.000 -0.304 0.000 0.879 396 D CB 0.615 41.279 40.800 -0.226 0.000 1.163 396 D HN 0.471 nan 8.370 nan 0.000 0.472 397 D N 2.057 122.322 120.400 -0.225 0.000 2.401 397 D HA -0.003 4.638 4.640 0.003 0.000 0.254 397 D C 1.105 177.299 176.300 -0.176 0.000 1.192 397 D CA 0.081 53.979 54.000 -0.170 0.000 0.885 397 D CB 0.575 41.354 40.800 -0.036 0.000 1.147 397 D HN 0.266 nan 8.370 nan 0.000 0.478 398 R N 1.992 122.375 120.500 -0.195 0.000 2.193 398 R HA 0.012 4.354 4.340 0.003 0.000 0.213 398 R C 0.399 176.636 176.300 -0.104 0.000 1.055 398 R CA 0.648 56.677 56.100 -0.118 0.000 0.995 398 R CB 0.442 30.692 30.300 -0.083 0.000 0.893 398 R HN 0.372 nan 8.270 nan 0.000 0.459 399 D N -0.614 119.657 120.400 -0.215 0.000 2.363 399 D HA -0.018 4.624 4.640 0.003 0.000 0.214 399 D C -0.157 175.847 176.300 -0.493 0.000 1.093 399 D CA 0.140 53.941 54.000 -0.331 0.000 0.837 399 D CB 0.065 40.598 40.800 -0.445 0.000 0.948 399 D HN 0.177 nan 8.370 nan 0.000 0.507 400 H N 0.465 119.312 119.070 -0.372 0.000 2.848 400 H HA -0.051 4.506 4.556 0.003 0.000 0.317 400 H C 0.463 175.761 175.328 -0.049 0.000 1.046 400 H CA 0.079 56.009 56.048 -0.197 0.000 1.470 400 H CB 0.598 30.298 29.762 -0.102 0.000 1.483 400 H HN -0.051 nan 8.280 nan 0.000 0.548 401 F N 3.477 123.281 119.950 -0.243 0.000 2.325 401 F HA 0.033 4.562 4.527 0.002 0.000 0.299 401 F C 2.322 178.104 175.800 -0.030 0.000 1.090 401 F CA 1.244 59.154 58.000 -0.151 0.000 1.392 401 F CB -0.111 38.762 39.000 -0.211 0.000 1.053 401 F HN 0.707 nan 8.300 nan 0.000 0.521 402 G N -0.656 108.251 108.800 0.178 0.000 2.848 402 G HA2 -0.130 3.831 3.960 0.003 0.000 0.208 402 G HA3 -0.130 3.831 3.960 0.003 0.000 0.208 402 G C 1.284 176.112 174.900 -0.120 0.000 1.152 402 G CA 0.127 45.251 45.100 0.039 0.000 0.789 402 G HN 0.290 nan 8.290 nan 0.000 0.531 403 K N 0.047 120.405 120.400 -0.069 0.000 2.564 403 K HA 0.187 4.509 4.320 0.003 0.000 0.205 403 K C -0.110 176.413 176.600 -0.128 0.000 1.053 403 K CA -0.059 56.150 56.287 -0.130 0.000 1.072 403 K CB 0.696 33.144 32.500 -0.088 0.000 0.822 403 K HN 0.141 nan 8.250 nan 0.000 0.497 404 K N 1.188 121.466 120.400 -0.203 0.000 2.318 404 K HA 0.453 4.775 4.320 0.003 0.000 0.249 404 K C -0.382 176.032 176.600 -0.310 0.000 0.942 404 K CA -1.065 55.075 56.287 -0.244 0.000 0.808 404 K CB 2.112 34.434 32.500 -0.298 0.000 1.189 404 K HN -0.183 nan 8.250 nan 0.000 0.428 405 R N 1.608 121.978 120.500 -0.216 0.000 2.803 405 R HA 0.502 4.844 4.340 0.003 0.000 0.276 405 R C -0.577 175.632 176.300 -0.152 0.000 0.978 405 R CA -0.946 55.046 56.100 -0.180 0.000 0.939 405 R CB 1.192 31.431 30.300 -0.101 0.000 1.179 405 R HN 0.533 nan 8.270 nan 0.000 0.472 406 L N 2.249 123.395 121.223 -0.128 0.000 2.272 406 L HA 0.295 4.636 4.340 0.003 0.000 0.289 406 L C -0.231 176.612 176.870 -0.046 0.000 1.032 406 L CA -0.598 54.193 54.840 -0.082 0.000 0.810 406 L CB 1.271 43.285 42.059 -0.076 0.000 1.205 406 L HN 0.260 nan 8.230 nan 0.000 0.422 407 D N 4.035 124.414 120.400 -0.034 0.000 2.336 407 D HA 0.322 4.963 4.640 0.003 0.000 0.249 407 D C -0.302 175.986 176.300 -0.020 0.000 1.213 407 D CA -0.097 53.896 54.000 -0.011 0.000 0.870 407 D CB 1.940 42.744 40.800 0.007 0.000 1.076 407 D HN 0.079 nan 8.370 nan 0.000 0.483 408 L N 1.561 122.782 121.223 -0.004 0.000 2.298 408 L HA 0.514 4.855 4.340 0.003 0.000 0.268 408 L C 1.553 178.439 176.870 0.027 0.000 1.010 408 L CA -0.547 54.289 54.840 -0.007 0.000 0.812 408 L CB 1.163 43.218 42.059 -0.005 0.000 1.331 408 L HN 0.381 nan 8.230 nan 0.000 0.450 409 A N 1.425 124.268 122.820 0.039 0.000 1.969 409 A HA -0.254 4.068 4.320 0.003 0.000 0.223 409 A C 1.763 179.421 177.584 0.123 0.000 1.218 409 A CA 2.555 54.661 52.037 0.114 0.000 0.667 409 A CB -1.773 17.314 19.000 0.145 0.000 0.826 409 A HN 0.984 nan 8.150 nan 0.000 0.472 410 G N -0.377 108.483 108.800 0.101 0.000 2.866 410 G HA2 -0.111 3.850 3.960 0.003 0.000 0.207 410 G HA3 -0.111 3.850 3.960 0.003 0.000 0.207 410 G C -0.423 174.424 174.900 -0.088 0.000 1.402 410 G CA 1.167 46.280 45.100 0.021 0.000 0.830 410 G HN 0.465 nan 8.290 nan 0.000 0.644 411 P HA -0.011 nan 4.420 nan 0.000 0.224 411 P C 1.886 179.222 177.300 0.060 0.000 1.142 411 P CA 0.520 63.644 63.100 0.040 0.000 0.778 411 P CB -0.062 31.668 31.700 0.050 0.000 0.764 412 L N -1.534 119.743 121.223 0.091 0.000 2.005 412 L HA -0.165 4.177 4.340 0.003 0.000 0.207 412 L C 2.307 179.352 176.870 0.291 0.000 1.072 412 L CA 1.478 56.493 54.840 0.292 0.000 0.744 412 L CB -0.833 41.397 42.059 0.285 0.000 0.895 412 L HN -0.019 nan 8.230 nan 0.000 0.433 413 L N -0.791 120.421 121.223 -0.019 0.000 2.201 413 L HA -0.160 4.181 4.340 0.003 0.000 0.212 413 L C 2.794 179.472 176.870 -0.321 0.000 1.105 413 L CA 0.796 55.443 54.840 -0.321 0.000 0.775 413 L CB -0.629 40.908 42.059 -0.870 0.000 0.913 413 L HN 0.241 nan 8.230 nan 0.000 0.440 414 A N -0.286 122.390 122.820 -0.241 0.000 1.873 414 A HA -0.302 4.020 4.320 0.003 0.000 0.218 414 A C 2.207 179.857 177.584 0.109 0.000 1.193 414 A CA 1.817 53.931 52.037 0.129 0.000 0.629 414 A CB -0.608 18.486 19.000 0.157 0.000 0.826 414 A HN 0.454 nan 8.150 nan 0.000 0.447 415 Q N -0.837 118.992 119.800 0.048 0.000 2.096 415 Q HA -0.233 4.109 4.340 0.003 0.000 0.208 415 Q C 2.194 178.155 176.000 -0.066 0.000 0.993 415 Q CA 1.849 57.659 55.803 0.012 0.000 0.862 415 Q CB -0.371 28.392 28.738 0.042 0.000 0.915 415 Q HN 0.703 nan 8.270 nan 0.000 0.416 416 L N -0.935 120.185 121.223 -0.173 0.000 2.044 416 L HA -0.157 4.185 4.340 0.003 0.000 0.205 416 L C 2.262 179.084 176.870 -0.079 0.000 1.075 416 L CA 0.875 55.562 54.840 -0.254 0.000 0.747 416 L CB -0.292 41.479 42.059 -0.480 0.000 0.903 416 L HN 0.168 nan 8.230 nan 0.000 0.435 417 F N 0.636 120.545 119.950 -0.068 0.000 2.171 417 F HA -0.225 4.304 4.527 0.002 0.000 0.300 417 F C 2.485 178.316 175.800 0.051 0.000 1.090 417 F CA 1.489 59.507 58.000 0.030 0.000 1.293 417 F CB -0.067 39.033 39.000 0.167 0.000 1.013 417 F HN -0.108 nan 8.300 nan 0.000 0.486 418 K N -0.562 119.941 120.400 0.172 0.000 2.020 418 K HA -0.198 4.124 4.320 0.003 0.000 0.212 418 K C 1.891 178.497 176.600 0.011 0.000 1.050 418 K CA 2.287 58.637 56.287 0.105 0.000 0.929 418 K CB -0.796 31.754 32.500 0.084 0.000 0.714 418 K HN 0.275 nan 8.250 nan 0.000 0.443 419 T N 1.760 116.285 114.554 -0.049 0.000 2.821 419 T HA -0.066 4.286 4.350 0.003 0.000 0.267 419 T C 2.010 176.628 174.700 -0.137 0.000 1.046 419 T CA 0.864 62.908 62.100 -0.093 0.000 1.139 419 T CB -0.117 68.685 68.868 -0.111 0.000 0.871 419 T HN 0.073 nan 8.240 nan 0.000 0.454 420 L N -0.367 120.742 121.223 -0.191 0.000 2.072 420 L HA 0.101 4.442 4.340 0.003 0.000 0.205 420 L C 2.219 178.915 176.870 -0.289 0.000 1.079 420 L CA 1.007 55.693 54.840 -0.258 0.000 0.752 420 L CB -0.395 41.472 42.059 -0.320 0.000 0.906 420 L HN 0.150 nan 8.230 nan 0.000 0.436 421 F N 0.711 120.344 119.950 -0.530 0.000 2.171 421 F HA -0.197 4.332 4.527 0.002 0.000 0.300 421 F C 2.368 178.009 175.800 -0.265 0.000 1.090 421 F CA 1.512 59.227 58.000 -0.475 0.000 1.293 421 F CB -0.118 38.596 39.000 -0.478 0.000 1.013 421 F HN -0.119 nan 8.300 nan 0.000 0.486 422 K N -0.062 120.223 120.400 -0.192 0.000 2.217 422 K HA -0.168 4.154 4.320 0.003 0.000 0.202 422 K C 2.089 178.566 176.600 -0.205 0.000 1.051 422 K CA 0.982 57.151 56.287 -0.197 0.000 0.952 422 K CB -0.104 32.344 32.500 -0.087 0.000 0.736 422 K HN 0.230 nan 8.250 nan 0.000 0.453 423 K N 1.198 121.480 120.400 -0.197 0.000 2.228 423 K HA -0.043 4.278 4.320 0.003 0.000 0.202 423 K C 2.033 178.526 176.600 -0.179 0.000 1.051 423 K CA 0.390 56.580 56.287 -0.162 0.000 0.960 423 K CB 0.135 32.550 32.500 -0.141 0.000 0.743 423 K HN 0.039 nan 8.250 nan 0.000 0.458 424 L N 0.535 121.599 121.223 -0.265 0.000 2.072 424 L HA -0.105 4.237 4.340 0.003 0.000 0.205 424 L C 1.979 178.683 176.870 -0.277 0.000 1.079 424 L CA 1.376 56.053 54.840 -0.272 0.000 0.752 424 L CB -0.341 41.510 42.059 -0.347 0.000 0.906 424 L HN 0.121 nan 8.230 nan 0.000 0.436 425 T N 0.472 114.779 114.554 -0.412 0.000 2.622 425 T HA -0.253 4.098 4.350 0.003 0.000 0.266 425 T C 1.499 176.167 174.700 -0.054 0.000 1.047 425 T CA 2.078 64.018 62.100 -0.267 0.000 1.159 425 T CB -0.242 68.419 68.868 -0.345 0.000 0.863 425 T HN 0.462 nan 8.240 nan 0.000 0.422 426 K N 0.863 121.219 120.400 -0.075 0.000 2.611 426 K HA 0.027 4.348 4.320 0.003 0.000 0.193 426 K C 1.381 178.001 176.600 0.033 0.000 1.026 426 K CA 0.817 57.095 56.287 -0.015 0.000 1.063 426 K CB 0.151 32.599 32.500 -0.085 0.000 0.839 426 K HN 0.165 nan 8.250 nan 0.000 0.505 427 D N 0.584 120.998 120.400 0.022 0.000 2.324 427 D HA 0.022 4.664 4.640 0.003 0.000 0.212 427 D C 1.617 177.984 176.300 0.112 0.000 0.984 427 D CA 0.379 54.408 54.000 0.049 0.000 0.885 427 D CB 0.377 41.175 40.800 -0.004 0.000 0.996 427 D HN 0.187 nan 8.370 nan 0.000 0.505 428 I N 0.634 121.267 120.570 0.104 0.000 2.353 428 I HA -0.148 4.023 4.170 0.003 0.000 0.248 428 I C 2.289 178.523 176.117 0.196 0.000 1.119 428 I CA 0.569 61.949 61.300 0.134 0.000 1.417 428 I CB -1.280 36.785 38.000 0.108 0.000 1.078 428 I HN -0.021 nan 8.210 nan 0.000 0.421 429 F N 1.955 121.942 119.950 0.062 0.000 2.216 429 F HA -0.166 4.362 4.527 0.002 0.000 0.300 429 F C 2.665 178.501 175.800 0.060 0.000 1.085 429 F CA 1.483 59.518 58.000 0.057 0.000 1.326 429 F CB -0.025 38.996 39.000 0.036 0.000 1.027 429 F HN -0.063 nan 8.300 nan 0.000 0.497 430 R N -2.007 118.669 120.500 0.293 0.000 2.246 430 R HA -0.085 4.257 4.340 0.003 0.000 0.199 430 R C 1.805 178.188 176.300 0.139 0.000 0.984 430 R CA 0.641 56.858 56.100 0.196 0.000 1.015 430 R CB -0.353 30.040 30.300 0.153 0.000 0.930 430 R HN 0.379 nan 8.270 nan 0.000 0.475 431 Y N 0.938 121.260 120.300 0.037 0.000 2.263 431 Y HA -0.090 4.461 4.550 0.003 0.000 0.292 431 Y C 2.019 177.908 175.900 -0.019 0.000 1.130 431 Y CA 1.462 59.568 58.100 0.009 0.000 1.179 431 Y CB 0.089 38.556 38.460 0.011 0.000 0.998 431 Y HN -0.107 nan 8.280 nan 0.000 0.532 432 M N -0.160 119.488 119.600 0.080 0.000 2.117 432 M HA -0.275 4.207 4.480 0.003 0.000 0.262 432 M C 2.164 178.387 176.300 -0.128 0.000 1.065 432 M CA 1.852 57.121 55.300 -0.050 0.000 1.114 432 M CB -0.370 32.168 32.600 -0.102 0.000 1.361 432 M HN 0.292 nan 8.290 nan 0.000 0.408 433 Q N 0.066 119.806 119.800 -0.101 0.000 2.112 433 Q HA -0.206 4.136 4.340 0.003 0.000 0.206 433 Q C 1.987 177.935 176.000 -0.087 0.000 0.987 433 Q CA 1.622 57.380 55.803 -0.074 0.000 0.858 433 Q CB -0.168 28.575 28.738 0.008 0.000 0.905 433 Q HN 0.510 nan 8.270 nan 0.000 0.420 434 R N -0.696 119.730 120.500 -0.122 0.000 2.240 434 R HA 0.037 4.378 4.340 0.003 0.000 0.203 434 R C 2.143 178.328 176.300 -0.192 0.000 1.011 434 R CA 1.035 57.049 56.100 -0.143 0.000 1.007 434 R CB 0.086 30.297 30.300 -0.148 0.000 0.911 434 R HN 0.159 nan 8.270 nan 0.000 0.468 435 T N 0.931 115.335 114.554 -0.250 0.000 2.590 435 T HA -0.103 4.248 4.350 0.003 0.000 0.257 435 T C 1.081 175.697 174.700 -0.140 0.000 1.080 435 T CA 1.688 63.652 62.100 -0.225 0.000 1.180 435 T CB -0.420 68.309 68.868 -0.232 0.000 0.865 435 T HN 0.203 nan 8.240 nan 0.000 0.403 436 V N 0.570 120.409 119.914 -0.125 0.000 4.842 436 V HA -0.240 3.881 4.120 0.003 0.000 0.241 436 V C -0.044 175.993 176.094 -0.094 0.000 0.638 436 V CA 0.815 63.051 62.300 -0.106 0.000 0.729 436 V CB -2.417 29.356 31.823 -0.084 0.000 0.619 436 V HN 0.534 nan 8.190 nan 0.000 0.925 447 A N 3.961 126.517 122.820 -0.439 0.000 2.617 447 A HA -0.246 4.076 4.320 0.003 0.000 0.236 447 A C 0.514 177.874 177.584 -0.374 0.000 0.514 447 A CA 1.603 53.153 52.037 -0.812 0.000 1.126 447 A CB -1.692 16.780 19.000 -0.881 0.000 1.393 447 A HN 0.531 nan 8.150 nan 0.000 0.693 448 I N 1.419 121.886 120.570 -0.172 0.000 2.662 448 I HA 0.049 4.221 4.170 0.003 0.000 0.285 448 I C 0.640 176.732 176.117 -0.041 0.000 1.161 448 I CA 0.575 61.837 61.300 -0.063 0.000 1.415 448 I CB 0.005 38.017 38.000 0.019 0.000 1.385 448 I HN 0.501 nan 8.210 nan 0.000 0.552 449 N N 6.003 124.677 118.700 -0.043 0.000 3.105 449 N HA 0.282 5.023 4.740 0.003 0.000 0.256 449 N C 0.814 176.320 175.510 -0.007 0.000 1.174 449 N CA -0.198 52.841 53.050 -0.018 0.000 1.030 449 N CB 0.756 39.227 38.487 -0.026 0.000 1.305 449 N HN 0.632 nan 8.380 nan 0.000 0.509 450 A N 2.294 125.138 122.820 0.039 0.000 2.125 450 A HA -0.118 4.203 4.320 0.003 0.000 0.219 450 A C 2.088 179.695 177.584 0.038 0.000 1.156 450 A CA 0.969 53.025 52.037 0.031 0.000 0.671 450 A CB -0.270 18.834 19.000 0.173 0.000 0.794 450 A HN 0.582 nan 8.150 nan 0.000 0.459 451 K N -0.471 119.963 120.400 0.056 0.000 2.148 451 K HA -0.114 4.208 4.320 0.003 0.000 0.204 451 K C 1.883 178.489 176.600 0.010 0.000 1.050 451 K CA 1.628 57.945 56.287 0.050 0.000 0.942 451 K CB -0.244 32.286 32.500 0.050 0.000 0.724 451 K HN 0.519 nan 8.250 nan 0.000 0.446 452 T N 1.851 116.392 114.554 -0.022 0.000 2.607 452 T HA -0.179 4.173 4.350 0.003 0.000 0.267 452 T C 1.892 176.548 174.700 -0.073 0.000 1.049 452 T CA 1.615 63.682 62.100 -0.055 0.000 1.162 452 T CB -0.217 68.602 68.868 -0.082 0.000 0.863 452 T HN 0.182 nan 8.240 nan 0.000 0.424 453 I N 1.077 121.590 120.570 -0.096 0.000 2.252 453 I HA -0.180 3.992 4.170 0.003 0.000 0.245 453 I C 2.737 178.832 176.117 -0.037 0.000 1.102 453 I CA 1.159 62.392 61.300 -0.112 0.000 1.385 453 I CB -0.724 37.181 38.000 -0.158 0.000 1.064 453 I HN 0.312 nan 8.210 nan 0.000 0.414 454 T N 0.125 114.673 114.554 -0.010 0.000 2.622 454 T HA -0.204 4.148 4.350 0.003 0.000 0.266 454 T C 1.999 176.722 174.700 0.039 0.000 1.047 454 T CA 2.106 64.225 62.100 0.032 0.000 1.159 454 T CB -0.377 68.535 68.868 0.073 0.000 0.863 454 T HN 0.490 nan 8.240 nan 0.000 0.422 455 S N 0.873 116.596 115.700 0.039 0.000 2.470 455 S HA 0.147 4.619 4.470 0.003 0.000 0.225 455 S C 2.300 176.941 174.600 0.068 0.000 1.006 455 S CA 0.884 59.121 58.200 0.062 0.000 0.934 455 S CB -0.532 62.709 63.200 0.068 0.000 0.778 455 S HN 0.501 nan 8.310 nan 0.000 0.517 456 G N 1.453 110.257 108.800 0.007 0.000 2.448 456 G HA2 0.091 4.052 3.960 0.003 0.000 0.218 456 G HA3 0.091 4.052 3.960 0.003 0.000 0.218 456 G C 1.377 176.258 174.900 -0.031 0.000 1.135 456 G CA 0.522 45.599 45.100 -0.037 0.000 0.784 456 G HN 0.505 nan 8.290 nan 0.000 0.543 457 L N -0.608 120.609 121.223 -0.010 0.000 2.162 457 L HA 0.133 4.474 4.340 0.003 0.000 0.205 457 L C 2.885 179.782 176.870 0.045 0.000 1.086 457 L CA 0.764 55.595 54.840 -0.014 0.000 0.778 457 L CB -0.108 41.965 42.059 0.024 0.000 0.928 457 L HN 0.107 nan 8.230 nan 0.000 0.446 458 K N -0.847 119.597 120.400 0.073 0.000 2.025 458 K HA -0.217 4.104 4.320 0.003 0.000 0.207 458 K C 2.038 178.725 176.600 0.144 0.000 1.049 458 K CA 1.597 57.939 56.287 0.091 0.000 0.933 458 K CB -0.313 32.230 32.500 0.073 0.000 0.714 458 K HN 0.144 nan 8.250 nan 0.000 0.438 459 Y N 1.208 121.530 120.300 0.037 0.000 2.053 459 Y HA -0.371 4.181 4.550 0.003 0.000 0.277 459 Y C 2.238 178.192 175.900 0.090 0.000 1.159 459 Y CA 1.807 59.938 58.100 0.051 0.000 1.125 459 Y CB -0.261 38.214 38.460 0.025 0.000 0.969 459 Y HN 0.098 nan 8.280 nan 0.000 0.492 460 A N 0.167 123.252 122.820 0.441 0.000 1.883 460 A HA -0.238 4.084 4.320 0.003 0.000 0.217 460 A C 2.244 180.130 177.584 0.504 0.000 1.186 460 A CA 1.940 54.224 52.037 0.411 0.000 0.624 460 A CB -1.233 17.794 19.000 0.044 0.000 0.822 460 A HN 0.610 nan 8.150 nan 0.000 0.444 461 L N -1.283 120.189 121.223 0.415 0.000 2.465 461 L HA -0.030 4.312 4.340 0.003 0.000 0.224 461 L C 2.623 179.654 176.870 0.269 0.000 1.145 461 L CA 0.700 55.807 54.840 0.446 0.000 0.834 461 L CB -0.130 42.119 42.059 0.318 0.000 0.944 461 L HN 0.448 nan 8.230 nan 0.000 0.451 462 A N -1.424 121.497 122.820 0.169 0.000 1.924 462 A HA -0.010 4.312 4.320 0.003 0.000 0.211 462 A C 2.084 179.688 177.584 0.034 0.000 1.198 462 A CA 1.369 53.450 52.037 0.073 0.000 0.657 462 A CB -0.365 18.631 19.000 -0.008 0.000 0.852 462 A HN 0.337 nan 8.150 nan 0.000 0.454 463 T N -1.610 112.953 114.554 0.015 0.000 3.000 463 T HA 0.425 4.777 4.350 0.003 0.000 0.233 463 T C 1.557 176.306 174.700 0.082 0.000 1.036 463 T CA 1.373 63.473 62.100 0.000 0.000 1.333 463 T CB -0.269 68.567 68.868 -0.054 0.000 1.048 463 T HN 0.981 nan 8.240 nan 0.000 0.425 464 G N 0.859 109.757 108.800 0.164 0.000 3.609 464 G HA2 -0.092 3.869 3.960 0.003 0.000 0.219 464 G HA3 -0.092 3.869 3.960 0.003 0.000 0.219 464 G C -0.283 174.749 174.900 0.221 0.000 0.951 464 G CA -0.645 44.536 45.100 0.136 0.000 0.867 464 G HN 0.358 nan 8.290 nan 0.000 0.478 465 N N 1.634 120.496 118.700 0.271 0.000 2.605 465 N HA 0.050 4.791 4.740 0.003 0.000 0.282 465 N C -0.284 175.450 175.510 0.375 0.000 1.206 465 N CA -0.215 53.008 53.050 0.288 0.000 1.074 465 N CB -0.212 38.443 38.487 0.280 0.000 1.434 465 N HN 0.499 nan 8.380 nan 0.000 0.506 466 W N 1.557 122.905 121.300 0.080 0.000 2.611 466 W HA 0.191 4.852 4.660 0.002 0.000 0.444 466 W C 0.408 176.948 176.519 0.035 0.000 1.103 466 W CA -0.219 57.163 57.345 0.061 0.000 1.638 466 W CB 0.024 29.510 29.460 0.043 0.000 1.697 466 W HN 0.606 nan 8.180 nan 0.000 0.409 467 G N 2.604 111.395 108.800 -0.015 0.000 4.207 467 G HA2 -0.090 3.871 3.960 0.003 0.000 0.222 467 G HA3 -0.090 3.871 3.960 0.003 0.000 0.222 467 G C -0.108 174.713 174.900 -0.132 0.000 0.850 467 G CA -0.117 44.925 45.100 -0.096 0.000 1.149 467 G HN 0.467 nan 8.290 nan 0.000 0.751 468 E N -1.655 118.442 120.200 -0.171 0.000 3.063 468 E HA -0.332 4.019 4.350 0.003 0.000 0.278 468 E C 1.416 177.745 176.600 -0.452 0.000 1.396 468 E CA 1.692 57.891 56.400 -0.335 0.000 1.759 468 E CB -0.788 28.753 29.700 -0.265 0.000 1.971 468 E HN 0.492 nan 8.360 nan 0.000 0.538 469 Q N 1.223 120.782 119.800 -0.402 0.000 2.444 469 Q HA 0.136 4.477 4.340 0.003 0.000 0.206 469 Q C 1.405 177.322 176.000 -0.139 0.000 0.948 469 Q CA 1.370 56.983 55.803 -0.316 0.000 0.946 469 Q CB 0.044 28.637 28.738 -0.242 0.000 1.027 469 Q HN 0.269 nan 8.270 nan 0.000 0.513 470 K N 1.186 121.521 120.400 -0.108 0.000 2.076 470 K HA -0.100 4.222 4.320 0.003 0.000 0.204 470 K C 0.782 177.373 176.600 -0.014 0.000 1.051 470 K CA 1.216 57.471 56.287 -0.052 0.000 0.949 470 K CB 0.019 32.490 32.500 -0.049 0.000 0.726 470 K HN 0.335 nan 8.250 nan 0.000 0.443 471 K N -1.167 119.236 120.400 0.005 0.000 3.526 471 K HA -0.330 3.991 4.320 0.003 0.000 0.295 471 K C 1.107 177.732 176.600 0.042 0.000 1.171 471 K CA 1.678 57.994 56.287 0.049 0.000 1.040 471 K CB -2.143 30.399 32.500 0.071 0.000 1.370 471 K HN 0.154 nan 8.250 nan 0.000 0.417 472 A N 0.753 123.587 122.820 0.023 0.000 1.978 472 A HA 0.116 4.437 4.320 0.003 0.000 0.220 472 A C 1.251 178.849 177.584 0.025 0.000 1.170 472 A CA 1.453 53.502 52.037 0.019 0.000 0.636 472 A CB -0.380 18.624 19.000 0.007 0.000 0.810 472 A HN 0.483 nan 8.150 nan 0.000 0.448 473 M N 1.747 121.364 119.600 0.028 0.000 2.513 473 M HA 0.004 4.485 4.480 0.003 0.000 0.341 473 M C 1.053 177.389 176.300 0.060 0.000 1.689 473 M CA 0.193 55.518 55.300 0.041 0.000 1.202 473 M CB 0.391 33.019 32.600 0.046 0.000 1.996 473 M HN 0.439 nan 8.290 nan 0.000 0.458 474 S N -0.093 115.637 115.700 0.050 0.000 2.881 474 S HA -0.041 4.430 4.470 0.003 0.000 0.228 474 S C 1.292 175.927 174.600 0.057 0.000 0.965 474 S CA 0.275 58.504 58.200 0.049 0.000 0.998 474 S CB -0.657 62.564 63.200 0.035 0.000 0.795 474 S HN 0.785 nan 8.310 nan 0.000 0.518 475 S N 1.681 117.432 115.700 0.085 0.000 2.547 475 S HA -0.051 4.421 4.470 0.003 0.000 0.235 475 S C 1.668 176.320 174.600 0.086 0.000 0.980 475 S CA 0.116 58.375 58.200 0.098 0.000 0.941 475 S CB -0.411 62.903 63.200 0.189 0.000 0.763 475 S HN 0.638 nan 8.310 nan 0.000 0.532 476 R N 2.451 123.006 120.500 0.092 0.000 2.227 476 R HA -0.206 4.136 4.340 0.003 0.000 0.259 476 R C 1.424 177.751 176.300 0.046 0.000 1.139 476 R CA 1.355 57.505 56.100 0.083 0.000 0.969 476 R CB -1.535 28.805 30.300 0.067 0.000 0.903 476 R HN 0.518 nan 8.270 nan 0.000 0.452 477 A N 1.722 124.554 122.820 0.020 0.000 3.149 477 A HA 0.078 4.399 4.320 0.003 0.000 0.291 477 A C 1.258 178.820 177.584 -0.036 0.000 1.907 477 A CA 0.788 52.820 52.037 -0.008 0.000 1.255 477 A CB -1.564 17.425 19.000 -0.018 0.000 0.873 477 A HN 0.598 nan 8.150 nan 0.000 0.578 478 G N 1.196 109.985 108.800 -0.018 0.000 2.471 478 G HA2 -0.180 3.782 3.960 0.003 0.000 0.301 478 G HA3 -0.180 3.782 3.960 0.003 0.000 0.301 478 G C 0.317 175.165 174.900 -0.086 0.000 0.902 478 G CA 0.405 45.487 45.100 -0.028 0.000 1.002 478 G HN 1.224 nan 8.290 nan 0.000 0.509 479 V N 0.150 119.974 119.914 -0.150 0.000 2.585 479 V HA 0.416 4.537 4.120 0.003 0.000 0.296 479 V C 1.155 177.083 176.094 -0.276 0.000 1.035 479 V CA 0.864 62.962 62.300 -0.336 0.000 1.084 479 V CB 0.939 32.378 31.823 -0.641 0.000 0.953 479 V HN 1.892 nan 8.190 nan 0.000 0.483 480 S N 3.765 119.317 115.700 -0.247 0.000 3.393 480 S HA -0.146 4.326 4.470 0.003 0.000 0.655 480 S C -0.549 174.048 174.600 -0.005 0.000 0.634 480 S CA 0.444 58.593 58.200 -0.085 0.000 1.428 480 S CB -0.564 62.641 63.200 0.008 0.000 0.998 480 S HN 0.876 nan 8.310 nan 0.000 0.915 481 Q N 2.150 121.974 119.800 0.040 0.000 2.297 481 Q HA 0.628 4.969 4.340 0.003 0.000 0.269 481 Q C 0.297 176.333 176.000 0.060 0.000 1.051 481 Q CA -0.758 55.094 55.803 0.082 0.000 0.869 481 Q CB 1.704 30.554 28.738 0.187 0.000 1.346 481 Q HN 0.784 nan 8.270 nan 0.000 0.457 482 V N 1.239 121.144 119.914 -0.016 0.000 2.149 482 V HA -0.007 4.114 4.120 0.003 0.000 0.245 482 V C 1.273 177.257 176.094 -0.183 0.000 1.349 482 V CA -0.254 62.008 62.300 -0.062 0.000 1.289 482 V CB -1.328 30.464 31.823 -0.051 0.000 1.401 482 V HN 0.736 nan 8.190 nan 0.000 0.501 483 L N 2.170 123.279 121.223 -0.190 0.000 4.244 483 L HA -0.341 4.001 4.340 0.003 0.000 0.053 483 L C 0.765 177.266 176.870 -0.614 0.000 3.539 483 L CA 2.817 57.459 54.840 -0.330 0.000 1.401 483 L CB -1.355 40.550 42.059 -0.257 0.000 3.057 483 L HN 1.374 nan 8.230 nan 0.000 0.787 484 N N -1.107 117.351 118.700 -0.403 0.000 5.409 484 N HA -0.044 4.698 4.740 0.003 0.000 0.198 484 N C -0.615 174.735 175.510 -0.266 0.000 1.834 484 N CA 0.602 53.445 53.050 -0.346 0.000 2.249 484 N CB -0.493 37.732 38.487 -0.437 0.000 0.871 484 N HN 0.512 nan 8.380 nan 0.000 0.800 485 R N 3.105 123.437 120.500 -0.280 0.000 2.886 485 R HA 0.200 4.542 4.340 0.003 0.000 0.306 485 R C -0.164 175.837 176.300 -0.500 0.000 1.300 485 R CA -0.404 55.462 56.100 -0.390 0.000 1.441 485 R CB 0.113 30.089 30.300 -0.541 0.000 1.328 485 R HN 0.563 nan 8.270 nan 0.000 0.629 486 Y N 0.167 120.297 120.300 -0.284 0.000 2.347 486 Y HA 0.150 4.702 4.550 0.002 0.000 0.294 486 Y C 0.408 176.307 175.900 -0.003 0.000 1.117 486 Y CA 1.062 59.057 58.100 -0.174 0.000 1.184 486 Y CB 1.125 39.522 38.460 -0.106 0.000 1.047 486 Y HN -0.068 nan 8.280 nan 0.000 0.546 487 T N -1.174 113.503 114.554 0.205 0.000 2.982 487 T HA 0.075 4.426 4.350 0.003 0.000 0.321 487 T C -0.430 174.420 174.700 0.249 0.000 1.229 487 T CA -0.654 61.601 62.100 0.258 0.000 1.044 487 T CB 1.120 70.159 68.868 0.284 0.000 1.184 487 T HN 0.115 nan 8.240 nan 0.000 0.477 488 Y N 2.989 123.383 120.300 0.156 0.000 2.139 488 Y HA -0.253 4.298 4.550 0.002 0.000 0.282 488 Y C 2.647 178.612 175.900 0.108 0.000 1.179 488 Y CA 2.739 60.906 58.100 0.112 0.000 1.161 488 Y CB -0.360 38.123 38.460 0.038 0.000 0.970 488 Y HN 0.705 nan 8.280 nan 0.000 0.511 489 S N -1.046 114.740 115.700 0.143 0.000 2.402 489 S HA -0.203 4.269 4.470 0.003 0.000 0.229 489 S C 2.238 176.818 174.600 -0.032 0.000 1.021 489 S CA 1.273 59.490 58.200 0.030 0.000 0.974 489 S CB -1.212 62.078 63.200 0.151 0.000 0.800 489 S HN 0.620 nan 8.310 nan 0.000 0.484 490 S N 1.618 117.330 115.700 0.020 0.000 2.383 490 S HA -0.126 4.346 4.470 0.003 0.000 0.227 490 S C 1.901 176.468 174.600 -0.054 0.000 1.026 490 S CA 1.501 59.698 58.200 -0.005 0.000 0.981 490 S CB -1.609 61.605 63.200 0.024 0.000 0.818 490 S HN 0.567 nan 8.310 nan 0.000 0.472 491 T N 3.667 118.158 114.554 -0.104 0.000 2.622 491 T HA -0.024 4.327 4.350 0.003 0.000 0.266 491 T C 1.763 176.359 174.700 -0.174 0.000 1.047 491 T CA 1.773 63.775 62.100 -0.163 0.000 1.159 491 T CB -0.775 67.978 68.868 -0.191 0.000 0.863 491 T HN 0.341 nan 8.240 nan 0.000 0.422 492 L N 0.955 122.023 121.223 -0.259 0.000 1.997 492 L HA -0.222 4.119 4.340 0.003 0.000 0.216 492 L C 2.905 179.707 176.870 -0.114 0.000 1.074 492 L CA 1.739 56.455 54.840 -0.206 0.000 0.763 492 L CB -0.956 40.962 42.059 -0.236 0.000 0.890 492 L HN 0.323 nan 8.230 nan 0.000 0.434 493 S N -1.181 114.467 115.700 -0.087 0.000 2.359 493 S HA -0.305 4.166 4.470 0.003 0.000 0.223 493 S C 2.151 176.721 174.600 -0.051 0.000 1.039 493 S CA 1.532 59.696 58.200 -0.061 0.000 1.042 493 S CB -0.507 62.667 63.200 -0.042 0.000 0.915 493 S HN 0.512 nan 8.310 nan 0.000 0.439 494 H N 0.575 119.572 119.070 -0.121 0.000 2.456 494 H HA 0.006 4.563 4.556 0.003 0.000 0.296 494 H C 2.007 177.258 175.328 -0.128 0.000 1.079 494 H CA 1.614 57.589 56.048 -0.122 0.000 1.322 494 H CB -0.137 29.545 29.762 -0.133 0.000 1.388 494 H HN 0.411 nan 8.280 nan 0.000 0.538 495 L N 0.103 121.281 121.223 -0.075 0.000 2.109 495 L HA -0.059 4.282 4.340 0.003 0.000 0.207 495 L C 1.584 178.375 176.870 -0.131 0.000 1.086 495 L CA 0.846 55.620 54.840 -0.110 0.000 0.760 495 L CB -0.043 41.961 42.059 -0.092 0.000 0.910 495 L HN 0.054 nan 8.230 nan 0.000 0.437 496 R N 0.362 120.792 120.500 -0.116 0.000 3.541 496 R HA 0.184 4.526 4.340 0.003 0.000 0.277 496 R C 0.009 176.235 176.300 -0.122 0.000 1.539 496 R CA -0.138 55.899 56.100 -0.104 0.000 1.338 496 R CB -0.075 30.180 30.300 -0.076 0.000 1.343 496 R HN 0.162 nan 8.270 nan 0.000 0.623 497 R N 0.009 120.407 120.500 -0.170 0.000 2.668 497 R HA 0.357 4.698 4.340 0.003 0.000 0.279 497 R C -0.706 175.505 176.300 -0.147 0.000 0.976 497 R CA -0.224 55.766 56.100 -0.183 0.000 0.978 497 R CB 1.733 31.852 30.300 -0.302 0.000 1.133 497 R HN -0.051 nan 8.270 nan 0.000 0.484 498 T N 1.922 116.409 114.554 -0.111 0.000 2.876 498 T HA 0.362 4.713 4.350 0.003 0.000 0.289 498 T C -1.239 173.419 174.700 -0.070 0.000 1.014 498 T CA -0.697 61.360 62.100 -0.070 0.000 0.986 498 T CB 1.330 70.191 68.868 -0.012 0.000 1.021 498 T HN 0.461 nan 8.240 nan 0.000 0.458 499 N N 0.840 119.503 118.700 -0.062 0.000 2.229 499 N HA 0.620 5.361 4.740 0.003 0.000 0.298 499 N C -1.593 173.900 175.510 -0.028 0.000 1.114 499 N CA -0.420 52.597 53.050 -0.056 0.000 0.776 499 N CB 2.018 40.456 38.487 -0.082 0.000 1.501 499 N HN 0.557 nan 8.380 nan 0.000 0.474 500 T N 2.544 117.089 114.554 -0.014 0.000 2.921 500 T HA 0.508 4.860 4.350 0.003 0.000 0.297 500 T C -2.595 172.105 174.700 0.000 0.000 1.013 500 T CA -0.914 61.188 62.100 0.003 0.000 0.990 500 T CB 1.964 70.849 68.868 0.029 0.000 1.023 500 T HN 0.416 nan 8.240 nan 0.000 0.447 501 P HA 0.511 nan 4.420 nan 0.000 0.272 501 P C 0.395 177.702 177.300 0.011 0.000 1.240 501 P CA -0.281 62.822 63.100 0.005 0.000 0.791 501 P CB 0.507 32.212 31.700 0.008 0.000 0.978 510 K N 3.331 123.737 120.400 0.011 0.000 2.423 510 K HA 0.480 4.801 4.320 0.003 0.000 0.234 510 K C -2.184 174.434 176.600 0.029 0.000 1.051 510 K CA -1.527 54.772 56.287 0.020 0.000 1.021 510 K CB 1.561 34.075 32.500 0.022 0.000 1.474 510 K HN 0.434 nan 8.250 nan 0.000 0.474 511 P HA 0.143 nan 4.420 nan 0.000 0.254 511 P C -0.055 177.277 177.300 0.053 0.000 1.494 511 P CA -0.028 63.098 63.100 0.044 0.000 0.961 511 P CB 0.589 32.312 31.700 0.039 0.000 1.493 512 R N -1.145 119.379 120.500 0.041 0.000 2.221 512 R HA 0.170 4.511 4.340 0.003 0.000 0.195 512 R C 0.652 176.967 176.300 0.026 0.000 0.956 512 R CA -0.068 56.046 56.100 0.023 0.000 1.064 512 R CB -0.085 30.219 30.300 0.007 0.000 1.049 512 R HN 0.143 nan 8.270 nan 0.000 0.534 513 Q N 1.539 121.367 119.800 0.047 0.000 2.300 513 Q HA 0.048 4.389 4.340 0.003 0.000 0.280 513 Q C -0.781 175.278 176.000 0.099 0.000 1.033 513 Q CA -0.001 55.834 55.803 0.054 0.000 0.903 513 Q CB 0.761 29.536 28.738 0.061 0.000 1.195 513 Q HN 0.052 nan 8.270 nan 0.000 0.386 514 L N 4.321 125.578 121.223 0.057 0.000 2.638 514 L HA 0.000 4.342 4.340 0.003 0.000 0.273 514 L C -0.567 176.421 176.870 0.197 0.000 1.147 514 L CA 0.561 55.459 54.840 0.095 0.000 0.941 514 L CB -0.351 41.705 42.059 -0.006 0.000 1.251 514 L HN 0.591 nan 8.230 nan 0.000 0.479 515 H N 3.848 123.092 119.070 0.289 0.000 2.610 515 H HA 0.219 4.776 4.556 0.002 0.000 0.336 515 H C 1.223 176.528 175.328 -0.038 0.000 1.087 515 H CA 0.298 56.367 56.048 0.033 0.000 1.405 515 H CB 0.728 30.408 29.762 -0.137 0.000 1.460 515 H HN 0.738 nan 8.280 nan 0.000 0.538 516 N N 1.809 120.094 118.700 -0.691 0.000 2.089 516 N HA -0.294 4.448 4.740 0.003 0.000 0.198 516 N C 1.502 176.883 175.510 -0.214 0.000 1.017 516 N CA 2.298 55.103 53.050 -0.408 0.000 0.880 516 N CB -0.288 37.912 38.487 -0.479 0.000 1.042 516 N HN 0.791 nan 8.380 nan 0.000 0.446 517 T N -0.668 113.739 114.554 -0.246 0.000 2.778 517 T HA -0.203 4.148 4.350 0.003 0.000 0.269 517 T C 1.579 176.224 174.700 -0.092 0.000 1.050 517 T CA 1.220 63.231 62.100 -0.148 0.000 1.137 517 T CB -0.696 68.043 68.868 -0.215 0.000 0.860 517 T HN 0.301 nan 8.240 nan 0.000 0.468 518 H N -0.118 118.865 119.070 -0.145 0.000 2.460 518 H HA -0.040 4.517 4.556 0.003 0.000 0.297 518 H C 1.037 176.301 175.328 -0.105 0.000 1.103 518 H CA 0.849 56.717 56.048 -0.300 0.000 1.292 518 H CB -0.701 28.883 29.762 -0.297 0.000 1.376 518 H HN 0.620 nan 8.280 nan 0.000 0.531 519 W N 2.161 123.429 121.300 -0.053 0.000 2.385 519 W HA 0.082 4.743 4.660 0.003 0.000 0.336 519 W C 0.810 177.299 176.519 -0.050 0.000 1.351 519 W CA 1.501 58.815 57.345 -0.052 0.000 1.295 519 W CB -0.056 29.372 29.460 -0.054 0.000 1.239 519 W HN 0.481 nan 8.180 nan 0.000 0.565 520 G N 4.206 112.620 108.800 -0.643 0.000 2.168 520 G HA2 -0.336 3.626 3.960 0.003 0.000 0.263 520 G HA3 -0.336 3.626 3.960 0.003 0.000 0.263 520 G C 0.449 175.217 174.900 -0.220 0.000 0.977 520 G CA 0.668 45.463 45.100 -0.508 0.000 0.659 520 G HN 0.594 nan 8.290 nan 0.000 0.533 521 L N -1.705 119.431 121.223 -0.145 0.000 2.666 521 L HA 0.370 4.712 4.340 0.003 0.000 0.184 521 L C 1.036 177.843 176.870 -0.106 0.000 1.092 521 L CA 0.087 54.887 54.840 -0.066 0.000 0.857 521 L CB 0.061 42.162 42.059 0.069 0.000 1.281 521 L HN 0.046 nan 8.230 nan 0.000 0.489 522 V N 0.179 119.987 119.914 -0.177 0.000 2.532 522 V HA 0.176 4.298 4.120 0.003 0.000 0.295 522 V C -0.191 175.763 176.094 -0.232 0.000 1.041 522 V CA -1.005 61.155 62.300 -0.235 0.000 0.926 522 V CB 2.112 33.677 31.823 -0.429 0.000 0.992 522 V HN 0.346 nan 8.190 nan 0.000 0.457 523 C N 8.114 127.294 119.300 -0.199 0.000 2.627 523 C HA 0.283 4.745 4.460 0.003 0.000 0.404 523 C C -0.087 174.797 174.990 -0.176 0.000 1.340 523 C CA -1.110 57.806 59.018 -0.170 0.000 1.758 523 C CB 0.246 27.906 27.740 -0.133 0.000 2.501 523 C HN 0.841 nan 8.230 nan 0.000 0.588 524 P HA -0.065 nan 4.420 nan 0.000 0.218 524 P C 1.010 178.248 177.300 -0.104 0.000 1.149 524 P CA 2.256 65.289 63.100 -0.112 0.000 0.817 524 P CB 0.149 31.820 31.700 -0.047 0.000 0.785 525 A N -0.279 122.487 122.820 -0.091 0.000 1.942 525 A HA 0.045 4.366 4.320 0.003 0.000 0.209 525 A C 1.323 178.845 177.584 -0.102 0.000 1.214 525 A CA 0.014 52.002 52.037 -0.083 0.000 0.686 525 A CB -0.845 18.125 19.000 -0.050 0.000 0.871 525 A HN 0.108 nan 8.150 nan 0.000 0.460 526 E N 0.944 121.084 120.200 -0.101 0.000 2.328 526 E HA 0.332 4.684 4.350 0.003 0.000 0.265 526 E C -0.530 176.003 176.600 -0.112 0.000 1.057 526 E CA 0.436 56.777 56.400 -0.098 0.000 0.916 526 E CB 0.137 29.783 29.700 -0.091 0.000 0.993 526 E HN 0.321 nan 8.360 nan 0.000 0.446 527 T N 4.239 118.728 114.554 -0.108 0.000 3.033 527 T HA 0.236 4.587 4.350 0.003 0.000 0.362 527 T C -2.903 171.738 174.700 -0.099 0.000 1.723 527 T CA -1.340 60.697 62.100 -0.106 0.000 1.110 527 T CB 1.135 69.932 68.868 -0.118 0.000 1.515 527 T HN 0.243 nan 8.240 nan 0.000 0.484 528 P HA 0.349 nan 4.420 nan 0.000 0.274 528 P C -0.857 176.402 177.300 -0.069 0.000 1.231 528 P CA -0.243 62.821 63.100 -0.061 0.000 0.790 528 P CB 0.754 32.428 31.700 -0.042 0.000 0.951 529 E N 0.234 120.401 120.200 -0.055 0.000 2.191 529 E HA 0.448 4.800 4.350 0.003 0.000 0.278 529 E C 0.618 177.209 176.600 -0.015 0.000 0.972 529 E CA -0.223 56.148 56.400 -0.048 0.000 0.804 529 E CB 0.663 30.341 29.700 -0.036 0.000 1.110 529 E HN 0.740 nan 8.360 nan 0.000 0.394 530 G N 3.208 112.000 108.800 -0.014 0.000 2.552 530 G HA2 -0.462 3.500 3.960 0.003 0.000 0.267 530 G HA3 -0.462 3.500 3.960 0.003 0.000 0.267 530 G C 0.844 175.738 174.900 -0.009 0.000 1.174 530 G CA 0.455 45.552 45.100 -0.005 0.000 0.955 530 G HN 0.697 nan 8.290 nan 0.000 0.546 531 Q N -0.815 118.982 119.800 -0.006 0.000 2.440 531 Q HA -0.279 4.063 4.340 0.003 0.000 0.228 531 Q C 1.949 177.944 176.000 -0.009 0.000 1.100 531 Q CA 3.124 58.923 55.803 -0.006 0.000 0.991 531 Q CB -0.639 28.095 28.738 -0.006 0.000 1.027 531 Q HN 1.992 nan 8.270 nan 0.000 0.528 532 A N -0.497 122.314 122.820 -0.015 0.000 3.253 532 A HA 0.333 4.654 4.320 0.003 0.000 0.290 532 A C -0.743 176.825 177.584 -0.027 0.000 0.950 532 A CA -0.566 51.461 52.037 -0.018 0.000 0.986 532 A CB 0.485 19.474 19.000 -0.019 0.000 1.104 532 A HN 0.475 nan 8.150 nan 0.000 0.481 533 C N 0.663 119.946 119.300 -0.027 0.000 2.648 533 C HA 0.465 4.927 4.460 0.003 0.000 0.415 533 C C 1.890 176.856 174.990 -0.041 0.000 1.366 533 C CA 1.736 60.730 59.018 -0.041 0.000 1.756 533 C CB -1.378 26.338 27.740 -0.039 0.000 2.549 533 C HN 1.951 nan 8.230 nan 0.000 0.597 534 G N 4.875 113.640 108.800 -0.058 0.000 2.220 534 G HA2 -0.287 3.674 3.960 0.003 0.000 0.269 534 G HA3 -0.287 3.674 3.960 0.003 0.000 0.269 534 G C 0.640 175.515 174.900 -0.041 0.000 0.977 534 G CA 0.823 45.886 45.100 -0.062 0.000 0.634 534 G HN 0.757 nan 8.290 nan 0.000 0.539 535 L N -0.287 120.920 121.223 -0.027 0.000 2.209 535 L HA 0.228 4.570 4.340 0.003 0.000 0.207 535 L C 1.376 178.235 176.870 -0.020 0.000 1.094 535 L CA 0.471 55.305 54.840 -0.009 0.000 0.790 535 L CB 0.007 42.062 42.059 -0.005 0.000 0.932 535 L HN 0.158 nan 8.230 nan 0.000 0.447 536 V N 1.685 121.574 119.914 -0.041 0.000 2.432 536 V HA 0.230 4.351 4.120 0.003 0.000 0.275 536 V C -0.036 176.012 176.094 -0.077 0.000 1.043 536 V CA -0.471 61.795 62.300 -0.056 0.000 0.925 536 V CB 1.283 33.069 31.823 -0.062 0.000 0.985 536 V HN 0.114 nan 8.190 nan 0.000 0.466 537 K N 3.823 124.177 120.400 -0.077 0.000 2.328 537 K HA 0.566 4.887 4.320 0.003 0.000 0.246 537 K C -1.061 175.478 176.600 -0.101 0.000 0.955 537 K CA -0.882 55.343 56.287 -0.104 0.000 0.817 537 K CB 2.082 34.527 32.500 -0.093 0.000 1.208 537 K HN 0.474 nan 8.250 nan 0.000 0.432 538 N N 1.875 120.506 118.700 -0.115 0.000 2.321 538 N HA 0.387 5.128 4.740 0.003 0.000 0.299 538 N C -0.411 175.036 175.510 -0.104 0.000 1.048 538 N CA -0.626 52.362 53.050 -0.104 0.000 0.836 538 N CB 1.738 40.165 38.487 -0.100 0.000 1.269 538 N HN 0.423 nan 8.380 nan 0.000 0.486 539 L N -0.420 120.753 121.223 -0.084 0.000 2.357 539 L HA 0.595 4.936 4.340 0.003 0.000 0.273 539 L C 1.206 178.021 176.870 -0.091 0.000 1.080 539 L CA -0.840 53.952 54.840 -0.079 0.000 0.803 539 L CB 0.759 42.788 42.059 -0.050 0.000 1.174 539 L HN 0.450 nan 8.230 nan 0.000 0.443 540 S N 2.384 118.016 115.700 -0.113 0.000 2.617 540 S HA 0.244 4.715 4.470 0.003 0.000 0.255 540 S C 1.163 175.707 174.600 -0.093 0.000 1.318 540 S CA -0.502 57.624 58.200 -0.123 0.000 0.978 540 S CB 0.406 63.498 63.200 -0.180 0.000 0.961 540 S HN 0.740 nan 8.310 nan 0.000 0.582 541 L N -0.192 120.989 121.223 -0.070 0.000 1.994 541 L HA -0.120 4.222 4.340 0.003 0.000 0.208 541 L C 2.798 179.603 176.870 -0.108 0.000 1.071 541 L CA 1.357 56.202 54.840 0.009 0.000 0.745 541 L CB -0.599 41.522 42.059 0.102 0.000 0.892 541 L HN 0.623 nan 8.230 nan 0.000 0.431 542 M N 0.002 119.450 119.600 -0.254 0.000 2.319 542 M HA -0.021 4.461 4.480 0.003 0.000 0.265 542 M C 1.356 177.428 176.300 -0.381 0.000 1.068 542 M CA 0.570 55.587 55.300 -0.471 0.000 1.118 542 M CB -1.101 31.206 32.600 -0.488 0.000 1.395 542 M HN 0.310 nan 8.290 nan 0.000 0.435 543 S N 0.079 115.630 115.700 -0.249 0.000 2.576 543 S HA 0.327 4.799 4.470 0.003 0.000 0.276 543 S C 0.046 174.484 174.600 -0.271 0.000 1.339 543 S CA -0.857 57.200 58.200 -0.237 0.000 1.039 543 S CB 1.027 64.139 63.200 -0.147 0.000 0.902 543 S HN 0.395 nan 8.310 nan 0.000 0.516 544 C N 1.841 120.854 119.300 -0.479 0.000 3.154 544 C HA 0.671 5.132 4.460 0.003 0.000 0.312 544 C C -0.370 174.287 174.990 -0.556 0.000 1.349 544 C CA -0.942 57.750 59.018 -0.543 0.000 1.518 544 C CB 0.833 28.122 27.740 -0.752 0.000 1.934 544 C HN 0.902 nan 8.230 nan 0.000 0.462 545 I N 1.714 122.118 120.570 -0.278 0.000 2.392 545 I HA 0.344 4.515 4.170 0.003 0.000 0.295 545 I C 0.741 176.960 176.117 0.170 0.000 0.985 545 I CA 0.468 61.729 61.300 -0.066 0.000 1.221 545 I CB 1.609 39.587 38.000 -0.038 0.000 1.366 545 I HN 0.787 nan 8.210 nan 0.000 0.467 546 S N 5.065 120.934 115.700 0.282 0.000 2.537 546 S HA 0.065 4.536 4.470 0.003 0.000 0.286 546 S C 0.845 175.484 174.600 0.064 0.000 1.299 546 S CA -0.421 57.895 58.200 0.193 0.000 1.067 546 S CB 1.102 64.338 63.200 0.060 0.000 0.864 546 S HN 0.569 nan 8.310 nan 0.000 0.494 547 V N 3.866 123.787 119.914 0.012 0.000 2.446 547 V HA 0.391 4.513 4.120 0.003 0.000 0.244 547 V C 1.223 177.287 176.094 -0.050 0.000 1.039 547 V CA 1.627 63.912 62.300 -0.026 0.000 1.045 547 V CB -0.829 30.961 31.823 -0.054 0.000 0.681 547 V HN 1.802 nan 8.190 nan 0.000 0.459 548 G N 0.914 109.675 108.800 -0.065 0.000 3.380 548 G HA2 -0.108 3.853 3.960 0.003 0.000 0.685 548 G HA3 -0.108 3.853 3.960 0.003 0.000 0.685 548 G C -0.322 174.531 174.900 -0.077 0.000 1.136 548 G CA -0.159 44.907 45.100 -0.056 0.000 1.011 548 G HN 0.600 nan 8.290 nan 0.000 0.471 549 T N 1.629 116.140 114.554 -0.071 0.000 2.862 549 T HA 0.560 4.911 4.350 0.003 0.000 0.276 549 T C 0.283 174.958 174.700 -0.041 0.000 0.974 549 T CA -0.526 61.533 62.100 -0.068 0.000 0.966 549 T CB 1.332 70.157 68.868 -0.071 0.000 1.072 549 T HN 0.560 nan 8.240 nan 0.000 0.538 550 D N 1.311 121.695 120.400 -0.027 0.000 2.390 550 D HA 0.192 4.833 4.640 0.003 0.000 0.249 550 D C -1.438 174.845 176.300 -0.029 0.000 1.144 550 D CA -1.946 52.045 54.000 -0.015 0.000 0.880 550 D CB 1.395 42.196 40.800 0.002 0.000 1.182 550 D HN 0.121 nan 8.370 nan 0.000 0.451 551 P HA 0.028 nan 4.420 nan 0.000 0.224 551 P C 1.796 179.063 177.300 -0.054 0.000 1.157 551 P CA 0.597 63.670 63.100 -0.045 0.000 0.799 551 P CB 0.214 31.893 31.700 -0.035 0.000 0.809 552 M N 0.355 119.933 119.600 -0.036 0.000 2.103 552 M HA -0.144 4.337 4.480 0.003 0.000 0.255 552 M C -0.502 175.782 176.300 -0.027 0.000 1.074 552 M CA 2.706 57.987 55.300 -0.031 0.000 1.090 552 M CB -2.372 30.221 32.600 -0.012 0.000 1.325 552 M HN 0.030 nan 8.290 nan 0.000 0.403 553 P HA -0.085 nan 4.420 nan 0.000 0.223 553 P C 1.448 178.747 177.300 -0.001 0.000 1.151 553 P CA 1.196 64.292 63.100 -0.006 0.000 0.787 553 P CB -0.285 31.401 31.700 -0.024 0.000 0.788 554 I N -0.333 120.211 120.570 -0.044 0.000 2.193 554 I HA -0.150 4.021 4.170 0.003 0.000 0.240 554 I C 2.482 178.590 176.117 -0.015 0.000 1.084 554 I CA 0.933 62.205 61.300 -0.047 0.000 1.365 554 I CB -1.281 36.663 38.000 -0.094 0.000 1.064 554 I HN -0.111 nan 8.210 nan 0.000 0.410 555 I N 1.075 121.581 120.570 -0.107 0.000 2.074 555 I HA -0.346 3.825 4.170 0.003 0.000 0.238 555 I C 2.622 178.706 176.117 -0.054 0.000 1.037 555 I CA 1.918 63.110 61.300 -0.179 0.000 1.301 555 I CB -1.906 35.938 38.000 -0.259 0.000 1.016 555 I HN 0.207 nan 8.210 nan 0.000 0.400 556 T N 0.103 114.655 114.554 -0.003 0.000 2.977 556 T HA -0.176 4.176 4.350 0.003 0.000 0.271 556 T C 1.604 176.358 174.700 0.090 0.000 1.105 556 T CA 0.756 62.877 62.100 0.035 0.000 1.116 556 T CB -0.310 68.580 68.868 0.037 0.000 0.878 556 T HN 0.290 nan 8.240 nan 0.000 0.509 557 F N 0.560 120.492 119.950 -0.029 0.000 2.179 557 F HA 0.206 4.735 4.527 0.003 0.000 0.292 557 F C 1.724 177.549 175.800 0.041 0.000 1.089 557 F CA 0.795 58.789 58.000 -0.009 0.000 1.295 557 F CB -0.182 38.755 39.000 -0.106 0.000 1.041 557 F HN 0.056 nan 8.300 nan 0.000 0.487 558 L N 0.229 121.503 121.223 0.084 0.000 1.994 558 L HA -0.246 4.095 4.340 0.003 0.000 0.208 558 L C 2.710 179.579 176.870 -0.001 0.000 1.071 558 L CA 1.760 56.613 54.840 0.022 0.000 0.745 558 L CB -1.169 40.906 42.059 0.026 0.000 0.892 558 L HN 0.269 nan 8.230 nan 0.000 0.431 559 S N -1.029 114.668 115.700 -0.005 0.000 2.469 559 S HA -0.171 4.300 4.470 0.003 0.000 0.238 559 S C 1.413 176.005 174.600 -0.013 0.000 0.998 559 S CA 1.006 59.206 58.200 -0.001 0.000 0.957 559 S CB -0.389 62.806 63.200 -0.007 0.000 0.764 559 S HN 0.490 nan 8.310 nan 0.000 0.514 560 E N -0.791 119.390 120.200 -0.031 0.000 2.465 560 E HA 0.137 4.489 4.350 0.003 0.000 0.195 560 E C -1.128 175.437 176.600 -0.059 0.000 1.028 560 E CA -0.221 56.153 56.400 -0.045 0.000 0.899 560 E CB 0.230 29.920 29.700 -0.017 0.000 1.032 560 E HN 0.650 nan 8.360 nan 0.000 0.468 561 W N 0.785 121.903 121.300 -0.303 0.000 1.713 561 W HA 0.302 4.964 4.660 0.003 0.000 0.303 561 W C 0.649 177.143 176.519 -0.041 0.000 0.915 561 W CA 0.070 57.258 57.345 -0.262 0.000 1.751 561 W CB 0.698 29.849 29.460 -0.515 0.000 1.955 561 W HN 0.194 nan 8.180 nan 0.000 0.405 562 G N 1.989 110.839 108.800 0.084 0.000 2.552 562 G HA2 -0.285 3.676 3.960 0.003 0.000 0.267 562 G HA3 -0.285 3.676 3.960 0.003 0.000 0.267 562 G C 0.346 175.331 174.900 0.141 0.000 1.174 562 G CA 0.272 45.450 45.100 0.129 0.000 0.955 562 G HN 1.127 nan 8.290 nan 0.000 0.546 563 M N 0.575 120.361 119.600 0.310 0.000 4.019 563 M HA -0.102 4.380 4.480 0.003 0.000 0.157 563 M C -0.311 176.024 176.300 0.058 0.000 1.528 563 M CA 1.717 57.147 55.300 0.217 0.000 1.089 563 M CB -1.067 31.627 32.600 0.156 0.000 1.344 563 M HN 0.653 nan 8.290 nan 0.000 0.223 564 E N 7.451 127.662 120.200 0.018 0.000 2.259 564 E HA 0.381 4.733 4.350 0.003 0.000 0.281 564 E C -2.113 174.445 176.600 -0.068 0.000 1.037 564 E CA -1.733 54.657 56.400 -0.017 0.000 0.854 564 E CB 0.534 30.238 29.700 0.007 0.000 1.051 564 E HN 0.468 nan 8.360 nan 0.000 0.409 565 P HA -0.094 nan 4.420 nan 0.000 0.270 565 P C 0.584 177.744 177.300 -0.233 0.000 1.223 565 P CA -0.226 62.798 63.100 -0.125 0.000 0.785 565 P CB 0.898 32.552 31.700 -0.077 0.000 0.923 566 L N 1.877 122.870 121.223 -0.383 0.000 2.046 566 L HA -0.219 4.122 4.340 0.003 0.000 0.208 566 L C 2.139 178.611 176.870 -0.663 0.000 1.077 566 L CA 2.134 56.560 54.840 -0.689 0.000 0.747 566 L CB -1.337 40.209 42.059 -0.855 0.000 0.896 566 L HN 0.254 nan 8.230 nan 0.000 0.432 567 E N -0.353 119.600 120.200 -0.412 0.000 2.049 567 E HA -0.216 4.135 4.350 0.003 0.000 0.198 567 E C 1.510 178.000 176.600 -0.182 0.000 1.007 567 E CA 1.720 57.949 56.400 -0.286 0.000 0.809 567 E CB -0.691 28.914 29.700 -0.157 0.000 0.749 567 E HN 0.471 nan 8.360 nan 0.000 0.450 568 D N -0.483 119.845 120.400 -0.120 0.000 2.323 568 D HA -0.038 4.603 4.640 0.003 0.000 0.239 568 D C -0.550 175.760 176.300 0.017 0.000 1.129 568 D CA 0.091 54.065 54.000 -0.044 0.000 0.865 568 D CB -0.333 40.445 40.800 -0.036 0.000 0.913 568 D HN 0.155 nan 8.370 nan 0.000 0.517 569 Y N 1.717 121.926 120.300 -0.152 0.000 2.313 569 Y HA 0.290 4.842 4.550 0.003 0.000 0.332 569 Y C -0.322 175.638 175.900 0.101 0.000 1.071 569 Y CA -1.258 56.804 58.100 -0.063 0.000 1.169 569 Y CB 0.925 39.292 38.460 -0.156 0.000 1.192 569 Y HN -0.229 nan 8.280 nan 0.000 0.487 570 V N 7.222 126.834 119.914 -0.505 0.000 2.349 570 V HA 0.401 4.523 4.120 0.003 0.000 0.284 570 V C -2.251 173.416 176.094 -0.712 0.000 1.014 570 V CA -1.927 60.096 62.300 -0.460 0.000 0.826 570 V CB 1.271 32.964 31.823 -0.217 0.000 1.009 570 V HN 0.690 nan 8.190 nan 0.000 0.431 571 P HA -0.197 nan 4.420 nan 0.000 0.215 571 P C 1.495 178.781 177.300 -0.023 0.000 1.153 571 P CA 2.064 65.003 63.100 -0.268 0.000 0.853 571 P CB -0.071 31.701 31.700 0.121 0.000 0.788 572 H N 0.920 119.970 119.070 -0.034 0.000 2.423 572 H HA -0.051 4.507 4.556 0.003 0.000 0.297 572 H C 1.391 176.731 175.328 0.021 0.000 1.075 572 H CA 1.177 57.233 56.048 0.014 0.000 1.342 572 H CB -0.563 29.200 29.762 0.001 0.000 1.395 572 H HN 0.296 nan 8.280 nan 0.000 0.530 573 Q N 1.402 120.871 119.800 -0.552 0.000 2.220 573 Q HA 0.165 4.507 4.340 0.003 0.000 0.205 573 Q C -0.237 175.682 176.000 -0.135 0.000 0.865 573 Q CA 0.099 55.702 55.803 -0.332 0.000 0.960 573 Q CB 0.588 29.059 28.738 -0.444 0.000 1.097 573 Q HN 0.367 nan 8.270 nan 0.000 0.493 574 S N -0.031 115.631 115.700 -0.063 0.000 2.486 574 S HA 0.298 4.770 4.470 0.003 0.000 0.144 574 S C -2.375 172.315 174.600 0.150 0.000 1.542 574 S CA -0.841 57.392 58.200 0.055 0.000 1.262 574 S CB 1.224 64.482 63.200 0.097 0.000 1.462 574 S HN 0.085 nan 8.310 nan 0.000 0.381 575 P HA 0.113 nan 4.420 nan 0.000 0.230 575 P C -0.200 177.184 177.300 0.140 0.000 1.168 575 P CA 0.567 63.765 63.100 0.163 0.000 0.793 575 P CB -0.030 31.751 31.700 0.135 0.000 0.851 576 D N 1.079 121.543 120.400 0.107 0.000 2.934 576 D HA 0.298 4.939 4.640 0.003 0.000 0.237 576 D C 0.066 176.421 176.300 0.093 0.000 1.158 576 D CA 0.343 54.395 54.000 0.087 0.000 0.971 576 D CB 0.011 40.849 40.800 0.064 0.000 1.123 576 D HN 0.149 nan 8.370 nan 0.000 0.467 577 A N 0.456 123.346 122.820 0.117 0.000 2.356 577 A HA 0.476 4.798 4.320 0.003 0.000 0.310 577 A C 0.157 177.798 177.584 0.095 0.000 1.075 577 A CA -0.649 51.457 52.037 0.115 0.000 0.746 577 A CB 1.363 20.472 19.000 0.182 0.000 1.221 577 A HN 0.018 nan 8.150 nan 0.000 0.443 578 T N 3.720 118.333 114.554 0.098 0.000 2.727 578 T HA 0.349 4.700 4.350 0.003 0.000 0.298 578 T C 0.548 175.295 174.700 0.079 0.000 0.942 578 T CA -0.320 61.837 62.100 0.096 0.000 0.997 578 T CB -0.015 68.928 68.868 0.124 0.000 0.917 578 T HN 0.738 nan 8.240 nan 0.000 0.487 579 R N 1.798 122.322 120.500 0.040 0.000 2.694 579 R HA 0.531 4.873 4.340 0.003 0.000 0.268 579 R C -0.851 175.414 176.300 -0.059 0.000 1.061 579 R CA -0.710 55.410 56.100 0.033 0.000 1.133 579 R CB 0.278 30.481 30.300 -0.162 0.000 1.020 579 R HN 0.266 nan 8.270 nan 0.000 0.475 580 V N 3.027 122.911 119.914 -0.051 0.000 2.487 580 V HA 0.391 4.513 4.120 0.003 0.000 0.298 580 V C -0.927 175.066 176.094 -0.169 0.000 1.028 580 V CA -0.609 61.661 62.300 -0.051 0.000 0.860 580 V CB 1.090 32.932 31.823 0.033 0.000 0.991 580 V HN 0.544 nan 8.190 nan 0.000 0.427 581 F N 3.446 123.430 119.950 0.056 0.000 2.469 581 F HA 0.709 5.237 4.527 0.003 0.000 0.332 581 F C 0.001 175.769 175.800 -0.053 0.000 1.103 581 F CA -0.867 57.137 58.000 0.006 0.000 0.979 581 F CB 2.148 41.079 39.000 -0.115 0.000 1.137 581 F HN 0.143 nan 8.300 nan 0.000 0.463 582 V N 3.538 123.550 119.914 0.163 0.000 2.419 582 V HA 0.262 4.383 4.120 0.003 0.000 0.287 582 V C -0.660 175.371 176.094 -0.105 0.000 1.017 582 V CA -1.128 61.168 62.300 -0.006 0.000 0.844 582 V CB 1.202 33.032 31.823 0.012 0.000 1.011 582 V HN 0.846 nan 8.190 nan 0.000 0.429 583 N N 3.746 122.199 118.700 -0.412 0.000 2.725 583 N HA -0.198 4.543 4.740 0.003 0.000 0.249 583 N C 1.054 176.368 175.510 -0.326 0.000 1.103 583 N CA 1.755 54.534 53.050 -0.451 0.000 0.707 583 N CB -1.150 37.241 38.487 -0.160 0.000 1.043 583 N HN 1.564 nan 8.380 nan 0.000 0.553 584 G N -2.550 106.047 108.800 -0.339 0.000 2.198 584 G HA2 -0.240 3.721 3.960 0.003 0.000 0.257 584 G HA3 -0.240 3.721 3.960 0.003 0.000 0.257 584 G C -0.198 174.758 174.900 0.093 0.000 1.042 584 G CA 0.250 45.306 45.100 -0.072 0.000 0.791 584 G HN 0.559 nan 8.290 nan 0.000 0.502 585 V N 0.305 120.286 119.914 0.111 0.000 2.448 585 V HA 0.586 4.707 4.120 0.003 0.000 0.295 585 V C 0.023 176.140 176.094 0.039 0.000 1.025 585 V CA -1.096 61.197 62.300 -0.011 0.000 0.859 585 V CB 1.628 33.370 31.823 -0.135 0.000 0.988 585 V HN 0.357 nan 8.190 nan 0.000 0.431 586 W N 5.305 126.464 121.300 -0.235 0.000 2.437 586 W HA 0.383 5.044 4.660 0.003 0.000 0.312 586 W C 0.841 177.120 176.519 -0.400 0.000 1.242 586 W CA -0.578 56.561 57.345 -0.344 0.000 1.340 586 W CB 0.107 29.474 29.460 -0.156 0.000 1.327 586 W HN 0.662 nan 8.180 nan 0.000 0.476 587 H N 4.087 123.112 119.070 -0.075 0.000 2.549 587 H HA 0.279 4.837 4.556 0.002 0.000 0.279 587 H C 1.214 176.343 175.328 -0.331 0.000 1.018 587 H CA 0.934 56.869 56.048 -0.190 0.000 1.175 587 H CB 0.350 30.054 29.762 -0.096 0.000 1.485 587 H HN 0.629 nan 8.280 nan 0.000 0.543 588 G N 0.378 108.849 108.800 -0.549 0.000 2.342 588 G HA2 -0.159 3.802 3.960 0.003 0.000 0.220 588 G HA3 -0.159 3.802 3.960 0.003 0.000 0.220 588 G C -1.333 173.369 174.900 -0.330 0.000 1.243 588 G CA -0.374 44.321 45.100 -0.674 0.000 1.083 588 G HN 0.109 nan 8.290 nan 0.000 0.500 589 V N 0.395 120.120 119.914 -0.315 0.000 2.769 589 V HA 0.762 4.883 4.120 0.003 0.000 0.312 589 V C -0.302 175.794 176.094 0.002 0.000 1.061 589 V CA -0.458 61.728 62.300 -0.190 0.000 0.931 589 V CB 1.872 33.406 31.823 -0.481 0.000 1.010 589 V HN 1.124 nan 8.190 nan 0.000 0.433 590 H N 2.925 121.980 119.070 -0.026 0.000 2.600 590 H HA 0.686 5.244 4.556 0.003 0.000 0.357 590 H C -0.450 174.901 175.328 0.039 0.000 1.106 590 H CA -0.620 55.438 56.048 0.016 0.000 1.193 590 H CB 1.324 31.106 29.762 0.033 0.000 1.594 590 H HN 0.578 nan 8.280 nan 0.000 0.526 591 R N 3.111 123.352 120.500 -0.431 0.000 2.407 591 R HA 0.256 4.597 4.340 0.003 0.000 0.303 591 R C -0.556 175.583 176.300 -0.267 0.000 0.981 591 R CA -0.954 55.016 56.100 -0.218 0.000 0.905 591 R CB 0.790 31.004 30.300 -0.143 0.000 1.099 591 R HN 0.864 nan 8.270 nan 0.000 0.459 592 N N 2.338 121.024 118.700 -0.024 0.000 2.501 592 N HA -0.099 4.642 4.740 0.003 0.000 0.291 592 N C -2.206 173.473 175.510 0.282 0.000 1.304 592 N CA 0.090 53.187 53.050 0.078 0.000 0.686 592 N CB 0.110 38.625 38.487 0.046 0.000 0.924 592 N HN 0.442 nan 8.380 nan 0.000 0.533 593 P HA 0.180 nan 4.420 nan 0.000 0.261 593 P C 0.984 178.376 177.300 0.154 0.000 1.268 593 P CA 0.731 64.002 63.100 0.286 0.000 0.833 593 P CB 0.173 31.999 31.700 0.210 0.000 1.231 594 A N 1.501 124.406 122.820 0.141 0.000 1.865 594 A HA -0.167 4.154 4.320 0.003 0.000 0.217 594 A C 2.327 179.974 177.584 0.104 0.000 1.191 594 A CA 1.497 53.596 52.037 0.102 0.000 0.623 594 A CB -1.059 17.995 19.000 0.090 0.000 0.826 594 A HN 0.082 nan 8.150 nan 0.000 0.444 595 R N -1.293 119.290 120.500 0.138 0.000 2.200 595 R HA 0.110 4.452 4.340 0.003 0.000 0.208 595 R C 1.948 178.352 176.300 0.173 0.000 1.033 595 R CA 0.744 56.937 56.100 0.154 0.000 1.000 595 R CB -0.281 30.123 30.300 0.173 0.000 0.906 595 R HN 0.500 nan 8.270 nan 0.000 0.462 596 L N 0.025 121.346 121.223 0.163 0.000 2.109 596 L HA -0.054 4.288 4.340 0.003 0.000 0.207 596 L C 1.994 178.869 176.870 0.008 0.000 1.086 596 L CA 1.564 56.445 54.840 0.070 0.000 0.760 596 L CB -0.191 41.773 42.059 -0.157 0.000 0.910 596 L HN 0.084 nan 8.230 nan 0.000 0.437 597 M N -0.076 119.538 119.600 0.024 0.000 2.066 597 M HA -0.176 4.306 4.480 0.003 0.000 0.259 597 M C 2.157 178.455 176.300 -0.003 0.000 1.074 597 M CA 1.800 57.104 55.300 0.007 0.000 1.114 597 M CB -0.674 31.943 32.600 0.028 0.000 1.306 597 M HN 0.283 nan 8.290 nan 0.000 0.411 598 E N -1.330 118.884 120.200 0.023 0.000 2.331 598 E HA -0.169 4.183 4.350 0.003 0.000 0.199 598 E C 1.651 178.247 176.600 -0.007 0.000 1.008 598 E CA 1.488 57.898 56.400 0.017 0.000 0.843 598 E CB -0.089 29.635 29.700 0.040 0.000 0.761 598 E HN 0.568 nan 8.360 nan 0.000 0.507 599 T N 0.912 115.453 114.554 -0.021 0.000 2.851 599 T HA -0.027 4.325 4.350 0.003 0.000 0.262 599 T C 1.943 176.531 174.700 -0.186 0.000 1.043 599 T CA 0.404 62.444 62.100 -0.100 0.000 1.140 599 T CB 0.013 68.779 68.868 -0.169 0.000 0.872 599 T HN 0.079 nan 8.240 nan 0.000 0.446 600 L N 0.479 121.602 121.223 -0.168 0.000 1.994 600 L HA -0.047 4.294 4.340 0.003 0.000 0.208 600 L C 2.890 179.663 176.870 -0.161 0.000 1.071 600 L CA 1.424 56.138 54.840 -0.210 0.000 0.745 600 L CB -0.370 41.600 42.059 -0.149 0.000 0.892 600 L HN 0.108 nan 8.230 nan 0.000 0.431 601 R N -0.827 119.615 120.500 -0.096 0.000 2.105 601 R HA -0.143 4.199 4.340 0.003 0.000 0.239 601 R C 2.209 178.462 176.300 -0.077 0.000 1.135 601 R CA 1.913 57.972 56.100 -0.069 0.000 0.967 601 R CB -0.541 29.741 30.300 -0.030 0.000 0.861 601 R HN 0.423 nan 8.270 nan 0.000 0.442 602 T N 1.297 115.803 114.554 -0.080 0.000 2.770 602 T HA -0.049 4.303 4.350 0.003 0.000 0.263 602 T C 1.892 176.531 174.700 -0.102 0.000 1.039 602 T CA 0.819 62.876 62.100 -0.071 0.000 1.142 602 T CB -0.154 68.685 68.868 -0.048 0.000 0.868 602 T HN 0.125 nan 8.240 nan 0.000 0.435 603 L N 0.528 121.658 121.223 -0.155 0.000 2.079 603 L HA -0.122 4.219 4.340 0.003 0.000 0.210 603 L C 2.983 179.754 176.870 -0.165 0.000 1.081 603 L CA 1.301 56.025 54.840 -0.192 0.000 0.752 603 L CB -0.508 41.352 42.059 -0.331 0.000 0.896 603 L HN 0.198 nan 8.230 nan 0.000 0.433 604 R N 0.633 121.041 120.500 -0.153 0.000 2.061 604 R HA -0.142 4.200 4.340 0.003 0.000 0.230 604 R C 2.424 178.665 176.300 -0.098 0.000 1.140 604 R CA 1.464 57.489 56.100 -0.123 0.000 0.940 604 R CB -0.107 30.129 30.300 -0.107 0.000 0.839 604 R HN 0.266 nan 8.270 nan 0.000 0.429 605 R N 0.224 120.670 120.500 -0.090 0.000 2.193 605 R HA -0.113 4.229 4.340 0.003 0.000 0.229 605 R C 2.268 178.518 176.300 -0.083 0.000 1.110 605 R CA 1.208 57.256 56.100 -0.087 0.000 0.988 605 R CB -0.088 30.168 30.300 -0.074 0.000 0.871 605 R HN 0.212 nan 8.270 nan 0.000 0.458 606 K N -0.853 119.500 120.400 -0.078 0.000 2.137 606 K HA -0.042 4.280 4.320 0.003 0.000 0.202 606 K C 1.057 177.617 176.600 -0.066 0.000 1.052 606 K CA 1.277 57.525 56.287 -0.065 0.000 0.961 606 K CB 0.424 32.889 32.500 -0.058 0.000 0.741 606 K HN 0.308 nan 8.250 nan 0.000 0.452 607 G N 0.183 108.937 108.800 -0.076 0.000 2.421 607 G HA2 -0.164 3.798 3.960 0.003 0.000 0.188 607 G HA3 -0.164 3.798 3.960 0.003 0.000 0.188 607 G C 0.393 175.247 174.900 -0.077 0.000 1.001 607 G CA 0.229 45.288 45.100 -0.068 0.000 0.693 607 G HN 0.248 nan 8.290 nan 0.000 0.479 608 D N 0.487 120.830 120.400 -0.095 0.000 2.218 608 D HA 0.035 4.677 4.640 0.003 0.000 0.204 608 D C 1.075 177.290 176.300 -0.142 0.000 0.976 608 D CA 0.871 54.805 54.000 -0.110 0.000 0.853 608 D CB 0.329 41.054 40.800 -0.125 0.000 0.939 608 D HN 0.352 nan 8.370 nan 0.000 0.481 609 I N 1.592 122.065 120.570 -0.162 0.000 2.362 609 I HA 0.089 4.261 4.170 0.003 0.000 0.289 609 I C 0.477 176.520 176.117 -0.123 0.000 0.994 609 I CA -1.132 60.068 61.300 -0.168 0.000 1.158 609 I CB 0.787 38.655 38.000 -0.220 0.000 1.315 609 I HN -0.189 nan 8.210 nan 0.000 0.451 610 N N 9.055 127.690 118.700 -0.108 0.000 2.223 610 N HA -0.066 4.676 4.740 0.003 0.000 0.271 610 N C -1.757 173.693 175.510 -0.101 0.000 1.315 610 N CA -0.569 52.424 53.050 -0.096 0.000 0.835 610 N CB 0.848 39.275 38.487 -0.101 0.000 1.066 610 N HN 0.305 nan 8.380 nan 0.000 0.486 611 P HA -0.061 nan 4.420 nan 0.000 0.231 611 P C 0.582 177.825 177.300 -0.094 0.000 1.158 611 P CA 0.915 64.000 63.100 -0.024 0.000 0.763 611 P CB 0.295 32.048 31.700 0.089 0.000 0.805 612 E N -0.498 119.548 120.200 -0.256 0.000 2.072 612 E HA -0.039 4.312 4.350 0.003 0.000 0.190 612 E C 0.368 176.780 176.600 -0.313 0.000 0.982 612 E CA 0.535 56.645 56.400 -0.483 0.000 0.803 612 E CB -0.233 29.211 29.700 -0.427 0.000 0.755 612 E HN 0.041 nan 8.360 nan 0.000 0.453 613 V N 3.305 123.112 119.914 -0.178 0.000 2.509 613 V HA -0.064 4.057 4.120 0.003 0.000 0.297 613 V C 0.461 176.516 176.094 -0.064 0.000 1.014 613 V CA 0.118 62.358 62.300 -0.100 0.000 1.127 613 V CB 0.389 32.159 31.823 -0.088 0.000 0.925 613 V HN 0.162 nan 8.190 nan 0.000 0.480 614 S N 6.209 121.903 115.700 -0.010 0.000 2.508 614 S HA 0.755 5.226 4.470 0.003 0.000 0.284 614 S C -0.573 174.069 174.600 0.069 0.000 1.192 614 S CA -0.864 57.351 58.200 0.026 0.000 1.070 614 S CB 1.208 64.432 63.200 0.040 0.000 1.004 614 S HN 0.605 nan 8.310 nan 0.000 0.493 615 M N 3.340 122.970 119.600 0.050 0.000 1.987 615 M HA 0.355 4.837 4.480 0.003 0.000 0.298 615 M C -1.529 174.810 176.300 0.066 0.000 0.892 615 M CA -0.328 55.001 55.300 0.049 0.000 0.885 615 M CB 0.873 33.473 32.600 0.001 0.000 1.469 615 M HN 0.572 nan 8.290 nan 0.000 0.389 616 I N 2.656 123.287 120.570 0.102 0.000 2.256 616 I HA 0.220 4.392 4.170 0.003 0.000 0.294 616 I C 0.412 176.581 176.117 0.087 0.000 1.127 616 I CA -0.183 61.176 61.300 0.099 0.000 1.247 616 I CB 0.105 38.181 38.000 0.127 0.000 1.460 616 I HN 0.448 nan 8.210 nan 0.000 0.511 617 R N 4.593 125.134 120.500 0.068 0.000 2.210 617 R HA 0.221 4.562 4.340 0.003 0.000 0.338 617 R C -0.576 175.759 176.300 0.059 0.000 1.062 617 R CA -0.127 56.012 56.100 0.064 0.000 0.902 617 R CB 0.269 30.601 30.300 0.053 0.000 1.050 617 R HN 0.387 nan 8.270 nan 0.000 0.461 618 D N 5.390 125.828 120.400 0.063 0.000 2.280 618 D HA 0.098 4.740 4.640 0.003 0.000 0.243 618 D C 1.036 177.365 176.300 0.048 0.000 1.129 618 D CA -0.266 53.764 54.000 0.049 0.000 0.848 618 D CB 0.899 41.726 40.800 0.045 0.000 1.107 618 D HN 0.475 nan 8.370 nan 0.000 0.471 619 I N 3.572 124.165 120.570 0.038 0.000 2.188 619 I HA -0.159 4.012 4.170 0.003 0.000 0.237 619 I C 1.661 177.799 176.117 0.034 0.000 1.073 619 I CA 0.828 62.150 61.300 0.037 0.000 1.359 619 I CB -0.378 37.639 38.000 0.028 0.000 1.083 619 I HN 0.404 nan 8.210 nan 0.000 0.412 620 R N 1.525 122.039 120.500 0.024 0.000 4.031 620 R HA 0.178 4.519 4.340 0.003 0.000 0.269 620 R C 0.269 176.580 176.300 0.018 0.000 1.668 620 R CA 0.265 56.377 56.100 0.020 0.000 1.432 620 R CB 0.118 30.425 30.300 0.011 0.000 1.374 620 R HN 0.254 nan 8.270 nan 0.000 0.681 621 E N 1.299 121.516 120.200 0.028 0.000 2.581 621 E HA 0.057 4.408 4.350 0.003 0.000 0.195 621 E C -0.718 175.908 176.600 0.043 0.000 0.936 621 E CA -0.102 56.315 56.400 0.027 0.000 1.387 621 E CB 0.376 30.087 29.700 0.020 0.000 1.424 621 E HN 0.328 nan 8.360 nan 0.000 0.742 622 K N 1.230 121.661 120.400 0.052 0.000 3.150 622 K HA -0.216 4.105 4.320 0.003 0.000 0.267 622 K C -0.837 175.808 176.600 0.076 0.000 1.028 622 K CA 1.171 57.496 56.287 0.063 0.000 0.753 622 K CB -1.429 31.107 32.500 0.059 0.000 1.288 622 K HN 0.275 nan 8.250 nan 0.000 0.473 623 E N 0.169 120.425 120.200 0.094 0.000 2.312 623 E HA 0.629 4.981 4.350 0.003 0.000 0.267 623 E C -1.191 175.492 176.600 0.140 0.000 0.894 623 E CA -1.239 55.249 56.400 0.147 0.000 0.773 623 E CB 2.012 31.825 29.700 0.188 0.000 1.241 623 E HN 0.157 nan 8.360 nan 0.000 0.432 624 L N 1.371 122.699 121.223 0.175 0.000 2.482 624 L HA 0.446 4.788 4.340 0.003 0.000 0.269 624 L C -1.758 175.230 176.870 0.196 0.000 0.967 624 L CA -0.275 54.650 54.840 0.142 0.000 0.851 624 L CB 1.175 43.286 42.059 0.086 0.000 1.242 624 L HN 0.358 nan 8.230 nan 0.000 0.404 625 K N 5.781 126.287 120.400 0.176 0.000 2.292 625 K HA 0.693 5.014 4.320 0.003 0.000 0.257 625 K C -1.350 175.317 176.600 0.112 0.000 0.940 625 K CA -0.585 55.804 56.287 0.170 0.000 0.811 625 K CB 2.280 34.886 32.500 0.176 0.000 1.120 625 K HN 0.465 nan 8.250 nan 0.000 0.428 626 I N 3.237 123.814 120.570 0.012 0.000 2.410 626 I HA 0.313 4.485 4.170 0.003 0.000 0.286 626 I C -0.992 175.062 176.117 -0.105 0.000 1.009 626 I CA -0.259 61.041 61.300 0.000 0.000 1.111 626 I CB 0.765 38.751 38.000 -0.024 0.000 1.262 626 I HN 0.437 nan 8.210 nan 0.000 0.443 627 F N 3.894 123.840 119.950 -0.007 0.000 2.436 627 F HA 0.515 5.044 4.527 0.003 0.000 0.340 627 F C 0.583 176.357 175.800 -0.042 0.000 1.113 627 F CA -0.213 57.777 58.000 -0.018 0.000 1.022 627 F CB 2.014 41.000 39.000 -0.024 0.000 1.128 627 F HN 0.318 nan 8.300 nan 0.000 0.466 628 T N 1.282 115.912 114.554 0.128 0.000 3.697 628 T HA 0.162 4.513 4.350 0.003 0.000 0.260 628 T C -0.783 173.953 174.700 0.061 0.000 0.998 628 T CA -0.562 61.568 62.100 0.050 0.000 1.128 628 T CB -0.405 68.455 68.868 -0.013 0.000 1.082 628 T HN 0.294 nan 8.240 nan 0.000 0.541 629 D N 2.053 122.531 120.400 0.131 0.000 2.383 629 D HA 0.590 5.231 4.640 0.003 0.000 0.248 629 D C 0.207 176.527 176.300 0.033 0.000 1.170 629 D CA -0.454 53.604 54.000 0.097 0.000 0.977 629 D CB 0.853 41.739 40.800 0.142 0.000 1.120 629 D HN 0.340 nan 8.370 nan 0.000 0.481 630 A N 0.389 123.220 122.820 0.019 0.000 2.969 630 A HA 0.591 4.913 4.320 0.003 0.000 0.328 630 A C 0.703 178.287 177.584 -0.000 0.000 1.355 630 A CA 0.142 52.183 52.037 0.006 0.000 1.018 630 A CB -0.357 18.645 19.000 0.004 0.000 1.159 630 A HN 0.573 nan 8.150 nan 0.000 0.505 631 G N 0.745 109.541 108.800 -0.007 0.000 4.386 631 G HA2 0.018 3.980 3.960 0.003 0.000 0.219 631 G HA3 0.018 3.980 3.960 0.003 0.000 0.219 631 G C 0.268 175.131 174.900 -0.061 0.000 0.758 631 G CA -0.761 44.319 45.100 -0.033 0.000 0.861 631 G HN 0.573 nan 8.290 nan 0.000 0.642 632 R N 0.664 121.138 120.500 -0.043 0.000 2.623 632 R HA 0.441 4.782 4.340 0.003 0.000 0.271 632 R C -0.162 176.155 176.300 0.029 0.000 1.043 632 R CA -0.045 56.019 56.100 -0.060 0.000 1.083 632 R CB 1.308 31.578 30.300 -0.050 0.000 0.974 632 R HN 0.019 nan 8.270 nan 0.000 0.436 633 V N 4.176 124.086 119.914 -0.007 0.000 2.439 633 V HA 0.311 4.432 4.120 0.003 0.000 0.282 633 V C -0.492 175.695 176.094 0.155 0.000 1.039 633 V CA -0.535 61.798 62.300 0.054 0.000 0.913 633 V CB 0.405 32.290 31.823 0.103 0.000 0.983 633 V HN 0.705 nan 8.190 nan 0.000 0.460 634 Y N 3.607 123.916 120.300 0.014 0.000 2.634 634 Y HA 0.945 5.497 4.550 0.003 0.000 0.340 634 Y C -0.300 175.634 175.900 0.058 0.000 1.058 634 Y CA -1.616 56.509 58.100 0.041 0.000 1.081 634 Y CB 1.581 40.058 38.460 0.029 0.000 1.295 634 Y HN 0.687 nan 8.280 nan 0.000 0.487 635 R N -0.094 120.536 120.500 0.216 0.000 2.846 635 R HA 0.654 4.996 4.340 0.003 0.000 0.263 635 R C -2.970 173.381 176.300 0.086 0.000 1.080 635 R CA -1.943 54.181 56.100 0.041 0.000 0.961 635 R CB 1.660 31.923 30.300 -0.062 0.000 1.231 635 R HN 0.421 nan 8.270 nan 0.000 0.465 636 P HA 0.170 nan 4.420 nan 0.000 0.195 636 P C -0.464 176.655 177.300 -0.300 0.000 1.172 636 P CA 0.204 63.135 63.100 -0.283 0.000 0.850 636 P CB -0.237 31.274 31.700 -0.314 0.000 0.699 637 L N -4.961 116.070 121.223 -0.319 0.000 0.762 637 L HA -0.126 4.216 4.340 0.003 0.000 0.363 637 L C -0.618 176.088 176.870 -0.274 0.000 1.004 637 L CA -0.308 54.380 54.840 -0.254 0.000 1.223 637 L CB -3.122 38.916 42.059 -0.035 0.000 0.295 637 L HN -0.095 nan 8.230 nan 0.000 0.182 638 F N 2.640 122.552 119.950 -0.063 0.000 2.485 638 F HA 0.600 5.129 4.527 0.003 0.000 0.327 638 F C 1.432 177.224 175.800 -0.012 0.000 1.203 638 F CA 0.138 58.099 58.000 -0.064 0.000 1.295 638 F CB 0.295 39.277 39.000 -0.031 0.000 1.191 638 F HN 0.449 nan 8.300 nan 0.000 0.588 639 I N 1.493 122.177 120.570 0.191 0.000 2.412 639 I HA 0.367 4.538 4.170 0.003 0.000 0.296 639 I C -0.990 175.212 176.117 0.142 0.000 0.987 639 I CA -0.851 60.535 61.300 0.143 0.000 1.180 639 I CB 1.699 39.730 38.000 0.051 0.000 1.340 639 I HN 0.104 nan 8.210 nan 0.000 0.455 640 V N 5.133 125.138 119.914 0.151 0.000 2.320 640 V HA 0.309 4.430 4.120 0.003 0.000 0.268 640 V C -0.209 175.951 176.094 0.110 0.000 1.021 640 V CA -0.542 61.831 62.300 0.120 0.000 0.813 640 V CB 0.924 32.828 31.823 0.135 0.000 1.054 640 V HN 0.735 nan 8.190 nan 0.000 0.444 641 E N 2.222 122.472 120.200 0.082 0.000 2.222 641 E HA 0.322 4.673 4.350 0.003 0.000 0.272 641 E C 0.255 176.893 176.600 0.063 0.000 0.982 641 E CA -0.608 55.834 56.400 0.070 0.000 0.842 641 E CB 1.516 31.248 29.700 0.053 0.000 1.144 641 E HN 0.708 nan 8.360 nan 0.000 0.397 642 D N 1.698 122.134 120.400 0.060 0.000 2.378 642 D HA -0.119 4.522 4.640 0.003 0.000 0.227 642 D C -0.396 175.920 176.300 0.027 0.000 1.012 642 D CA 0.158 54.190 54.000 0.054 0.000 0.905 642 D CB -0.087 40.748 40.800 0.058 0.000 0.895 642 D HN 0.274 nan 8.370 nan 0.000 0.532 643 D N 1.870 122.285 120.400 0.025 0.000 2.750 643 D HA -0.011 4.630 4.640 0.003 0.000 0.225 643 D C -0.149 176.151 176.300 -0.001 0.000 1.067 643 D CA 0.711 54.720 54.000 0.015 0.000 1.223 643 D CB -0.165 40.647 40.800 0.021 0.000 1.143 643 D HN 0.303 nan 8.370 nan 0.000 0.460 644 E N -0.000 120.189 120.200 -0.019 0.000 2.244 644 E HA 0.084 4.436 4.350 0.003 0.000 0.260 644 E C 0.563 177.136 176.600 -0.046 0.000 0.884 644 E CA -0.381 55.991 56.400 -0.047 0.000 0.777 644 E CB 2.177 31.817 29.700 -0.101 0.000 1.197 644 E HN -0.069 nan 8.360 nan 0.000 0.416 645 S N 2.629 118.309 115.700 -0.033 0.000 2.353 645 S HA -0.030 4.441 4.470 0.003 0.000 0.222 645 S C 0.966 175.546 174.600 -0.035 0.000 1.035 645 S CA 1.052 59.238 58.200 -0.024 0.000 1.025 645 S CB 0.155 63.346 63.200 -0.016 0.000 0.902 645 S HN 0.448 nan 8.310 nan 0.000 0.440 646 L N 1.215 122.407 121.223 -0.051 0.000 2.506 646 L HA 0.541 4.882 4.340 0.003 0.000 0.247 646 L C 0.076 176.876 176.870 -0.116 0.000 1.141 646 L CA -0.148 54.657 54.840 -0.058 0.000 0.973 646 L CB 0.963 43.000 42.059 -0.038 0.000 1.319 646 L HN 0.413 nan 8.230 nan 0.000 0.455 647 G N 1.891 110.588 108.800 -0.172 0.000 2.409 647 G HA2 0.063 4.025 3.960 0.003 0.000 0.231 647 G HA3 0.063 4.025 3.960 0.003 0.000 0.231 647 G C 0.075 174.506 174.900 -0.782 0.000 3.185 647 G CA -0.320 44.523 45.100 -0.427 0.000 0.941 647 G HN 0.747 nan 8.290 nan 0.000 0.556 648 H N -1.273 117.802 119.070 0.009 0.000 1.452 648 H HA -0.250 4.307 4.556 0.003 0.000 0.090 648 H C -0.103 175.239 175.328 0.023 0.000 2.623 648 H CA 1.002 57.058 56.048 0.014 0.000 1.901 648 H CB -0.557 29.210 29.762 0.010 0.000 2.257 648 H HN 0.675 nan 8.280 nan 0.000 0.961 649 K N 1.759 122.359 120.400 0.334 0.000 2.316 649 K HA 0.351 4.673 4.320 0.003 0.000 0.267 649 K C -0.573 176.187 176.600 0.267 0.000 1.025 649 K CA -0.185 56.231 56.287 0.216 0.000 0.896 649 K CB 1.151 33.757 32.500 0.177 0.000 1.124 649 K HN 0.436 nan 8.250 nan 0.000 0.451 650 E N 3.227 123.513 120.200 0.144 0.000 2.359 650 E HA 0.361 4.712 4.350 0.003 0.000 0.266 650 E C -1.181 175.454 176.600 0.058 0.000 0.920 650 E CA -0.786 55.678 56.400 0.106 0.000 0.788 650 E CB 1.004 30.720 29.700 0.027 0.000 1.279 650 E HN 0.426 nan 8.360 nan 0.000 0.438 651 L N 2.898 124.134 121.223 0.023 0.000 2.453 651 L HA 0.179 4.521 4.340 0.003 0.000 0.272 651 L C 1.617 178.500 176.870 0.022 0.000 1.182 651 L CA 0.205 55.046 54.840 0.002 0.000 0.858 651 L CB 0.370 42.376 42.059 -0.089 0.000 1.120 651 L HN 0.631 nan 8.230 nan 0.000 0.474 652 K N 1.688 122.115 120.400 0.045 0.000 2.026 652 K HA -0.038 4.284 4.320 0.003 0.000 0.208 652 K C 0.307 176.947 176.600 0.066 0.000 1.048 652 K CA 0.758 57.075 56.287 0.050 0.000 0.929 652 K CB 0.125 32.648 32.500 0.038 0.000 0.713 652 K HN 0.385 nan 8.250 nan 0.000 0.439 653 V N 3.290 123.237 119.914 0.056 0.000 2.655 653 V HA -0.016 4.105 4.120 0.003 0.000 0.300 653 V C 0.431 176.609 176.094 0.140 0.000 1.044 653 V CA 0.283 62.639 62.300 0.093 0.000 1.095 653 V CB 0.705 32.594 31.823 0.111 0.000 0.952 653 V HN 0.317 nan 8.190 nan 0.000 0.485 654 R N 3.272 123.979 120.500 0.345 0.000 2.869 654 R HA 0.451 4.793 4.340 0.003 0.000 0.263 654 R C 0.734 177.087 176.300 0.089 0.000 1.066 654 R CA -1.068 55.109 56.100 0.128 0.000 0.960 654 R CB 0.922 31.255 30.300 0.054 0.000 1.221 654 R HN 0.449 nan 8.270 nan 0.000 0.474 655 K N 0.703 121.108 120.400 0.008 0.000 2.063 655 K HA -0.130 4.191 4.320 0.003 0.000 0.208 655 K C 1.924 178.504 176.600 -0.033 0.000 1.048 655 K CA 2.028 58.316 56.287 0.003 0.000 0.928 655 K CB -0.752 31.743 32.500 -0.009 0.000 0.713 655 K HN 0.773 nan 8.250 nan 0.000 0.442 656 G N 0.998 109.724 108.800 -0.125 0.000 2.606 656 G HA2 -0.317 3.645 3.960 0.003 0.000 0.221 656 G HA3 -0.317 3.645 3.960 0.003 0.000 0.221 656 G C 1.186 175.929 174.900 -0.261 0.000 1.152 656 G CA 1.461 46.423 45.100 -0.229 0.000 0.765 656 G HN 0.422 nan 8.290 nan 0.000 0.595 657 H N 0.290 119.329 119.070 -0.051 0.000 2.357 657 H HA 0.038 4.595 4.556 0.003 0.000 0.301 657 H C 2.788 178.132 175.328 0.027 0.000 1.082 657 H CA 1.152 57.164 56.048 -0.060 0.000 1.342 657 H CB -0.205 29.604 29.762 0.078 0.000 1.389 657 H HN 0.395 nan 8.280 nan 0.000 0.511 658 I N 1.092 121.770 120.570 0.181 0.000 2.142 658 I HA -0.232 3.939 4.170 0.003 0.000 0.240 658 I C 2.923 179.113 176.117 0.122 0.000 1.078 658 I CA 1.119 62.524 61.300 0.175 0.000 1.343 658 I CB -0.445 37.641 38.000 0.144 0.000 1.046 658 I HN 0.130 nan 8.210 nan 0.000 0.405 659 A N 0.522 123.377 122.820 0.057 0.000 1.948 659 A HA -0.307 4.015 4.320 0.003 0.000 0.220 659 A C 2.365 179.971 177.584 0.037 0.000 1.177 659 A CA 2.241 54.298 52.037 0.033 0.000 0.636 659 A CB -0.632 18.365 19.000 -0.006 0.000 0.815 659 A HN 0.392 nan 8.150 nan 0.000 0.449 660 K N -0.799 119.595 120.400 -0.010 0.000 2.217 660 K HA 0.106 4.428 4.320 0.003 0.000 0.202 660 K C 1.716 178.381 176.600 0.108 0.000 1.051 660 K CA 0.687 56.950 56.287 -0.040 0.000 0.952 660 K CB -0.198 32.121 32.500 -0.302 0.000 0.736 660 K HN 0.487 nan 8.250 nan 0.000 0.453 661 L N 0.098 121.439 121.223 0.197 0.000 2.179 661 L HA -0.020 4.322 4.340 0.003 0.000 0.208 661 L C 2.112 179.125 176.870 0.239 0.000 1.096 661 L CA 0.820 55.845 54.840 0.308 0.000 0.779 661 L CB -0.023 42.243 42.059 0.345 0.000 0.922 661 L HN 0.227 nan 8.230 nan 0.000 0.443 662 M N -1.276 118.438 119.600 0.190 0.000 2.595 662 M HA 0.024 4.505 4.480 0.003 0.000 0.248 662 M C 2.141 178.558 176.300 0.194 0.000 1.119 662 M CA 0.499 55.903 55.300 0.174 0.000 1.079 662 M CB -0.087 32.591 32.600 0.131 0.000 1.472 662 M HN 0.240 nan 8.290 nan 0.000 0.501 663 A N 0.179 123.114 122.820 0.192 0.000 1.968 663 A HA -0.071 4.250 4.320 0.003 0.000 0.217 663 A C 2.061 179.792 177.584 0.244 0.000 1.169 663 A CA 1.595 53.778 52.037 0.244 0.000 0.638 663 A CB -0.715 18.386 19.000 0.169 0.000 0.812 663 A HN 0.391 nan 8.150 nan 0.000 0.446 664 T N -0.716 113.957 114.554 0.198 0.000 3.113 664 T HA 0.018 4.370 4.350 0.003 0.000 0.256 664 T C 1.589 176.376 174.700 0.144 0.000 1.131 664 T CA 0.968 63.160 62.100 0.154 0.000 1.074 664 T CB 0.127 69.095 68.868 0.167 0.000 0.944 664 T HN 0.691 nan 8.240 nan 0.000 0.516 665 E N 0.998 121.312 120.200 0.190 0.000 2.033 665 E HA -0.109 4.243 4.350 0.003 0.000 0.189 665 E C 1.888 178.598 176.600 0.182 0.000 0.979 665 E CA 0.766 57.271 56.400 0.176 0.000 0.802 665 E CB -0.116 29.693 29.700 0.182 0.000 0.763 665 E HN 0.768 nan 8.360 nan 0.000 0.449 666 Y N -0.357 119.975 120.300 0.052 0.000 2.516 666 Y HA 0.121 4.672 4.550 0.002 0.000 0.291 666 Y C 1.568 177.489 175.900 0.034 0.000 1.131 666 Y CA 0.155 58.278 58.100 0.037 0.000 1.281 666 Y CB 0.231 38.710 38.460 0.032 0.000 1.013 666 Y HN -0.094 nan 8.280 nan 0.000 0.554 667 Q N 2.137 121.773 119.800 -0.273 0.000 2.259 667 Q HA 0.105 4.446 4.340 0.003 0.000 0.228 667 Q C -0.977 174.955 176.000 -0.113 0.000 0.909 667 Q CA 0.404 56.029 55.803 -0.297 0.000 0.948 667 Q CB -0.192 28.421 28.738 -0.208 0.000 1.041 667 Q HN 0.609 nan 8.270 nan 0.000 0.445 678 E N 0.176 120.475 120.200 0.165 0.000 2.660 678 E HA 0.065 4.416 4.350 0.003 0.000 0.216 678 E C -0.218 176.487 176.600 0.176 0.000 0.986 678 E CA -0.508 55.977 56.400 0.141 0.000 1.037 678 E CB -0.095 29.666 29.700 0.102 0.000 1.041 678 E HN 0.086 nan 8.360 nan 0.000 0.480 679 Y N 3.393 123.742 120.300 0.083 0.000 2.496 679 Y HA 0.172 4.723 4.550 0.003 0.000 0.334 679 Y C 0.643 176.611 175.900 0.114 0.000 1.080 679 Y CA 0.291 58.448 58.100 0.094 0.000 1.355 679 Y CB 0.569 39.093 38.460 0.106 0.000 1.193 679 Y HN 0.061 nan 8.280 nan 0.000 0.523 680 T N 1.802 116.268 114.554 -0.148 0.000 2.858 680 T HA 0.088 4.440 4.350 0.003 0.000 0.285 680 T C 0.762 175.437 174.700 -0.041 0.000 1.052 680 T CA -0.828 61.272 62.100 -0.000 0.000 1.009 680 T CB 0.558 69.450 68.868 0.040 0.000 1.241 680 T HN 0.831 nan 8.240 nan 0.000 0.542 681 W N 0.726 121.984 121.300 -0.070 0.000 2.298 681 W HA -0.261 4.400 4.660 0.003 0.000 0.328 681 W C 2.316 178.773 176.519 -0.102 0.000 1.259 681 W CA 2.479 59.792 57.345 -0.053 0.000 1.251 681 W CB -0.786 28.681 29.460 0.011 0.000 1.161 681 W HN 0.723 nan 8.180 nan 0.000 0.466 682 S N 0.467 116.180 115.700 0.021 0.000 2.387 682 S HA -0.253 4.219 4.470 0.003 0.000 0.230 682 S C 2.058 176.515 174.600 -0.238 0.000 1.035 682 S CA 2.477 60.619 58.200 -0.096 0.000 1.014 682 S CB -0.734 62.478 63.200 0.020 0.000 0.836 682 S HN 0.438 nan 8.310 nan 0.000 0.466 683 S N 0.312 115.827 115.700 -0.309 0.000 2.507 683 S HA 0.092 4.564 4.470 0.003 0.000 0.235 683 S C 1.645 175.952 174.600 -0.489 0.000 0.988 683 S CA 0.634 58.577 58.200 -0.428 0.000 0.944 683 S CB -0.436 62.384 63.200 -0.634 0.000 0.762 683 S HN 0.527 nan 8.310 nan 0.000 0.526 684 L N -0.212 120.703 121.223 -0.514 0.000 2.127 684 L HA 0.246 4.587 4.340 0.003 0.000 0.203 684 L C 2.385 178.973 176.870 -0.470 0.000 1.080 684 L CA 0.503 55.068 54.840 -0.458 0.000 0.768 684 L CB -0.392 41.328 42.059 -0.564 0.000 0.924 684 L HN 0.287 nan 8.230 nan 0.000 0.444 685 L N -0.085 120.798 121.223 -0.566 0.000 2.275 685 L HA -0.111 4.230 4.340 0.003 0.000 0.215 685 L C 1.899 178.623 176.870 -0.243 0.000 1.119 685 L CA 1.443 56.017 54.840 -0.442 0.000 0.790 685 L CB -0.375 41.459 42.059 -0.374 0.000 0.919 685 L HN 0.304 nan 8.230 nan 0.000 0.443 686 N N -1.196 117.382 118.700 -0.205 0.000 2.322 686 N HA 0.009 4.750 4.740 0.003 0.000 0.181 686 N C 0.973 176.427 175.510 -0.094 0.000 1.088 686 N CA 0.298 53.274 53.050 -0.124 0.000 0.885 686 N CB 0.321 38.752 38.487 -0.094 0.000 1.013 686 N HN 0.442 nan 8.380 nan 0.000 0.472 687 E N 0.433 120.570 120.200 -0.105 0.000 2.476 687 E HA 0.131 4.482 4.350 0.003 0.000 0.191 687 E C 0.148 176.705 176.600 -0.072 0.000 1.064 687 E CA -0.235 56.135 56.400 -0.050 0.000 0.866 687 E CB 0.138 29.845 29.700 0.012 0.000 0.952 687 E HN 0.281 nan 8.360 nan 0.000 0.492 688 G N 1.512 110.244 108.800 -0.113 0.000 2.289 688 G HA2 -0.257 3.705 3.960 0.003 0.000 0.280 688 G HA3 -0.257 3.705 3.960 0.003 0.000 0.280 688 G C 0.438 175.269 174.900 -0.114 0.000 1.089 688 G CA 0.105 45.141 45.100 -0.106 0.000 0.939 688 G HN 0.298 nan 8.290 nan 0.000 0.499 689 L N -1.814 119.302 121.223 -0.179 0.000 2.642 689 L HA 0.372 4.714 4.340 0.003 0.000 0.233 689 L C 0.514 177.277 176.870 -0.177 0.000 1.077 689 L CA 0.220 54.960 54.840 -0.167 0.000 0.879 689 L CB 0.749 42.662 42.059 -0.244 0.000 1.151 689 L HN 0.180 nan 8.230 nan 0.000 0.495 690 V N -0.346 119.378 119.914 -0.317 0.000 2.777 690 V HA 0.310 4.431 4.120 0.003 0.000 0.306 690 V C -0.828 175.023 176.094 -0.405 0.000 1.112 690 V CA -0.802 61.248 62.300 -0.416 0.000 0.917 690 V CB 2.707 34.102 31.823 -0.714 0.000 1.018 690 V HN 0.026 nan 8.190 nan 0.000 0.426 691 E N 1.493 121.487 120.200 -0.343 0.000 2.243 691 E HA 0.602 4.953 4.350 0.003 0.000 0.260 691 E C -1.675 174.706 176.600 -0.365 0.000 0.985 691 E CA -0.764 55.463 56.400 -0.289 0.000 0.858 691 E CB 1.853 31.446 29.700 -0.178 0.000 1.210 691 E HN 0.627 nan 8.360 nan 0.000 0.411 692 Y N 1.167 121.413 120.300 -0.090 0.000 2.326 692 Y HA 0.251 4.803 4.550 0.002 0.000 0.337 692 Y C -0.091 175.773 175.900 -0.061 0.000 1.023 692 Y CA -0.671 57.419 58.100 -0.017 0.000 1.143 692 Y CB 0.620 39.080 38.460 -0.000 0.000 1.183 692 Y HN 0.176 nan 8.280 nan 0.000 0.485 693 I N 4.687 125.312 120.570 0.091 0.000 2.377 693 I HA 0.174 4.346 4.170 0.003 0.000 0.293 693 I C 0.043 176.256 176.117 0.159 0.000 0.987 693 I CA -0.972 60.372 61.300 0.072 0.000 1.185 693 I CB 1.209 39.215 38.000 0.010 0.000 1.341 693 I HN 0.673 nan 8.210 nan 0.000 0.455 694 D N 5.067 125.547 120.400 0.133 0.000 2.478 694 D HA 0.355 4.997 4.640 0.003 0.000 0.263 694 D C 0.753 177.126 176.300 0.121 0.000 1.153 694 D CA -0.502 53.584 54.000 0.142 0.000 1.038 694 D CB 1.652 42.506 40.800 0.091 0.000 1.120 694 D HN 0.433 nan 8.370 nan 0.000 0.564 695 A N 0.026 122.920 122.820 0.124 0.000 1.902 695 A HA -0.231 4.090 4.320 0.003 0.000 0.217 695 A C 2.038 179.711 177.584 0.149 0.000 1.181 695 A CA 2.181 54.304 52.037 0.144 0.000 0.623 695 A CB -0.899 18.206 19.000 0.175 0.000 0.818 695 A HN 0.713 nan 8.150 nan 0.000 0.443 696 E N 0.079 120.323 120.200 0.074 0.000 2.051 696 E HA -0.215 4.137 4.350 0.003 0.000 0.192 696 E C 1.934 178.570 176.600 0.060 0.000 0.991 696 E CA 1.753 58.173 56.400 0.034 0.000 0.799 696 E CB -0.271 29.339 29.700 -0.150 0.000 0.748 696 E HN 0.713 nan 8.360 nan 0.000 0.449 697 E N 0.039 120.277 120.200 0.063 0.000 2.274 697 E HA -0.162 4.190 4.350 0.003 0.000 0.194 697 E C 1.537 178.204 176.600 0.111 0.000 0.996 697 E CA 0.524 56.974 56.400 0.083 0.000 0.840 697 E CB -0.044 29.701 29.700 0.076 0.000 0.772 697 E HN 0.325 nan 8.360 nan 0.000 0.491 698 E N 0.168 120.444 120.200 0.127 0.000 2.510 698 E HA -0.154 4.198 4.350 0.003 0.000 0.202 698 E C 1.297 177.964 176.600 0.112 0.000 1.072 698 E CA 0.324 56.812 56.400 0.147 0.000 0.883 698 E CB 0.231 30.022 29.700 0.151 0.000 0.818 698 E HN 0.242 nan 8.360 nan 0.000 0.548 699 E N -0.480 119.781 120.200 0.102 0.000 2.318 699 E HA -0.031 4.320 4.350 0.003 0.000 0.193 699 E C 1.210 177.838 176.600 0.046 0.000 0.998 699 E CA 0.536 56.983 56.400 0.078 0.000 0.859 699 E CB 0.518 30.267 29.700 0.082 0.000 0.812 699 E HN 0.136 nan 8.360 nan 0.000 0.492 700 S N 0.256 115.987 115.700 0.053 0.000 2.588 700 S HA 0.280 4.751 4.470 0.003 0.000 0.245 700 S C 0.777 175.395 174.600 0.031 0.000 1.021 700 S CA -0.608 57.613 58.200 0.036 0.000 1.006 700 S CB -0.604 62.623 63.200 0.045 0.000 0.830 700 S HN 0.195 nan 8.310 nan 0.000 0.468 701 I N -2.611 117.974 120.570 0.025 0.000 3.445 701 I HA 0.825 4.996 4.170 0.003 0.000 0.303 701 I C -1.494 174.567 176.117 -0.093 0.000 1.129 701 I CA -1.879 59.414 61.300 -0.012 0.000 0.989 701 I CB 1.923 39.957 38.000 0.056 0.000 1.314 701 I HN 0.069 nan 8.210 nan 0.000 0.488 702 L N 2.765 123.879 121.223 -0.180 0.000 2.573 702 L HA 0.542 4.883 4.340 0.003 0.000 0.260 702 L C -0.978 175.815 176.870 -0.129 0.000 0.997 702 L CA -0.077 54.657 54.840 -0.176 0.000 0.890 702 L CB 1.023 42.941 42.059 -0.235 0.000 1.179 702 L HN 0.503 nan 8.230 nan 0.000 0.439 703 I N 3.485 123.989 120.570 -0.111 0.000 2.575 703 I HA 0.510 4.681 4.170 0.003 0.000 0.285 703 I C 0.889 177.155 176.117 0.249 0.000 1.085 703 I CA -0.144 61.138 61.300 -0.030 0.000 1.403 703 I CB 1.339 39.344 38.000 0.008 0.000 1.409 703 I HN 0.729 nan 8.210 nan 0.000 0.557 704 A N 5.192 128.105 122.820 0.154 0.000 2.279 704 A HA 0.515 4.836 4.320 0.003 0.000 0.303 704 A C 0.443 177.991 177.584 -0.060 0.000 1.108 704 A CA -0.538 51.412 52.037 -0.146 0.000 0.830 704 A CB 1.206 19.798 19.000 -0.680 0.000 1.106 704 A HN 0.812 nan 8.150 nan 0.000 0.493 705 M N -0.216 119.327 119.600 -0.095 0.000 2.556 705 M HA 0.172 4.653 4.480 0.003 0.000 0.259 705 M C 0.721 176.963 176.300 -0.097 0.000 1.175 705 M CA 1.615 56.884 55.300 -0.051 0.000 1.202 705 M CB 0.083 32.666 32.600 -0.030 0.000 1.298 705 M HN 0.745 nan 8.290 nan 0.000 0.492 706 Q N -0.540 119.186 119.800 -0.124 0.000 2.337 706 Q HA 0.279 4.621 4.340 0.003 0.000 0.266 706 Q C -2.008 173.903 176.000 -0.149 0.000 1.023 706 Q CA -1.892 53.843 55.803 -0.112 0.000 0.829 706 Q CB 2.042 30.734 28.738 -0.077 0.000 1.306 706 Q HN 0.032 nan 8.270 nan 0.000 0.449 707 P HA -0.201 nan 4.420 nan 0.000 0.217 707 P C 0.568 177.799 177.300 -0.115 0.000 1.151 707 P CA 1.256 64.263 63.100 -0.156 0.000 0.828 707 P CB 0.311 31.904 31.700 -0.178 0.000 0.788 708 E N -0.801 119.357 120.200 -0.071 0.000 2.102 708 E HA -0.069 4.283 4.350 0.003 0.000 0.190 708 E C 0.799 177.390 176.600 -0.016 0.000 0.971 708 E CA 0.812 57.192 56.400 -0.033 0.000 0.821 708 E CB -0.722 28.974 29.700 -0.006 0.000 0.777 708 E HN 0.077 nan 8.360 nan 0.000 0.460 709 D N 0.339 120.720 120.400 -0.032 0.000 2.340 709 D HA 0.196 4.837 4.640 0.003 0.000 0.217 709 D C 0.169 176.408 176.300 -0.103 0.000 1.081 709 D CA 0.210 54.190 54.000 -0.033 0.000 0.842 709 D CB 0.722 41.491 40.800 -0.052 0.000 0.934 709 D HN 0.147 nan 8.370 nan 0.000 0.511 710 L N 1.019 122.188 121.223 -0.089 0.000 2.960 710 L HA 0.226 4.567 4.340 0.003 0.000 0.274 710 L C -0.144 176.687 176.870 -0.065 0.000 1.327 710 L CA 0.006 54.775 54.840 -0.119 0.000 0.860 710 L CB 0.237 42.131 42.059 -0.275 0.000 1.239 710 L HN -0.024 nan 8.230 nan 0.000 0.551 711 E N -1.716 118.555 120.200 0.118 0.000 2.537 711 E HA 0.002 4.354 4.350 0.003 0.000 0.145 711 E C -2.771 173.761 176.600 -0.113 0.000 0.976 711 E CA -0.470 55.943 56.400 0.021 0.000 1.302 711 E CB -0.921 28.749 29.700 -0.050 0.000 0.857 711 E HN 0.168 nan 8.360 nan 0.000 0.377 712 P HA 0.523 nan 4.420 nan 0.000 0.328 712 P C 0.285 177.433 177.300 -0.253 0.000 1.305 712 P CA -0.098 62.913 63.100 -0.148 0.000 0.745 712 P CB 0.489 32.171 31.700 -0.030 0.000 1.462 713 A N -0.609 122.099 122.820 -0.188 0.000 2.251 713 A HA 0.307 4.629 4.320 0.003 0.000 0.278 713 A C 0.574 178.025 177.584 -0.221 0.000 1.206 713 A CA -0.088 51.835 52.037 -0.191 0.000 0.822 713 A CB -0.356 18.581 19.000 -0.104 0.000 1.187 713 A HN 0.495 nan 8.150 nan 0.000 0.504 723 V N 0.799 120.724 119.914 0.019 0.000 2.614 723 V HA 0.359 4.480 4.120 0.003 0.000 0.291 723 V C 0.331 176.437 176.094 0.019 0.000 1.049 723 V CA -0.457 61.855 62.300 0.020 0.000 1.038 723 V CB 1.040 32.875 31.823 0.020 0.000 0.980 723 V HN 0.416 nan 8.190 nan 0.000 0.481 724 D N 6.073 126.486 120.400 0.021 0.000 2.371 724 D HA 0.177 4.819 4.640 0.003 0.000 0.256 724 D C -1.392 174.920 176.300 0.020 0.000 1.193 724 D CA -1.326 52.686 54.000 0.021 0.000 0.881 724 D CB 1.999 42.813 40.800 0.024 0.000 1.143 724 D HN 0.531 nan 8.370 nan 0.000 0.473 725 P HA -0.021 nan 4.420 nan 0.000 0.239 725 P C 0.569 177.878 177.300 0.015 0.000 1.184 725 P CA 0.309 63.418 63.100 0.014 0.000 0.760 725 P CB 0.328 32.035 31.700 0.012 0.000 0.884 726 A N -0.262 122.569 122.820 0.018 0.000 2.044 726 A HA 0.069 4.391 4.320 0.003 0.000 0.213 726 A C 1.199 178.800 177.584 0.029 0.000 1.169 726 A CA 0.326 52.375 52.037 0.020 0.000 0.724 726 A CB -0.364 18.647 19.000 0.017 0.000 0.840 726 A HN 0.111 nan 8.150 nan 0.000 0.463 727 K N 1.614 122.033 120.400 0.032 0.000 2.298 727 K HA 0.223 4.545 4.320 0.003 0.000 0.280 727 K C 0.314 176.933 176.600 0.031 0.000 1.032 727 K CA -0.474 55.837 56.287 0.040 0.000 0.958 727 K CB 0.693 33.218 32.500 0.041 0.000 0.978 727 K HN 0.586 nan 8.250 nan 0.000 0.472 728 R N 1.866 122.385 120.500 0.031 0.000 2.950 728 R HA -0.045 4.297 4.340 0.003 0.000 0.277 728 R C -0.111 176.196 176.300 0.012 0.000 0.984 728 R CA 0.018 56.125 56.100 0.013 0.000 1.163 728 R CB -0.036 30.264 30.300 -0.000 0.000 1.094 728 R HN 0.359 nan 8.270 nan 0.000 0.482 729 I N 1.403 121.975 120.570 0.004 0.000 2.347 729 I HA 0.287 4.459 4.170 0.003 0.000 0.283 729 I C 0.645 176.766 176.117 0.006 0.000 1.058 729 I CA -0.551 60.752 61.300 0.007 0.000 1.202 729 I CB 0.497 38.500 38.000 0.005 0.000 1.386 729 I HN 0.620 nan 8.210 nan 0.000 0.475 730 R N 3.240 123.745 120.500 0.008 0.000 2.577 730 R HA 0.465 4.806 4.340 0.003 0.000 0.269 730 R C 0.769 177.072 176.300 0.004 0.000 1.084 730 R CA -0.421 55.684 56.100 0.008 0.000 1.163 730 R CB 1.524 31.827 30.300 0.005 0.000 1.100 730 R HN 0.376 nan 8.270 nan 0.000 0.547 731 V N -0.131 119.787 119.914 0.007 0.000 2.295 731 V HA 0.064 4.186 4.120 0.003 0.000 0.212 731 V C 0.577 176.691 176.094 0.034 0.000 1.025 731 V CA 0.925 63.242 62.300 0.028 0.000 1.060 731 V CB -0.179 31.666 31.823 0.036 0.000 0.674 731 V HN 0.772 nan 8.190 nan 0.000 0.470 732 S N -3.545 112.173 115.700 0.031 0.000 2.656 732 S HA 0.351 4.822 4.470 0.003 0.000 0.265 732 S C 0.145 174.714 174.600 -0.052 0.000 1.132 732 S CA -0.454 57.736 58.200 -0.016 0.000 0.819 732 S CB 0.749 64.018 63.200 0.115 0.000 1.119 732 S HN 0.565 nan 8.310 nan 0.000 0.476 733 H N 0.639 119.701 119.070 -0.014 0.000 2.491 733 H HA 0.152 4.710 4.556 0.003 0.000 0.290 733 H C 0.412 175.811 175.328 0.117 0.000 1.050 733 H CA 1.058 57.133 56.048 0.046 0.000 1.309 733 H CB -0.226 29.524 29.762 -0.020 0.000 1.392 733 H HN 0.420 nan 8.280 nan 0.000 0.554 734 H N 1.168 120.338 119.070 0.168 0.000 3.157 734 H HA -0.035 4.522 4.556 0.002 0.000 0.279 734 H C 0.699 176.030 175.328 0.005 0.000 0.880 734 H CA 0.999 57.090 56.048 0.072 0.000 1.394 734 H CB -0.399 29.381 29.762 0.028 0.000 1.247 734 H HN 0.646 nan 8.280 nan 0.000 0.553 735 A N 3.218 126.080 122.820 0.070 0.000 2.425 735 A HA -0.113 4.208 4.320 0.003 0.000 0.682 735 A C 0.402 177.841 177.584 -0.243 0.000 0.148 735 A CA 0.399 52.367 52.037 -0.115 0.000 0.059 735 A CB -1.329 17.543 19.000 -0.213 0.000 3.953 735 A HN 0.765 nan 8.150 nan 0.000 0.545 736 T N 2.319 116.776 114.554 -0.162 0.000 3.331 736 T HA 0.599 4.950 4.350 0.003 0.000 0.381 736 T C 0.622 175.254 174.700 -0.113 0.000 1.656 736 T CA 0.279 62.323 62.100 -0.095 0.000 1.453 736 T CB 0.111 68.999 68.868 0.032 0.000 1.066 736 T HN 1.702 nan 8.240 nan 0.000 0.655 737 T N -1.677 112.723 114.554 -0.257 0.000 3.567 737 T HA 0.269 4.621 4.350 0.003 0.000 0.314 737 T C 0.097 174.723 174.700 -0.123 0.000 0.942 737 T CA -0.548 61.469 62.100 -0.139 0.000 0.997 737 T CB -0.723 68.064 68.868 -0.134 0.000 1.205 737 T HN 0.301 nan 8.240 nan 0.000 0.518 738 F N 4.029 123.970 119.950 -0.016 0.000 2.514 738 F HA 0.128 4.657 4.527 0.003 0.000 0.399 738 F C 2.243 178.026 175.800 -0.027 0.000 1.011 738 F CA 0.603 58.579 58.000 -0.039 0.000 1.109 738 F CB 0.229 39.217 39.000 -0.021 0.000 0.980 738 F HN 0.325 nan 8.300 nan 0.000 0.538 739 T N -0.021 114.579 114.554 0.078 0.000 2.851 739 T HA -0.013 4.338 4.350 0.003 0.000 0.262 739 T C 0.238 175.041 174.700 0.172 0.000 1.043 739 T CA 1.307 63.461 62.100 0.089 0.000 1.140 739 T CB -0.442 68.463 68.868 0.062 0.000 0.872 739 T HN 0.679 nan 8.240 nan 0.000 0.446 740 H N -1.720 117.442 119.070 0.152 0.000 3.016 740 H HA 0.710 5.268 4.556 0.003 0.000 0.362 740 H C -1.477 173.939 175.328 0.145 0.000 1.233 740 H CA -1.527 54.601 56.048 0.133 0.000 1.124 740 H CB 1.075 30.893 29.762 0.093 0.000 1.850 740 H HN 0.277 nan 8.280 nan 0.000 0.549 741 C N 2.050 121.527 119.300 0.296 0.000 2.411 741 C HA 0.554 5.015 4.460 0.003 0.000 0.330 741 C C 0.256 175.419 174.990 0.289 0.000 1.224 741 C CA -0.258 58.869 59.018 0.182 0.000 1.770 741 C CB 0.491 28.257 27.740 0.043 0.000 2.297 741 C HN 1.012 nan 8.230 nan 0.000 0.507 742 E N 2.855 123.174 120.200 0.197 0.000 2.373 742 E HA 0.196 4.547 4.350 0.003 0.000 0.263 742 E C 0.979 177.682 176.600 0.171 0.000 1.073 742 E CA -0.207 56.292 56.400 0.166 0.000 0.894 742 E CB 0.525 30.302 29.700 0.128 0.000 1.008 742 E HN 0.579 nan 8.360 nan 0.000 0.420 743 I N 1.589 122.193 120.570 0.057 0.000 2.202 743 I HA -0.095 4.077 4.170 0.003 0.000 0.242 743 I C 0.563 176.721 176.117 0.067 0.000 1.091 743 I CA 1.417 62.773 61.300 0.093 0.000 1.368 743 I CB -0.790 37.090 38.000 -0.201 0.000 1.058 743 I HN 0.610 nan 8.210 nan 0.000 0.410 744 H N -1.211 117.732 119.070 -0.211 0.000 3.153 744 H HA 0.203 4.760 4.556 0.003 0.000 0.323 744 H C -2.324 172.820 175.328 -0.307 0.000 1.096 744 H CA -0.745 55.120 56.048 -0.304 0.000 1.385 744 H CB 1.690 31.096 29.762 -0.593 0.000 2.027 744 H HN -0.288 nan 8.280 nan 0.000 0.499 745 P HA -0.106 nan 4.420 nan 0.000 0.223 745 P C 1.191 178.133 177.300 -0.598 0.000 1.151 745 P CA 1.494 64.211 63.100 -0.639 0.000 0.787 745 P CB 0.223 31.346 31.700 -0.962 0.000 0.788 746 S N -1.482 114.078 115.700 -0.234 0.000 2.537 746 S HA -0.070 4.401 4.470 0.003 0.000 0.240 746 S C 1.529 176.129 174.600 -0.000 0.000 0.981 746 S CA 0.798 59.053 58.200 0.091 0.000 0.948 746 S CB -0.975 62.536 63.200 0.518 0.000 0.759 746 S HN -0.040 nan 8.310 nan 0.000 0.531 747 M N 1.534 121.051 119.600 -0.138 0.000 2.494 747 M HA 0.330 4.812 4.480 0.003 0.000 0.232 747 M C 1.584 177.714 176.300 -0.284 0.000 1.137 747 M CA 0.141 55.333 55.300 -0.180 0.000 1.012 747 M CB -0.887 31.580 32.600 -0.222 0.000 1.567 747 M HN 0.591 nan 8.290 nan 0.000 0.486 748 I N -2.256 118.076 120.570 -0.398 0.000 2.761 748 I HA 0.010 4.181 4.170 0.003 0.000 0.261 748 I C 0.751 176.697 176.117 -0.285 0.000 1.198 748 I CA 0.264 61.264 61.300 -0.500 0.000 1.482 748 I CB -0.244 37.252 38.000 -0.841 0.000 1.100 748 I HN -0.008 nan 8.210 nan 0.000 0.445 749 L N 1.735 122.855 121.223 -0.171 0.000 2.453 749 L HA 0.449 4.790 4.340 0.003 0.000 0.261 749 L C 1.200 178.016 176.870 -0.089 0.000 1.179 749 L CA -0.192 54.590 54.840 -0.096 0.000 0.813 749 L CB 0.770 42.812 42.059 -0.028 0.000 1.110 749 L HN 0.168 nan 8.230 nan 0.000 0.466 750 G N 0.618 109.370 108.800 -0.080 0.000 2.582 750 G HA2 0.349 4.311 3.960 0.003 0.000 0.232 750 G HA3 0.349 4.311 3.960 0.003 0.000 0.232 750 G C 1.007 175.877 174.900 -0.050 0.000 1.458 750 G CA -0.290 44.767 45.100 -0.072 0.000 1.062 750 G HN 0.385 nan 8.290 nan 0.000 0.566 751 V N 1.078 120.961 119.914 -0.052 0.000 2.216 751 V HA -0.117 4.004 4.120 0.003 0.000 0.242 751 V C 3.361 179.412 176.094 -0.071 0.000 1.042 751 V CA 2.600 64.870 62.300 -0.051 0.000 0.991 751 V CB -1.380 30.408 31.823 -0.059 0.000 0.633 751 V HN 0.726 nan 8.190 nan 0.000 0.449 752 A N -0.141 122.635 122.820 -0.073 0.000 1.972 752 A HA 0.005 4.327 4.320 0.003 0.000 0.219 752 A C 2.292 179.823 177.584 -0.089 0.000 1.169 752 A CA 1.918 53.906 52.037 -0.082 0.000 0.635 752 A CB -0.748 18.219 19.000 -0.055 0.000 0.810 752 A HN 0.647 nan 8.150 nan 0.000 0.446 753 A N -0.931 121.847 122.820 -0.070 0.000 2.066 753 A HA 0.058 4.380 4.320 0.003 0.000 0.218 753 A C 2.193 179.744 177.584 -0.056 0.000 1.157 753 A CA 1.514 53.519 52.037 -0.054 0.000 0.670 753 A CB -0.511 18.465 19.000 -0.040 0.000 0.804 753 A HN 0.383 nan 8.150 nan 0.000 0.453 754 S N 0.040 115.701 115.700 -0.065 0.000 2.555 754 S HA 0.016 4.488 4.470 0.003 0.000 0.230 754 S C 1.457 175.980 174.600 -0.128 0.000 0.978 754 S CA 0.474 58.642 58.200 -0.053 0.000 0.934 754 S CB -0.247 62.943 63.200 -0.018 0.000 0.766 754 S HN 0.500 nan 8.310 nan 0.000 0.533 755 I N 1.130 121.577 120.570 -0.205 0.000 2.716 755 I HA 0.115 4.287 4.170 0.003 0.000 0.259 755 I C 0.839 176.814 176.117 -0.236 0.000 1.172 755 I CA 0.331 61.420 61.300 -0.352 0.000 1.478 755 I CB -0.970 36.729 38.000 -0.502 0.000 1.104 755 I HN 0.210 nan 8.210 nan 0.000 0.439 756 I N 4.858 125.343 120.570 -0.142 0.000 2.662 756 I HA -0.011 4.160 4.170 0.003 0.000 0.285 756 I C -1.913 174.174 176.117 -0.051 0.000 1.161 756 I CA -1.055 60.187 61.300 -0.096 0.000 1.415 756 I CB 0.079 38.063 38.000 -0.026 0.000 1.385 756 I HN -0.061 nan 8.210 nan 0.000 0.552 757 P HA 0.165 nan 4.420 nan 0.000 0.287 757 P C -0.576 176.902 177.300 0.297 0.000 1.294 757 P CA -0.289 62.837 63.100 0.044 0.000 0.776 757 P CB 0.379 32.164 31.700 0.142 0.000 0.889 758 F N 3.090 123.125 119.950 0.141 0.000 2.807 758 F HA -0.151 4.377 4.527 0.002 0.000 0.297 758 F C -1.110 174.807 175.800 0.195 0.000 1.024 758 F CA 0.089 58.202 58.000 0.188 0.000 1.008 758 F CB -1.861 37.224 39.000 0.142 0.000 1.142 758 F HN 0.359 nan 8.300 nan 0.000 0.829 759 P HA -0.119 nan 4.420 nan 0.000 0.225 759 P C 1.295 178.659 177.300 0.106 0.000 1.156 759 P CA 1.757 64.961 63.100 0.174 0.000 0.787 759 P CB 0.135 31.899 31.700 0.108 0.000 0.802 760 D N -1.077 119.342 120.400 0.032 0.000 2.269 760 D HA -0.186 4.455 4.640 0.003 0.000 0.208 760 D C 1.265 177.462 176.300 -0.171 0.000 0.963 760 D CA 1.023 54.920 54.000 -0.172 0.000 0.864 760 D CB -1.322 39.202 40.800 -0.461 0.000 0.936 760 D HN 0.310 nan 8.370 nan 0.000 0.505 761 H N -0.299 118.794 119.070 0.038 0.000 2.538 761 H HA 0.274 4.832 4.556 0.003 0.000 0.286 761 H C -0.144 175.186 175.328 0.003 0.000 1.035 761 H CA -0.158 55.893 56.048 0.004 0.000 1.169 761 H CB 0.146 29.896 29.762 -0.019 0.000 1.417 761 H HN 0.066 nan 8.280 nan 0.000 0.567 762 N N 0.725 119.494 118.700 0.115 0.000 2.240 762 N HA 0.042 4.783 4.740 0.003 0.000 0.302 762 N C -0.726 174.825 175.510 0.067 0.000 1.106 762 N CA -0.568 52.543 53.050 0.101 0.000 0.778 762 N CB 2.087 40.677 38.487 0.171 0.000 1.431 762 N HN 0.090 nan 8.380 nan 0.000 0.479 763 Q N 1.065 120.903 119.800 0.063 0.000 2.332 763 Q HA 0.150 4.492 4.340 0.003 0.000 0.263 763 Q C 0.258 176.297 176.000 0.066 0.000 0.979 763 Q CA 0.252 56.087 55.803 0.052 0.000 0.885 763 Q CB 0.738 29.506 28.738 0.050 0.000 1.218 763 Q HN 0.704 nan 8.270 nan 0.000 0.405 764 S N 4.472 120.199 115.700 0.045 0.000 2.356 764 S HA -0.089 4.382 4.470 0.003 0.000 0.223 764 S C -1.132 173.485 174.600 0.029 0.000 1.032 764 S CA 1.449 59.669 58.200 0.034 0.000 1.005 764 S CB -0.631 62.580 63.200 0.017 0.000 0.867 764 S HN 0.663 nan 8.310 nan 0.000 0.449 765 P HA -0.050 nan 4.420 nan 0.000 0.219 765 P C 1.319 178.676 177.300 0.094 0.000 1.146 765 P CA 0.852 63.959 63.100 0.011 0.000 0.808 765 P CB 0.051 31.805 31.700 0.091 0.000 0.779 766 R N -0.394 120.232 120.500 0.210 0.000 2.066 766 R HA -0.036 4.306 4.340 0.003 0.000 0.232 766 R C 1.833 178.268 176.300 0.224 0.000 1.131 766 R CA 1.075 57.364 56.100 0.314 0.000 0.955 766 R CB -1.717 28.715 30.300 0.220 0.000 0.851 766 R HN 0.239 nan 8.270 nan 0.000 0.432 767 N N 0.070 118.846 118.700 0.127 0.000 2.149 767 N HA -0.116 4.626 4.740 0.003 0.000 0.188 767 N C 1.569 177.090 175.510 0.017 0.000 1.019 767 N CA 1.695 54.791 53.050 0.077 0.000 0.857 767 N CB -0.492 38.029 38.487 0.057 0.000 0.997 767 N HN 0.212 nan 8.380 nan 0.000 0.426 768 T N 0.098 114.617 114.554 -0.057 0.000 2.788 768 T HA -0.095 4.257 4.350 0.003 0.000 0.268 768 T C 1.591 176.193 174.700 -0.164 0.000 1.044 768 T CA 1.029 63.029 62.100 -0.167 0.000 1.139 768 T CB -0.326 68.362 68.868 -0.301 0.000 0.867 768 T HN 0.340 nan 8.240 nan 0.000 0.454 769 Y N 1.040 121.348 120.300 0.013 0.000 2.220 769 Y HA -0.071 4.480 4.550 0.003 0.000 0.291 769 Y C 2.868 178.779 175.900 0.018 0.000 1.129 769 Y CA 0.719 58.828 58.100 0.015 0.000 1.161 769 Y CB -0.315 38.160 38.460 0.025 0.000 0.997 769 Y HN 0.081 nan 8.280 nan 0.000 0.522 770 Q N 0.427 120.333 119.800 0.176 0.000 2.152 770 Q HA -0.171 4.171 4.340 0.003 0.000 0.206 770 Q C 2.129 178.158 176.000 0.047 0.000 0.985 770 Q CA 2.190 58.050 55.803 0.095 0.000 0.863 770 Q CB -0.469 28.297 28.738 0.047 0.000 0.904 770 Q HN 0.278 nan 8.270 nan 0.000 0.422 771 S N -0.625 115.086 115.700 0.019 0.000 2.371 771 S HA 0.020 4.492 4.470 0.003 0.000 0.224 771 S C 1.683 176.278 174.600 -0.008 0.000 1.029 771 S CA 0.907 59.098 58.200 -0.015 0.000 0.978 771 S CB -0.310 62.864 63.200 -0.044 0.000 0.833 771 S HN 0.594 nan 8.310 nan 0.000 0.466 772 A N 0.105 122.927 122.820 0.003 0.000 2.169 772 A HA 0.276 4.598 4.320 0.003 0.000 0.212 772 A C 1.903 179.507 177.584 0.032 0.000 1.153 772 A CA 0.469 52.512 52.037 0.009 0.000 0.756 772 A CB -0.273 18.730 19.000 0.004 0.000 0.813 772 A HN 0.429 nan 8.150 nan 0.000 0.471 773 M N -1.410 118.224 119.600 0.057 0.000 2.412 773 M HA 0.067 4.549 4.480 0.003 0.000 0.263 773 M C 2.270 178.604 176.300 0.056 0.000 1.122 773 M CA 0.985 56.323 55.300 0.063 0.000 1.179 773 M CB -0.324 32.333 32.600 0.094 0.000 1.335 773 M HN 0.491 nan 8.290 nan 0.000 0.465 774 G N 1.358 110.199 108.800 0.069 0.000 2.657 774 G HA2 -0.268 3.694 3.960 0.003 0.000 0.224 774 G HA3 -0.268 3.694 3.960 0.003 0.000 0.224 774 G C 1.342 176.293 174.900 0.085 0.000 1.086 774 G CA 1.139 46.291 45.100 0.087 0.000 0.730 774 G HN 0.456 nan 8.290 nan 0.000 0.602 775 K N -0.465 119.958 120.400 0.038 0.000 2.487 775 K HA 0.105 4.427 4.320 0.003 0.000 0.192 775 K C 1.811 178.387 176.600 -0.040 0.000 1.027 775 K CA 0.470 56.767 56.287 0.016 0.000 1.054 775 K CB 0.271 32.764 32.500 -0.011 0.000 0.824 775 K HN 0.383 nan 8.250 nan 0.000 0.510 776 Q N -0.388 119.378 119.800 -0.057 0.000 2.179 776 Q HA 0.215 4.556 4.340 0.003 0.000 0.244 776 Q C -0.153 175.790 176.000 -0.094 0.000 0.808 776 Q CA -0.324 55.322 55.803 -0.261 0.000 0.955 776 Q CB 1.182 29.781 28.738 -0.232 0.000 1.141 776 Q HN 0.187 nan 8.270 nan 0.000 0.485 777 A N 1.212 124.094 122.820 0.103 0.000 2.520 777 A HA 0.223 4.544 4.320 0.003 0.000 0.235 777 A C 0.007 177.805 177.584 0.357 0.000 1.065 777 A CA 0.267 52.427 52.037 0.205 0.000 0.764 777 A CB 0.134 19.281 19.000 0.245 0.000 1.002 777 A HN 0.250 nan 8.150 nan 0.000 0.502 778 M N 1.448 121.241 119.600 0.321 0.000 2.288 778 M HA 0.545 5.026 4.480 0.003 0.000 0.334 778 M C 0.909 177.314 176.300 0.174 0.000 1.150 778 M CA 0.973 56.419 55.300 0.242 0.000 1.118 778 M CB 1.642 34.346 32.600 0.173 0.000 1.501 778 M HN 0.981 nan 8.290 nan 0.000 0.462 779 G N 0.704 109.555 108.800 0.086 0.000 2.512 779 G HA2 0.459 4.420 3.960 0.003 0.000 0.186 779 G HA3 0.459 4.420 3.960 0.003 0.000 0.186 779 G C -1.890 172.992 174.900 -0.030 0.000 1.189 779 G CA -0.585 44.539 45.100 0.040 0.000 0.994 779 G HN 0.505 nan 8.290 nan 0.000 0.506 780 V N 2.063 121.934 119.914 -0.071 0.000 2.357 780 V HA 0.396 4.518 4.120 0.003 0.000 0.284 780 V C 0.769 176.811 176.094 -0.087 0.000 1.018 780 V CA -0.311 61.890 62.300 -0.166 0.000 0.841 780 V CB 0.734 32.432 31.823 -0.208 0.000 0.991 780 V HN 0.749 nan 8.190 nan 0.000 0.437 781 F N 4.423 124.337 119.950 -0.061 0.000 2.473 781 F HA 0.534 5.062 4.527 0.002 0.000 0.294 781 F C 0.228 176.082 175.800 0.089 0.000 1.103 781 F CA 0.254 58.279 58.000 0.041 0.000 1.442 781 F CB 0.038 39.046 39.000 0.014 0.000 1.097 781 F HN 0.224 nan 8.300 nan 0.000 0.547 782 L N -0.356 120.551 121.223 -0.526 0.000 2.518 782 L HA 0.282 4.623 4.340 0.003 0.000 0.257 782 L C 0.652 177.408 176.870 -0.190 0.000 0.980 782 L CA -0.622 54.084 54.840 -0.223 0.000 0.837 782 L CB 2.200 44.231 42.059 -0.045 0.000 1.410 782 L HN -0.214 nan 8.230 nan 0.000 0.410 783 T N -1.149 113.380 114.554 -0.042 0.000 3.055 783 T HA -0.046 4.306 4.350 0.003 0.000 0.265 783 T C 0.981 175.591 174.700 -0.150 0.000 1.111 783 T CA 1.004 63.091 62.100 -0.021 0.000 1.118 783 T CB -0.384 68.555 68.868 0.118 0.000 0.909 783 T HN 0.622 nan 8.240 nan 0.000 0.501 784 N N 1.432 120.057 118.700 -0.124 0.000 2.455 784 N HA 0.024 4.766 4.740 0.003 0.000 0.258 784 N C 0.833 176.220 175.510 -0.205 0.000 1.158 784 N CA -0.587 52.364 53.050 -0.164 0.000 0.893 784 N CB -0.888 37.561 38.487 -0.063 0.000 1.173 784 N HN 0.601 nan 8.380 nan 0.000 0.503 785 Y N -1.728 118.407 120.300 -0.274 0.000 2.439 785 Y HA 0.194 4.745 4.550 0.002 0.000 0.292 785 Y C 1.751 177.467 175.900 -0.306 0.000 1.130 785 Y CA 0.264 58.174 58.100 -0.317 0.000 1.254 785 Y CB -0.634 37.528 38.460 -0.497 0.000 1.000 785 Y HN 0.043 nan 8.280 nan 0.000 0.554 786 N N 0.930 119.227 118.700 -0.672 0.000 2.381 786 N HA -0.108 4.634 4.740 0.003 0.000 0.182 786 N C 1.193 176.556 175.510 -0.246 0.000 1.025 786 N CA 1.404 54.181 53.050 -0.455 0.000 0.888 786 N CB -0.066 38.138 38.487 -0.472 0.000 0.965 786 N HN 0.359 nan 8.380 nan 0.000 0.438 787 V N -0.775 119.024 119.914 -0.192 0.000 3.431 787 V HA 0.242 4.364 4.120 0.003 0.000 0.253 787 V C 0.775 176.835 176.094 -0.057 0.000 1.184 787 V CA 0.173 62.411 62.300 -0.104 0.000 1.104 787 V CB -0.033 31.741 31.823 -0.082 0.000 0.799 787 V HN 0.080 nan 8.190 nan 0.000 0.462 788 R N 1.003 121.474 120.500 -0.048 0.000 2.410 788 R HA 0.534 4.875 4.340 0.003 0.000 0.288 788 R C -0.471 175.827 176.300 -0.002 0.000 1.051 788 R CA -0.118 55.990 56.100 0.012 0.000 1.021 788 R CB 0.806 31.153 30.300 0.079 0.000 1.032 788 R HN 0.146 nan 8.270 nan 0.000 0.481 789 M N 3.108 122.721 119.600 0.023 0.000 2.023 789 M HA 0.342 4.824 4.480 0.003 0.000 0.325 789 M C -1.326 174.988 176.300 0.023 0.000 0.963 789 M CA -0.417 54.892 55.300 0.015 0.000 0.928 789 M CB 1.313 33.932 32.600 0.031 0.000 1.429 789 M HN 0.457 nan 8.290 nan 0.000 0.404 790 D N 1.546 121.945 120.400 -0.002 0.000 2.756 790 D HA 0.346 4.988 4.640 0.003 0.000 0.226 790 D C -0.561 175.699 176.300 -0.065 0.000 1.186 790 D CA -0.138 53.849 54.000 -0.022 0.000 0.845 790 D CB 2.076 42.862 40.800 -0.022 0.000 1.610 790 D HN 0.342 nan 8.370 nan 0.000 0.465 791 T N 1.018 115.523 114.554 -0.082 0.000 2.888 791 T HA 0.326 4.678 4.350 0.003 0.000 0.301 791 T C 0.588 175.221 174.700 -0.111 0.000 1.001 791 T CA -0.163 61.864 62.100 -0.121 0.000 1.147 791 T CB -0.002 68.798 68.868 -0.113 0.000 0.931 791 T HN 0.415 nan 8.240 nan 0.000 0.541 792 M N 1.352 120.865 119.600 -0.146 0.000 4.045 792 M HA -0.051 4.430 4.480 0.003 0.000 0.157 792 M C -0.349 175.869 176.300 -0.137 0.000 1.532 792 M CA 0.607 55.840 55.300 -0.111 0.000 1.096 792 M CB -1.071 31.558 32.600 0.048 0.000 1.346 792 M HN 1.000 nan 8.290 nan 0.000 0.192 793 A N 4.651 127.375 122.820 -0.160 0.000 2.402 793 A HA 0.811 5.132 4.320 0.003 0.000 0.291 793 A C -0.582 177.008 177.584 0.009 0.000 1.051 793 A CA -0.814 51.196 52.037 -0.045 0.000 0.716 793 A CB 1.359 20.439 19.000 0.133 0.000 1.223 793 A HN 0.705 nan 8.150 nan 0.000 0.425 794 N N 2.092 120.708 118.700 -0.139 0.000 2.479 794 N HA 0.533 5.275 4.740 0.003 0.000 0.261 794 N C -1.531 173.908 175.510 -0.119 0.000 0.979 794 N CA -0.151 52.815 53.050 -0.141 0.000 0.930 794 N CB 1.659 39.877 38.487 -0.449 0.000 1.172 794 N HN 0.511 nan 8.380 nan 0.000 0.499 795 I N 2.228 122.772 120.570 -0.044 0.000 2.509 795 I HA 0.301 4.473 4.170 0.003 0.000 0.293 795 I C -0.108 175.987 176.117 -0.036 0.000 1.020 795 I CA -0.618 60.602 61.300 -0.133 0.000 1.088 795 I CB 1.900 39.671 38.000 -0.381 0.000 1.267 795 I HN 0.271 nan 8.210 nan 0.000 0.430 796 L N 5.560 126.767 121.223 -0.026 0.000 2.397 796 L HA 0.195 4.536 4.340 0.003 0.000 0.271 796 L C 0.642 177.585 176.870 0.121 0.000 1.148 796 L CA 0.404 55.275 54.840 0.052 0.000 0.825 796 L CB 0.355 42.439 42.059 0.042 0.000 1.117 796 L HN 0.459 nan 8.230 nan 0.000 0.456 797 Y N 3.368 123.649 120.300 -0.033 0.000 2.145 797 Y HA -0.124 4.427 4.550 0.002 0.000 0.286 797 Y C 0.084 175.738 175.900 -0.410 0.000 1.145 797 Y CA 1.024 59.036 58.100 -0.148 0.000 1.148 797 Y CB -0.254 38.289 38.460 0.139 0.000 0.981 797 Y HN 0.458 nan 8.280 nan 0.000 0.507 798 Y N -0.790 119.566 120.300 0.094 0.000 2.541 798 Y HA 0.397 4.948 4.550 0.002 0.000 0.350 798 Y C -2.475 173.391 175.900 -0.057 0.000 1.075 798 Y CA -3.624 54.474 58.100 -0.003 0.000 1.302 798 Y CB 0.546 38.996 38.460 -0.017 0.000 1.094 798 Y HN -0.101 nan 8.280 nan 0.000 0.579 799 P HA 0.172 nan 4.420 nan 0.000 0.270 799 P C -0.652 176.656 177.300 0.014 0.000 1.223 799 P CA -0.071 63.028 63.100 -0.002 0.000 0.785 799 P CB 0.778 32.442 31.700 -0.060 0.000 0.923 800 Q N 0.466 120.294 119.800 0.045 0.000 2.315 800 Q HA 0.224 4.566 4.340 0.003 0.000 0.273 800 Q C -0.629 175.417 176.000 0.076 0.000 1.053 800 Q CA -1.054 54.793 55.803 0.074 0.000 0.817 800 Q CB 2.392 31.198 28.738 0.113 0.000 1.326 800 Q HN 0.367 nan 8.270 nan 0.000 0.423 801 K N 2.182 122.560 120.400 -0.037 0.000 2.349 801 K HA 0.311 4.633 4.320 0.003 0.000 0.289 801 K C -2.342 174.167 176.600 -0.151 0.000 1.064 801 K CA -1.424 54.779 56.287 -0.139 0.000 0.947 801 K CB 0.179 32.607 32.500 -0.120 0.000 1.007 801 K HN 0.150 nan 8.250 nan 0.000 0.478 802 P HA -0.162 nan 4.420 nan 0.000 0.267 802 P C 0.318 177.519 177.300 -0.165 0.000 1.175 802 P CA 0.219 62.992 63.100 -0.545 0.000 0.763 802 P CB 0.550 31.757 31.700 -0.822 0.000 0.795 803 L N 0.638 121.830 121.223 -0.053 0.000 2.341 803 L HA 0.123 4.464 4.340 0.003 0.000 0.214 803 L C 1.525 178.369 176.870 -0.044 0.000 1.115 803 L CA 1.121 55.941 54.840 -0.033 0.000 0.820 803 L CB -0.416 41.640 42.059 -0.005 0.000 0.944 803 L HN 0.470 nan 8.230 nan 0.000 0.452 804 G N -0.275 108.498 108.800 -0.045 0.000 2.437 804 G HA2 0.512 4.474 3.960 0.003 0.000 0.315 804 G HA3 0.512 4.474 3.960 0.003 0.000 0.315 804 G C -0.640 174.198 174.900 -0.103 0.000 1.210 804 G CA -0.139 44.936 45.100 -0.042 0.000 0.943 804 G HN 0.011 nan 8.290 nan 0.000 0.471 805 T N -0.799 113.678 114.554 -0.129 0.000 2.876 805 T HA 0.635 4.987 4.350 0.003 0.000 0.289 805 T C 0.253 174.847 174.700 -0.177 0.000 1.014 805 T CA -0.689 61.325 62.100 -0.144 0.000 0.986 805 T CB 1.699 70.494 68.868 -0.122 0.000 1.021 805 T HN 0.341 nan 8.240 nan 0.000 0.458 806 T N 2.443 116.898 114.554 -0.164 0.000 2.918 806 T HA 0.223 4.575 4.350 0.003 0.000 0.302 806 T C 1.316 175.909 174.700 -0.178 0.000 1.045 806 T CA -0.829 61.181 62.100 -0.149 0.000 1.114 806 T CB 0.743 69.555 68.868 -0.094 0.000 0.965 806 T HN 0.489 nan 8.240 nan 0.000 0.540 807 R N 1.278 121.620 120.500 -0.263 0.000 2.285 807 R HA 0.070 4.411 4.340 0.003 0.000 0.213 807 R C 1.522 177.669 176.300 -0.255 0.000 1.068 807 R CA 0.384 56.185 56.100 -0.498 0.000 1.004 807 R CB -0.805 28.791 30.300 -1.173 0.000 0.873 807 R HN 0.754 nan 8.270 nan 0.000 0.467 808 A N -0.510 122.323 122.820 0.022 0.000 2.507 808 A HA 0.191 4.513 4.320 0.003 0.000 0.270 808 A C 1.508 179.186 177.584 0.156 0.000 1.318 808 A CA -0.262 51.946 52.037 0.285 0.000 0.924 808 A CB -0.094 19.059 19.000 0.255 0.000 1.061 808 A HN 0.151 nan 8.150 nan 0.000 0.516 809 M N -1.037 118.576 119.600 0.022 0.000 2.476 809 M HA 0.016 4.497 4.480 0.003 0.000 0.262 809 M C 1.791 178.084 176.300 -0.012 0.000 1.111 809 M CA 0.781 56.087 55.300 0.010 0.000 1.127 809 M CB 0.018 32.616 32.600 -0.005 0.000 1.376 809 M HN 0.708 nan 8.290 nan 0.000 0.465 810 E N 0.769 120.865 120.200 -0.173 0.000 1.949 810 E HA -0.200 4.152 4.350 0.003 0.000 0.205 810 E C 0.960 177.420 176.600 -0.234 0.000 0.957 810 E CA 2.169 58.363 56.400 -0.344 0.000 0.886 810 E CB -0.292 28.944 29.700 -0.774 0.000 0.824 810 E HN 0.363 nan 8.360 nan 0.000 0.555 811 Y N -0.606 119.604 120.300 -0.151 0.000 2.619 811 Y HA -0.394 4.157 4.550 0.002 0.000 0.205 811 Y C 2.178 177.984 175.900 -0.158 0.000 1.363 811 Y CA 1.474 59.370 58.100 -0.338 0.000 1.003 811 Y CB -1.030 37.056 38.460 -0.624 0.000 0.595 811 Y HN 0.299 nan 8.280 nan 0.000 0.593 812 L N 0.692 121.971 121.223 0.093 0.000 2.478 812 L HA -0.087 4.254 4.340 0.003 0.000 0.223 812 L C 0.809 177.846 176.870 0.278 0.000 1.140 812 L CA 1.364 56.291 54.840 0.144 0.000 0.842 812 L CB -0.600 41.520 42.059 0.101 0.000 0.953 812 L HN 0.422 nan 8.230 nan 0.000 0.452 813 K N -1.394 119.123 120.400 0.195 0.000 3.016 813 K HA -0.277 4.045 4.320 0.003 0.000 0.262 813 K C 0.961 177.650 176.600 0.148 0.000 1.043 813 K CA 0.571 56.954 56.287 0.159 0.000 0.761 813 K CB -2.286 30.340 32.500 0.210 0.000 1.230 813 K HN 0.171 nan 8.250 nan 0.000 0.485 814 F N 1.454 121.418 119.950 0.024 0.000 2.084 814 F HA -0.098 4.430 4.527 0.003 0.000 0.296 814 F C 2.297 178.049 175.800 -0.081 0.000 1.111 814 F CA 1.313 59.303 58.000 -0.017 0.000 1.224 814 F CB 0.006 38.990 39.000 -0.027 0.000 0.991 814 F HN 0.066 nan 8.300 nan 0.000 0.471 815 R N 0.123 120.642 120.500 0.031 0.000 2.204 815 R HA -0.248 4.093 4.340 0.003 0.000 0.253 815 R C 2.001 178.222 176.300 -0.131 0.000 1.172 815 R CA 1.928 57.983 56.100 -0.074 0.000 0.994 815 R CB -0.748 29.518 30.300 -0.056 0.000 0.874 815 R HN 0.477 nan 8.270 nan 0.000 0.462 816 E N -0.481 119.632 120.200 -0.145 0.000 2.340 816 E HA 0.127 4.478 4.350 0.003 0.000 0.198 816 E C -0.073 176.324 176.600 -0.338 0.000 0.961 816 E CA 0.070 56.368 56.400 -0.170 0.000 0.905 816 E CB 0.552 30.224 29.700 -0.048 0.000 0.884 816 E HN 0.076 nan 8.360 nan 0.000 0.491 817 L N 2.468 123.429 121.223 -0.437 0.000 2.457 817 L HA 0.420 4.762 4.340 0.003 0.000 0.252 817 L C -2.497 174.096 176.870 -0.462 0.000 1.132 817 L CA -2.008 52.542 54.840 -0.485 0.000 0.938 817 L CB 1.386 43.017 42.059 -0.713 0.000 1.246 817 L HN -0.072 nan 8.230 nan 0.000 0.476 818 P HA 0.346 nan 4.420 nan 0.000 0.276 818 P C -0.844 176.222 177.300 -0.390 0.000 1.261 818 P CA -0.485 62.183 63.100 -0.721 0.000 0.800 818 P CB 1.174 32.656 31.700 -0.363 0.000 1.066 819 A N 0.923 123.605 122.820 -0.231 0.000 2.457 819 A HA 0.712 5.033 4.320 0.003 0.000 0.283 819 A C 0.075 177.864 177.584 0.341 0.000 1.166 819 A CA 0.044 52.191 52.037 0.184 0.000 0.740 819 A CB 0.011 19.252 19.000 0.402 0.000 1.181 819 A HN 0.855 nan 8.150 nan 0.000 0.446 820 G N 1.445 110.362 108.800 0.196 0.000 2.712 820 G HA2 0.080 4.042 3.960 0.003 0.000 0.683 820 G HA3 0.080 4.042 3.960 0.003 0.000 0.683 820 G C -0.896 173.887 174.900 -0.195 0.000 1.320 820 G CA -0.557 44.589 45.100 0.077 0.000 0.847 820 G HN 1.090 nan 8.290 nan 0.000 0.553 821 Q N -0.131 119.440 119.800 -0.383 0.000 2.353 821 Q HA 0.425 4.767 4.340 0.003 0.000 0.268 821 Q C -0.252 175.629 176.000 -0.199 0.000 1.045 821 Q CA -1.096 54.501 55.803 -0.344 0.000 0.811 821 Q CB 1.751 30.088 28.738 -0.668 0.000 1.305 821 Q HN 0.487 nan 8.270 nan 0.000 0.447 822 N N 1.722 120.439 118.700 0.028 0.000 2.410 822 N HA 0.106 4.848 4.740 0.003 0.000 0.281 822 N C -1.086 174.448 175.510 0.039 0.000 1.241 822 N CA 0.200 53.316 53.050 0.110 0.000 0.998 822 N CB 0.494 39.069 38.487 0.147 0.000 1.376 822 N HN 0.574 nan 8.380 nan 0.000 0.490 823 A N 3.636 126.513 122.820 0.095 0.000 2.309 823 A HA 0.379 4.700 4.320 0.003 0.000 0.298 823 A C 0.572 178.181 177.584 0.042 0.000 1.165 823 A CA -0.649 51.451 52.037 0.106 0.000 0.821 823 A CB 0.672 19.831 19.000 0.266 0.000 1.102 823 A HN 0.497 nan 8.150 nan 0.000 0.500 824 I N 3.412 123.961 120.570 -0.035 0.000 2.494 824 I HA 0.071 4.242 4.170 0.003 0.000 0.289 824 I C 0.245 176.284 176.117 -0.130 0.000 1.106 824 I CA 0.545 61.742 61.300 -0.171 0.000 1.369 824 I CB 0.196 38.050 38.000 -0.243 0.000 1.410 824 I HN 0.317 nan 8.210 nan 0.000 0.523 825 V N 6.827 126.660 119.914 -0.136 0.000 2.612 825 V HA 0.795 4.916 4.120 0.003 0.000 0.301 825 V C 0.089 176.169 176.094 -0.022 0.000 1.046 825 V CA -0.463 61.847 62.300 0.015 0.000 0.946 825 V CB 1.959 33.909 31.823 0.213 0.000 1.003 825 V HN 0.862 nan 8.190 nan 0.000 0.459 826 A N 6.504 129.412 122.820 0.146 0.000 2.343 826 A HA 0.739 5.061 4.320 0.003 0.000 0.308 826 A C -0.722 176.994 177.584 0.220 0.000 1.092 826 A CA -0.592 51.603 52.037 0.264 0.000 0.751 826 A CB 0.932 20.148 19.000 0.361 0.000 1.203 826 A HN 0.731 nan 8.150 nan 0.000 0.452 827 I N 2.561 123.284 120.570 0.256 0.000 2.276 827 I HA 0.509 4.681 4.170 0.003 0.000 0.290 827 I C 0.431 176.682 176.117 0.223 0.000 1.109 827 I CA 0.173 61.625 61.300 0.253 0.000 1.229 827 I CB 0.394 38.584 38.000 0.316 0.000 1.452 827 I HN 0.697 nan 8.210 nan 0.000 0.497 828 A N 4.786 127.721 122.820 0.193 0.000 2.572 828 A HA 0.551 4.872 4.320 0.003 0.000 0.295 828 A C -1.141 176.570 177.584 0.210 0.000 1.072 828 A CA -0.415 51.737 52.037 0.193 0.000 0.691 828 A CB 1.607 20.714 19.000 0.179 0.000 1.291 828 A HN 0.609 nan 8.150 nan 0.000 0.404 829 C N 2.311 121.739 119.300 0.213 0.000 2.158 829 C HA 0.487 4.949 4.460 0.003 0.000 0.350 829 C C 0.552 175.699 174.990 0.262 0.000 1.064 829 C CA -0.084 59.062 59.018 0.213 0.000 1.507 829 C CB -2.241 25.604 27.740 0.175 0.000 1.934 829 C HN 0.799 nan 8.230 nan 0.000 0.479 830 Y N 2.568 122.950 120.300 0.135 0.000 3.261 830 Y HA 0.116 4.668 4.550 0.002 0.000 0.402 830 Y C 2.435 178.443 175.900 0.180 0.000 1.018 830 Y CA 1.314 59.514 58.100 0.166 0.000 1.583 830 Y CB -0.445 38.146 38.460 0.219 0.000 1.391 830 Y HN 0.528 nan 8.280 nan 0.000 0.689 831 S N -0.337 115.518 115.700 0.258 0.000 2.402 831 S HA -0.043 4.428 4.470 0.003 0.000 0.233 831 S C 1.594 176.230 174.600 0.061 0.000 1.030 831 S CA 1.431 59.748 58.200 0.195 0.000 1.003 831 S CB -0.964 62.631 63.200 0.658 0.000 0.813 831 S HN 1.423 nan 8.310 nan 0.000 0.477 832 G N -0.627 108.220 108.800 0.078 0.000 2.154 832 G HA2 -0.214 3.747 3.960 0.003 0.000 0.186 832 G HA3 -0.214 3.747 3.960 0.003 0.000 0.186 832 G C 0.132 174.920 174.900 -0.185 0.000 1.000 832 G CA 0.088 45.141 45.100 -0.079 0.000 0.664 832 G HN 0.549 nan 8.290 nan 0.000 0.513 833 Y N 1.415 121.752 120.300 0.062 0.000 2.495 833 Y HA 0.236 4.788 4.550 0.003 0.000 0.293 833 Y C 1.753 177.646 175.900 -0.012 0.000 1.186 833 Y CA 0.507 58.611 58.100 0.007 0.000 1.266 833 Y CB 0.284 38.722 38.460 -0.036 0.000 1.101 833 Y HN 0.478 nan 8.280 nan 0.000 0.517 834 N N -1.247 117.518 118.700 0.108 0.000 2.194 834 N HA 0.046 4.787 4.740 0.003 0.000 0.231 834 N C -0.334 175.202 175.510 0.044 0.000 1.247 834 N CA -0.098 52.997 53.050 0.075 0.000 0.884 834 N CB 0.051 38.600 38.487 0.104 0.000 1.146 834 N HN 0.292 nan 8.380 nan 0.000 0.516 835 Q N 1.031 120.836 119.800 0.008 0.000 2.340 835 Q HA 0.167 4.509 4.340 0.003 0.000 0.249 835 Q C -0.383 175.600 176.000 -0.029 0.000 0.957 835 Q CA -0.182 55.603 55.803 -0.029 0.000 0.882 835 Q CB 0.716 29.406 28.738 -0.081 0.000 1.235 835 Q HN 0.128 nan 8.270 nan 0.000 0.439 836 E N 2.481 122.660 120.200 -0.036 0.000 2.246 836 E HA -0.233 4.119 4.350 0.003 0.000 0.211 836 E C -1.105 175.484 176.600 -0.019 0.000 1.278 836 E CA 0.600 56.982 56.400 -0.031 0.000 0.694 836 E CB -1.253 28.420 29.700 -0.045 0.000 1.166 836 E HN 0.797 nan 8.360 nan 0.000 0.370 837 D N -1.120 119.276 120.400 -0.006 0.000 2.716 837 D HA -0.146 4.495 4.640 0.003 0.000 0.239 837 D C -0.292 176.002 176.300 -0.010 0.000 1.125 837 D CA 1.532 55.527 54.000 -0.009 0.000 0.681 837 D CB -1.067 39.718 40.800 -0.025 0.000 1.070 837 D HN 0.260 nan 8.370 nan 0.000 0.432 838 S N -0.907 114.791 115.700 -0.003 0.000 2.806 838 S HA 0.921 5.392 4.470 0.003 0.000 0.315 838 S C 0.128 174.717 174.600 -0.018 0.000 1.127 838 S CA -0.707 57.488 58.200 -0.009 0.000 0.918 838 S CB 2.034 65.239 63.200 0.007 0.000 1.240 838 S HN 0.357 nan 8.310 nan 0.000 0.552 839 M N 0.290 119.862 119.600 -0.045 0.000 2.732 839 M HA 0.576 5.058 4.480 0.003 0.000 0.272 839 M C -2.151 174.087 176.300 -0.103 0.000 1.203 839 M CA -0.661 54.599 55.300 -0.068 0.000 0.841 839 M CB 1.195 33.715 32.600 -0.133 0.000 1.685 839 M HN 0.409 nan 8.290 nan 0.000 0.492 840 I N 2.166 122.681 120.570 -0.092 0.000 2.354 840 I HA 0.513 4.684 4.170 0.003 0.000 0.292 840 I C -0.765 175.259 176.117 -0.154 0.000 0.989 840 I CA -0.482 60.729 61.300 -0.148 0.000 1.188 840 I CB 1.964 39.911 38.000 -0.089 0.000 1.342 840 I HN 0.726 nan 8.210 nan 0.000 0.457 841 M N 6.240 125.724 119.600 -0.195 0.000 2.114 841 M HA 0.348 4.830 4.480 0.003 0.000 0.332 841 M C -0.309 175.936 176.300 -0.093 0.000 1.014 841 M CA -0.735 54.463 55.300 -0.170 0.000 0.956 841 M CB 0.986 33.433 32.600 -0.256 0.000 1.551 841 M HN 0.509 nan 8.290 nan 0.000 0.427 842 N N 3.529 122.208 118.700 -0.035 0.000 2.332 842 N HA -0.135 4.607 4.740 0.003 0.000 0.274 842 N C 0.506 176.016 175.510 0.001 0.000 1.351 842 N CA 0.681 53.738 53.050 0.012 0.000 0.875 842 N CB 0.862 39.365 38.487 0.027 0.000 1.140 842 N HN 0.764 nan 8.380 nan 0.000 0.489 843 Q N 2.901 122.709 119.800 0.015 0.000 2.084 843 Q HA -0.097 4.245 4.340 0.003 0.000 0.202 843 Q C 1.402 177.409 176.000 0.012 0.000 0.978 843 Q CA 1.870 57.679 55.803 0.009 0.000 0.844 843 Q CB -0.251 28.501 28.738 0.022 0.000 0.898 843 Q HN 0.692 nan 8.270 nan 0.000 0.426 844 S N 0.110 115.820 115.700 0.017 0.000 2.359 844 S HA -0.223 4.248 4.470 0.003 0.000 0.223 844 S C 1.986 176.588 174.600 0.004 0.000 1.039 844 S CA 1.561 59.766 58.200 0.009 0.000 1.042 844 S CB -0.668 62.536 63.200 0.008 0.000 0.915 844 S HN 0.729 nan 8.310 nan 0.000 0.439 845 S N 1.809 117.512 115.700 0.005 0.000 2.383 845 S HA -0.047 4.424 4.470 0.003 0.000 0.229 845 S C 1.794 176.394 174.600 0.001 0.000 1.030 845 S CA 1.038 59.237 58.200 -0.002 0.000 1.002 845 S CB -0.818 62.385 63.200 0.005 0.000 0.829 845 S HN 0.460 nan 8.310 nan 0.000 0.467 846 I N 2.466 123.042 120.570 0.009 0.000 2.194 846 I HA -0.228 3.944 4.170 0.003 0.000 0.246 846 I C 1.942 178.071 176.117 0.020 0.000 1.093 846 I CA 1.804 63.116 61.300 0.020 0.000 1.355 846 I CB -0.493 37.514 38.000 0.012 0.000 1.046 846 I HN 0.257 nan 8.210 nan 0.000 0.413 847 D N 0.425 120.834 120.400 0.014 0.000 2.183 847 D HA -0.103 4.538 4.640 0.003 0.000 0.203 847 D C 2.153 178.464 176.300 0.018 0.000 0.969 847 D CA 0.928 54.940 54.000 0.020 0.000 0.842 847 D CB -0.220 40.589 40.800 0.014 0.000 0.957 847 D HN 0.271 nan 8.370 nan 0.000 0.484 848 R N -0.482 120.015 120.500 -0.005 0.000 2.316 848 R HA 0.159 4.501 4.340 0.003 0.000 0.202 848 R C 1.184 177.449 176.300 -0.059 0.000 1.029 848 R CA 0.797 56.878 56.100 -0.031 0.000 1.018 848 R CB 0.289 30.558 30.300 -0.052 0.000 0.888 848 R HN 0.256 nan 8.270 nan 0.000 0.471 849 G N 0.313 109.103 108.800 -0.017 0.000 2.318 849 G HA2 -0.197 3.765 3.960 0.003 0.000 0.172 849 G HA3 -0.197 3.765 3.960 0.003 0.000 0.172 849 G C -0.052 174.847 174.900 -0.001 0.000 1.002 849 G CA -0.667 44.443 45.100 0.018 0.000 0.697 849 G HN 0.167 nan 8.290 nan 0.000 0.483 850 L N 1.666 122.865 121.223 -0.040 0.000 2.559 850 L HA 0.486 4.827 4.340 0.003 0.000 0.282 850 L C 0.951 177.864 176.870 0.072 0.000 1.232 850 L CA 0.290 55.100 54.840 -0.049 0.000 0.885 850 L CB -0.244 41.826 42.059 0.018 0.000 1.131 850 L HN 0.378 nan 8.230 nan 0.000 0.498 851 F N 3.614 123.594 119.950 0.050 0.000 2.437 851 F HA -0.293 4.235 4.527 0.002 0.000 0.165 851 F C 0.837 176.647 175.800 0.017 0.000 1.054 851 F CA 0.802 58.850 58.000 0.081 0.000 0.808 851 F CB -1.125 37.983 39.000 0.179 0.000 0.669 851 F HN 0.511 nan 8.300 nan 0.000 0.827 852 R N 0.590 121.107 120.500 0.029 0.000 2.598 852 R HA 0.795 5.137 4.340 0.003 0.000 0.279 852 R C -0.052 175.997 176.300 -0.418 0.000 0.984 852 R CA -0.391 55.542 56.100 -0.278 0.000 0.999 852 R CB 2.019 32.004 30.300 -0.526 0.000 1.114 852 R HN 0.344 nan 8.270 nan 0.000 0.493 853 S N 1.135 116.521 115.700 -0.523 0.000 2.537 853 S HA 0.437 4.909 4.470 0.003 0.000 0.270 853 S C -0.746 173.743 174.600 -0.185 0.000 1.142 853 S CA -1.026 57.018 58.200 -0.259 0.000 0.870 853 S CB 1.063 64.228 63.200 -0.059 0.000 1.112 853 S HN 0.348 nan 8.310 nan 0.000 0.466 854 L N 2.362 123.600 121.223 0.026 0.000 2.395 854 L HA 0.640 4.981 4.340 0.003 0.000 0.269 854 L C -0.645 176.195 176.870 -0.050 0.000 1.133 854 L CA -0.574 54.256 54.840 -0.016 0.000 0.812 854 L CB 0.660 42.732 42.059 0.022 0.000 1.125 854 L HN 0.780 nan 8.230 nan 0.000 0.452 855 F N 2.814 122.543 119.950 -0.368 0.000 2.562 855 F HA 0.574 5.102 4.527 0.001 0.000 0.319 855 F C -1.416 174.158 175.800 -0.377 0.000 1.154 855 F CA -0.683 57.163 58.000 -0.257 0.000 0.931 855 F CB 1.086 40.006 39.000 -0.133 0.000 1.198 855 F HN 0.085 nan 8.300 nan 0.000 0.444 856 F N 5.560 125.049 119.950 -0.768 0.000 2.495 856 F HA 0.677 5.206 4.527 0.003 0.000 0.327 856 F C -0.066 175.270 175.800 -0.773 0.000 1.103 856 F CA -0.706 56.964 58.000 -0.551 0.000 0.949 856 F CB 2.016 40.881 39.000 -0.224 0.000 1.142 856 F HN 0.458 nan 8.300 nan 0.000 0.457 857 R N 0.779 121.098 120.500 -0.302 0.000 2.744 857 R HA 0.747 5.088 4.340 0.003 0.000 0.279 857 R C -1.474 174.727 176.300 -0.165 0.000 0.977 857 R CA -0.613 55.314 56.100 -0.288 0.000 0.906 857 R CB 2.011 32.167 30.300 -0.239 0.000 1.197 857 R HN 0.731 nan 8.270 nan 0.000 0.463 858 S N 1.934 117.470 115.700 -0.272 0.000 2.500 858 S HA 0.512 4.984 4.470 0.003 0.000 0.301 858 S C -1.533 172.882 174.600 -0.308 0.000 1.092 858 S CA -0.609 57.494 58.200 -0.163 0.000 1.030 858 S CB 1.062 64.217 63.200 -0.076 0.000 1.031 858 S HN 0.408 nan 8.310 nan 0.000 0.483 859 Y N 1.487 121.787 120.300 0.000 0.000 2.468 859 Y HA 0.684 5.237 4.550 0.005 0.000 0.342 859 Y C 0.052 175.934 175.900 -0.030 0.000 1.021 859 Y CA -0.842 57.258 58.100 -0.000 0.000 1.079 859 Y CB 1.738 40.206 38.460 0.013 0.000 1.226 859 Y HN 0.502 nan 8.280 nan 0.000 0.460 860 M N 2.259 121.932 119.600 0.123 0.000 2.550 860 M HA 0.481 4.962 4.480 0.003 0.000 0.292 860 M C -2.231 174.090 176.300 0.035 0.000 1.221 860 M CA -0.403 54.898 55.300 0.001 0.000 0.873 860 M CB 2.315 34.913 32.600 -0.002 0.000 1.727 860 M HN 0.720 nan 8.290 nan 0.000 0.459 861 D N 1.835 122.224 120.400 -0.019 0.000 2.717 861 D HA 0.406 5.048 4.640 0.003 0.000 0.223 861 D C -1.701 174.711 176.300 0.186 0.000 1.240 861 D CA -0.203 53.860 54.000 0.105 0.000 0.801 861 D CB 2.580 43.485 40.800 0.176 0.000 1.556 861 D HN 0.672 nan 8.370 nan 0.000 0.462 862 Q N 0.292 120.238 119.800 0.244 0.000 3.022 862 Q HA 0.562 4.904 4.340 0.003 0.000 0.313 862 Q C -0.941 175.211 176.000 0.253 0.000 1.018 862 Q CA -0.803 55.191 55.803 0.318 0.000 0.799 862 Q CB 2.498 31.411 28.738 0.293 0.000 1.498 862 Q HN 0.237 nan 8.270 nan 0.000 0.494 863 E N 1.260 121.594 120.200 0.223 0.000 2.275 863 E HA 0.279 4.630 4.350 0.003 0.000 0.270 863 E C -1.391 175.275 176.600 0.110 0.000 0.882 863 E CA -0.566 55.931 56.400 0.161 0.000 0.758 863 E CB 2.405 32.230 29.700 0.208 0.000 1.195 863 E HN 0.632 nan 8.360 nan 0.000 0.419 864 K N 1.836 122.281 120.400 0.074 0.000 1.662 864 K HA -0.281 4.040 4.320 0.003 0.000 0.637 864 K C -1.234 175.400 176.600 0.058 0.000 1.779 864 K CA 1.002 57.322 56.287 0.057 0.000 1.097 864 K CB -0.290 32.240 32.500 0.051 0.000 1.876 864 K HN 0.496 nan 8.250 nan 0.000 0.629 870 I N 3.161 123.743 120.570 0.021 0.000 2.390 870 I HA 0.572 4.744 4.170 0.003 0.000 0.283 870 I C -0.622 175.510 176.117 0.025 0.000 1.016 870 I CA 0.216 61.529 61.300 0.020 0.000 1.151 870 I CB 1.760 39.770 38.000 0.018 0.000 1.293 870 I HN 0.110 nan 8.210 nan 0.000 0.458 871 T N 4.200 118.771 114.554 0.027 0.000 2.841 871 T HA 0.433 4.784 4.350 0.003 0.000 0.283 871 T C -0.192 174.527 174.700 0.032 0.000 1.000 871 T CA -0.911 61.210 62.100 0.036 0.000 0.977 871 T CB 1.511 70.406 68.868 0.045 0.000 0.979 871 T HN 0.393 nan 8.240 nan 0.000 0.446 872 E N 1.397 121.618 120.200 0.035 0.000 2.392 872 E HA 0.445 4.797 4.350 0.003 0.000 0.259 872 E C -0.243 176.378 176.600 0.034 0.000 1.108 872 E CA -0.326 56.081 56.400 0.012 0.000 0.916 872 E CB 0.631 30.327 29.700 -0.006 0.000 0.989 872 E HN 0.533 nan 8.360 nan 0.000 0.432 873 T N 1.083 115.632 114.554 -0.009 0.000 2.900 873 T HA 0.411 4.763 4.350 0.003 0.000 0.295 873 T C -0.900 173.782 174.700 -0.029 0.000 1.044 873 T CA -0.712 61.415 62.100 0.045 0.000 0.995 873 T CB 0.588 69.479 68.868 0.038 0.000 1.072 873 T HN 0.188 nan 8.240 nan 0.000 0.473 874 F N 2.830 122.786 119.950 0.010 0.000 2.391 874 F HA 0.500 5.027 4.527 0.002 0.000 0.359 874 F C 0.805 176.604 175.800 -0.001 0.000 1.122 874 F CA -0.320 57.684 58.000 0.007 0.000 1.120 874 F CB 0.825 39.832 39.000 0.012 0.000 1.142 874 F HN 0.662 nan 8.300 nan 0.000 0.483 875 E N 1.681 121.937 120.200 0.093 0.000 2.388 875 E HA 0.197 4.549 4.350 0.003 0.000 0.281 875 E C -1.587 175.013 176.600 -0.000 0.000 1.046 875 E CA -1.328 55.103 56.400 0.052 0.000 0.825 875 E CB 1.274 30.985 29.700 0.018 0.000 1.243 875 E HN 0.379 nan 8.360 nan 0.000 0.438 876 K N 2.600 123.001 120.400 0.002 0.000 2.382 876 K HA 0.175 4.496 4.320 0.003 0.000 0.286 876 K C -2.097 174.430 176.600 -0.122 0.000 1.062 876 K CA -1.106 55.158 56.287 -0.037 0.000 1.000 876 K CB 0.026 32.526 32.500 -0.001 0.000 0.954 876 K HN 0.265 nan 8.250 nan 0.000 0.470 877 P HA 0.071 nan 4.420 nan 0.000 0.272 877 P C -0.758 176.374 177.300 -0.280 0.000 1.240 877 P CA -0.323 62.591 63.100 -0.309 0.000 0.791 877 P CB 0.767 32.162 31.700 -0.508 0.000 0.978 878 Q N -0.483 119.196 119.800 -0.201 0.000 2.893 878 Q HA 0.256 4.597 4.340 0.003 0.000 0.331 878 Q C 1.243 177.178 176.000 -0.108 0.000 0.893 878 Q CA -0.875 54.843 55.803 -0.141 0.000 0.783 878 Q CB 1.248 29.934 28.738 -0.087 0.000 1.440 878 Q HN 0.249 nan 8.270 nan 0.000 0.508 879 R N 0.222 120.681 120.500 -0.068 0.000 2.089 879 R HA -0.045 4.297 4.340 0.003 0.000 0.222 879 R C 0.787 177.064 176.300 -0.040 0.000 1.151 879 R CA 2.140 58.213 56.100 -0.045 0.000 0.908 879 R CB -1.552 28.732 30.300 -0.028 0.000 0.813 879 R HN 1.080 nan 8.270 nan 0.000 0.440 880 T N -1.195 113.340 114.554 -0.032 0.000 4.595 880 T HA -0.185 4.166 4.350 0.003 0.000 0.311 880 T C -0.040 174.648 174.700 -0.021 0.000 1.052 880 T CA 0.769 62.852 62.100 -0.028 0.000 2.205 880 T CB -2.366 66.479 68.868 -0.038 0.000 1.872 880 T HN 0.582 nan 8.240 nan 0.000 0.961 881 N N -1.833 116.858 118.700 -0.016 0.000 2.800 881 N HA -0.191 4.550 4.740 0.003 0.000 0.250 881 N C 0.813 176.316 175.510 -0.012 0.000 1.078 881 N CA 1.592 54.636 53.050 -0.011 0.000 0.804 881 N CB -1.751 36.731 38.487 -0.008 0.000 1.135 881 N HN 0.851 nan 8.380 nan 0.000 0.565 882 T N 0.024 114.568 114.554 -0.017 0.000 2.939 882 T HA 0.172 4.523 4.350 0.003 0.000 0.254 882 T C 1.334 176.030 174.700 -0.008 0.000 1.041 882 T CA 0.667 62.757 62.100 -0.017 0.000 1.142 882 T CB -0.027 68.823 68.868 -0.031 0.000 0.874 882 T HN 0.371 nan 8.240 nan 0.000 0.452 883 L N 1.281 122.500 121.223 -0.006 0.000 4.356 883 L HA -0.208 4.133 4.340 0.003 0.000 0.506 883 L C 0.217 177.094 176.870 0.012 0.000 1.022 883 L CA 0.664 55.506 54.840 0.003 0.000 0.782 883 L CB -1.175 40.887 42.059 0.004 0.000 1.782 883 L HN 0.317 nan 8.230 nan 0.000 0.853 884 R N -0.244 120.264 120.500 0.014 0.000 2.640 884 R HA 0.401 4.743 4.340 0.003 0.000 0.240 884 R C -0.420 175.904 176.300 0.039 0.000 1.519 884 R CA -0.268 55.847 56.100 0.026 0.000 1.570 884 R CB 0.701 31.013 30.300 0.019 0.000 1.446 884 R HN 0.226 nan 8.270 nan 0.000 0.738 885 M N 0.572 120.208 119.600 0.059 0.000 2.613 885 M HA 0.417 4.898 4.480 0.003 0.000 0.301 885 M C 0.438 176.835 176.300 0.161 0.000 1.205 885 M CA -0.629 54.740 55.300 0.116 0.000 0.950 885 M CB 0.999 33.671 32.600 0.120 0.000 1.585 885 M HN -0.204 nan 8.290 nan 0.000 0.490 886 K N 0.029 120.575 120.400 0.243 0.000 2.132 886 K HA 0.041 4.362 4.320 0.003 0.000 0.240 886 K C 0.756 177.410 176.600 0.090 0.000 1.036 886 K CA 0.090 56.459 56.287 0.137 0.000 0.888 886 K CB 0.244 32.783 32.500 0.065 0.000 1.071 886 K HN 0.645 nan 8.250 nan 0.000 0.502 887 H N -0.117 118.929 119.070 -0.039 0.000 2.317 887 H HA 0.048 4.606 4.556 0.003 0.000 0.304 887 H C 1.155 176.427 175.328 -0.093 0.000 1.067 887 H CA 1.794 57.816 56.048 -0.043 0.000 1.352 887 H CB -0.338 29.404 29.762 -0.033 0.000 1.398 887 H HN 0.750 nan 8.280 nan 0.000 0.510 888 G N -0.533 108.227 108.800 -0.066 0.000 2.527 888 G HA2 0.151 4.112 3.960 0.003 0.000 0.279 888 G HA3 0.151 4.112 3.960 0.003 0.000 0.279 888 G C -0.427 174.305 174.900 -0.280 0.000 1.374 888 G CA 0.140 45.148 45.100 -0.153 0.000 1.053 888 G HN 0.490 nan 8.290 nan 0.000 0.539 889 T N -2.608 111.813 114.554 -0.222 0.000 2.806 889 T HA 0.335 4.686 4.350 0.003 0.000 0.290 889 T C 0.242 174.803 174.700 -0.233 0.000 0.966 889 T CA -0.503 61.496 62.100 -0.168 0.000 1.060 889 T CB 1.196 70.026 68.868 -0.063 0.000 0.927 889 T HN 0.362 nan 8.240 nan 0.000 0.485 890 Y N 0.452 120.740 120.300 -0.020 0.000 2.529 890 Y HA 0.104 4.655 4.550 0.001 0.000 0.290 890 Y C 2.013 177.907 175.900 -0.012 0.000 1.177 890 Y CA -0.204 57.886 58.100 -0.017 0.000 1.305 890 Y CB -0.224 38.226 38.460 -0.017 0.000 1.047 890 Y HN 0.705 nan 8.280 nan 0.000 0.522 891 D N 0.440 120.899 120.400 0.099 0.000 2.354 891 D HA -0.150 4.491 4.640 0.003 0.000 0.216 891 D C 1.312 177.638 176.300 0.044 0.000 0.970 891 D CA 1.034 55.072 54.000 0.064 0.000 0.905 891 D CB 0.078 40.900 40.800 0.036 0.000 0.903 891 D HN 0.431 nan 8.370 nan 0.000 0.508 892 K N -0.039 120.382 120.400 0.035 0.000 2.393 892 K HA 0.129 4.450 4.320 0.003 0.000 0.193 892 K C 0.492 177.114 176.600 0.037 0.000 1.026 892 K CA -0.017 56.285 56.287 0.024 0.000 1.064 892 K CB 0.476 32.978 32.500 0.004 0.000 0.833 892 K HN 0.051 nan 8.250 nan 0.000 0.521 893 L N 1.315 122.574 121.223 0.061 0.000 2.326 893 L HA 0.119 4.460 4.340 0.003 0.000 0.278 893 L C 0.560 177.464 176.870 0.056 0.000 1.092 893 L CA -0.654 54.227 54.840 0.068 0.000 0.810 893 L CB 0.855 42.977 42.059 0.104 0.000 1.153 893 L HN -0.025 nan 8.230 nan 0.000 0.439 894 D N 1.036 121.464 120.400 0.047 0.000 2.041 894 D HA -0.047 4.595 4.640 0.003 0.000 0.263 894 D C 0.630 176.951 176.300 0.036 0.000 1.038 894 D CA 0.979 55.001 54.000 0.036 0.000 0.903 894 D CB 0.289 41.107 40.800 0.029 0.000 1.013 894 D HN 0.572 nan 8.370 nan 0.000 0.408 895 D N -1.364 119.058 120.400 0.037 0.000 2.399 895 D HA -0.016 4.625 4.640 0.003 0.000 0.269 895 D C 0.728 177.058 176.300 0.050 0.000 1.105 895 D CA 0.194 54.215 54.000 0.035 0.000 0.844 895 D CB 0.259 41.074 40.800 0.025 0.000 1.372 895 D HN 0.169 nan 8.370 nan 0.000 0.517 896 D N 0.109 120.542 120.400 0.056 0.000 2.355 896 D HA 0.156 4.797 4.640 0.003 0.000 0.218 896 D C 1.544 177.938 176.300 0.157 0.000 1.004 896 D CA 0.884 54.930 54.000 0.077 0.000 0.880 896 D CB -0.111 40.706 40.800 0.029 0.000 0.911 896 D HN 0.186 nan 8.370 nan 0.000 0.528 897 G N -0.312 108.568 108.800 0.133 0.000 2.132 897 G HA2 -0.207 3.754 3.960 0.003 0.000 0.234 897 G HA3 -0.207 3.754 3.960 0.003 0.000 0.234 897 G C -0.147 174.859 174.900 0.176 0.000 0.989 897 G CA 0.304 45.499 45.100 0.159 0.000 0.676 897 G HN 0.407 nan 8.290 nan 0.000 0.522 898 L N -0.200 121.100 121.223 0.127 0.000 2.323 898 L HA 0.744 5.086 4.340 0.003 0.000 0.265 898 L C 0.875 177.780 176.870 0.059 0.000 1.012 898 L CA -1.668 53.229 54.840 0.096 0.000 0.820 898 L CB 1.508 43.608 42.059 0.068 0.000 1.334 898 L HN 0.011 nan 8.230 nan 0.000 0.427 899 I N 0.898 121.492 120.570 0.041 0.000 2.662 899 I HA 0.423 4.594 4.170 0.003 0.000 0.291 899 I C 0.636 176.769 176.117 0.026 0.000 1.046 899 I CA -0.295 61.022 61.300 0.028 0.000 1.361 899 I CB 1.057 39.065 38.000 0.014 0.000 1.429 899 I HN 0.664 nan 8.210 nan 0.000 0.558 900 A N 5.931 128.765 122.820 0.024 0.000 2.322 900 A HA 0.448 4.770 4.320 0.003 0.000 0.269 900 A C -1.736 175.863 177.584 0.025 0.000 1.094 900 A CA -1.290 50.761 52.037 0.022 0.000 0.807 900 A CB 0.012 19.024 19.000 0.020 0.000 1.047 900 A HN 0.585 nan 8.150 nan 0.000 0.487 901 P HA -0.087 nan 4.420 nan 0.000 0.217 901 P C 1.577 178.897 177.300 0.034 0.000 1.150 901 P CA 1.819 64.939 63.100 0.035 0.000 0.832 901 P CB 0.126 31.846 31.700 0.034 0.000 0.787 902 G N -0.375 108.442 108.800 0.027 0.000 2.471 902 G HA2 -0.097 3.865 3.960 0.003 0.000 0.219 902 G HA3 -0.097 3.865 3.960 0.003 0.000 0.219 902 G C 0.661 175.576 174.900 0.025 0.000 1.125 902 G CA 0.212 45.327 45.100 0.026 0.000 0.775 902 G HN 0.165 nan 8.290 nan 0.000 0.548 903 V N -0.489 119.439 119.914 0.023 0.000 3.566 903 V HA 0.255 4.377 4.120 0.003 0.000 0.301 903 V C 0.675 176.781 176.094 0.021 0.000 1.105 903 V CA -0.220 62.091 62.300 0.019 0.000 1.142 903 V CB 0.801 32.634 31.823 0.016 0.000 1.107 903 V HN 0.276 nan 8.190 nan 0.000 0.481 904 R N 0.224 120.733 120.500 0.016 0.000 2.513 904 R HA 0.645 4.987 4.340 0.003 0.000 0.301 904 R C -1.212 175.094 176.300 0.009 0.000 0.968 904 R CA -0.474 55.636 56.100 0.017 0.000 0.872 904 R CB 1.846 32.155 30.300 0.016 0.000 1.177 904 R HN 0.727 nan 8.270 nan 0.000 0.444 905 V N 0.709 120.629 119.914 0.011 0.000 2.667 905 V HA 0.887 5.008 4.120 0.003 0.000 0.308 905 V C -0.721 175.376 176.094 0.006 0.000 1.048 905 V CA -0.585 61.714 62.300 -0.001 0.000 0.928 905 V CB 1.875 33.690 31.823 -0.014 0.000 1.004 905 V HN 0.861 nan 8.190 nan 0.000 0.444 906 S N 1.514 117.212 115.700 -0.004 0.000 2.543 906 S HA 0.860 5.331 4.470 0.003 0.000 0.273 906 S C 0.246 174.843 174.600 -0.005 0.000 1.152 906 S CA 0.093 58.295 58.200 0.003 0.000 0.910 906 S CB 0.905 64.109 63.200 0.006 0.000 1.105 906 S HN 2.714 nan 8.310 nan 0.000 0.465 907 G N 2.613 111.415 108.800 0.003 0.000 2.550 907 G HA2 -0.256 3.706 3.960 0.003 0.000 0.277 907 G HA3 -0.256 3.706 3.960 0.003 0.000 0.277 907 G C 0.113 175.005 174.900 -0.013 0.000 1.190 907 G CA 0.379 45.480 45.100 0.001 0.000 0.971 907 G HN 0.837 nan 8.290 nan 0.000 0.559 908 E N 2.249 122.439 120.200 -0.016 0.000 2.365 908 E HA 0.121 4.473 4.350 0.003 0.000 0.188 908 E C 0.034 176.583 176.600 -0.086 0.000 1.102 908 E CA 0.126 56.506 56.400 -0.034 0.000 0.927 908 E CB -0.244 29.457 29.700 0.002 0.000 1.073 908 E HN 0.446 nan 8.360 nan 0.000 0.467 909 D N 1.172 121.519 120.400 -0.088 0.000 2.458 909 D HA -0.002 4.639 4.640 0.003 0.000 0.243 909 D C 0.379 176.581 176.300 -0.163 0.000 1.146 909 D CA 0.164 54.090 54.000 -0.122 0.000 0.877 909 D CB 1.315 42.067 40.800 -0.081 0.000 1.176 909 D HN -0.178 nan 8.370 nan 0.000 0.461 910 V N 3.586 123.367 119.914 -0.223 0.000 2.637 910 V HA 0.073 4.194 4.120 0.003 0.000 0.296 910 V C 1.652 177.677 176.094 -0.114 0.000 1.046 910 V CA -0.112 62.068 62.300 -0.200 0.000 1.066 910 V CB 1.152 32.801 31.823 -0.290 0.000 0.968 910 V HN 0.491 nan 8.190 nan 0.000 0.483 911 I N 3.015 123.508 120.570 -0.128 0.000 3.300 911 I HA 0.270 4.441 4.170 0.003 0.000 0.279 911 I C 0.398 176.498 176.117 -0.028 0.000 1.172 911 I CA 0.788 62.012 61.300 -0.126 0.000 1.431 911 I CB 0.551 38.367 38.000 -0.306 0.000 1.240 911 I HN 0.434 nan 8.210 nan 0.000 0.453 912 I N 1.383 121.951 120.570 -0.004 0.000 2.420 912 I HA 0.296 4.468 4.170 0.003 0.000 0.282 912 I C 0.078 176.225 176.117 0.049 0.000 1.019 912 I CA -0.432 60.910 61.300 0.068 0.000 1.130 912 I CB 1.557 39.614 38.000 0.096 0.000 1.262 912 I HN -0.032 nan 8.210 nan 0.000 0.454 913 G N 5.684 114.531 108.800 0.080 0.000 2.353 913 G HA2 0.476 4.438 3.960 0.003 0.000 0.284 913 G HA3 0.476 4.438 3.960 0.003 0.000 0.284 913 G C -0.686 174.140 174.900 -0.124 0.000 1.172 913 G CA -0.252 44.871 45.100 0.040 0.000 0.854 913 G HN 0.594 nan 8.290 nan 0.000 0.485 914 K N 1.364 121.641 120.400 -0.203 0.000 2.587 914 K HA 0.380 4.702 4.320 0.003 0.000 0.256 914 K C -0.804 175.661 176.600 -0.226 0.000 0.974 914 K CA -0.594 55.462 56.287 -0.385 0.000 0.855 914 K CB 1.466 33.592 32.500 -0.624 0.000 1.292 914 K HN 0.640 nan 8.250 nan 0.000 0.444 915 T N -0.199 114.246 114.554 -0.182 0.000 2.918 915 T HA 0.430 4.782 4.350 0.003 0.000 0.286 915 T C -0.284 174.364 174.700 -0.087 0.000 1.026 915 T CA -0.721 61.309 62.100 -0.116 0.000 1.031 915 T CB 1.764 70.575 68.868 -0.095 0.000 1.046 915 T HN 0.435 nan 8.240 nan 0.000 0.479 916 T N 2.733 117.252 114.554 -0.059 0.000 2.934 916 T HA 0.452 4.803 4.350 0.003 0.000 0.328 916 T C -2.905 171.781 174.700 -0.022 0.000 1.068 916 T CA -1.949 60.129 62.100 -0.036 0.000 1.018 916 T CB 0.565 69.415 68.868 -0.030 0.000 1.009 916 T HN 0.500 nan 8.240 nan 0.000 0.471 917 P HA 0.298 nan 4.420 nan 0.000 0.265 917 P C -0.708 176.590 177.300 -0.004 0.000 1.222 917 P CA -0.027 63.068 63.100 -0.009 0.000 0.767 917 P CB 0.347 32.045 31.700 -0.004 0.000 0.801 918 I N 1.742 122.310 120.570 -0.004 0.000 2.545 918 I HA 0.121 4.293 4.170 0.003 0.000 0.292 918 I C 1.777 177.895 176.117 0.001 0.000 1.040 918 I CA -0.555 60.745 61.300 0.000 0.000 1.068 918 I CB 1.991 39.991 38.000 0.000 0.000 1.251 918 I HN 0.252 nan 8.210 nan 0.000 0.424 919 S N 6.018 121.720 115.700 0.004 0.000 2.392 919 S HA -0.073 4.398 4.470 0.003 0.000 0.225 919 S C -0.297 174.305 174.600 0.003 0.000 1.041 919 S CA 2.148 60.350 58.200 0.004 0.000 1.100 919 S CB -0.581 62.622 63.200 0.006 0.000 1.029 919 S HN 0.732 nan 8.310 nan 0.000 0.424 920 P HA 0.282 nan 4.420 nan 0.000 0.229 920 P C -0.199 177.105 177.300 0.007 0.000 1.160 920 P CA 0.298 63.402 63.100 0.006 0.000 0.855 920 P CB -0.084 31.620 31.700 0.007 0.000 0.898 934 K N 2.243 122.630 120.400 -0.022 0.000 2.338 934 K HA 0.455 4.777 4.320 0.003 0.000 0.290 934 K C -0.428 176.151 176.600 -0.035 0.000 1.069 934 K CA -0.046 56.223 56.287 -0.030 0.000 0.941 934 K CB 0.672 33.149 32.500 -0.039 0.000 1.023 934 K HN 0.250 nan 8.250 nan 0.000 0.477 935 R N 1.934 122.417 120.500 -0.028 0.000 2.357 935 R HA 0.046 4.388 4.340 0.003 0.000 0.296 935 R C -0.253 176.027 176.300 -0.033 0.000 1.052 935 R CA -0.608 55.478 56.100 -0.024 0.000 0.988 935 R CB 0.646 30.939 30.300 -0.012 0.000 1.025 935 R HN 0.547 nan 8.270 nan 0.000 0.469 936 D N 1.706 122.089 120.400 -0.028 0.000 2.425 936 D HA 0.113 4.754 4.640 0.003 0.000 0.247 936 D C -0.718 175.574 176.300 -0.013 0.000 1.147 936 D CA 0.226 54.209 54.000 -0.029 0.000 0.879 936 D CB 1.124 41.924 40.800 0.000 0.000 1.179 936 D HN 0.580 nan 8.370 nan 0.000 0.456 937 A N 2.789 125.590 122.820 -0.032 0.000 3.176 937 A HA 0.355 4.677 4.320 0.003 0.000 0.265 937 A C -0.074 177.490 177.584 -0.033 0.000 0.936 937 A CA -0.541 51.479 52.037 -0.029 0.000 1.033 937 A CB -0.285 18.685 19.000 -0.050 0.000 1.158 937 A HN 0.432 nan 8.150 nan 0.000 0.485 938 S N -0.140 115.573 115.700 0.021 0.000 2.525 938 S HA 0.602 5.074 4.470 0.003 0.000 0.278 938 S C -0.023 174.599 174.600 0.037 0.000 1.234 938 S CA -0.306 57.923 58.200 0.049 0.000 1.058 938 S CB 1.117 64.442 63.200 0.208 0.000 0.983 938 S HN 0.235 nan 8.310 nan 0.000 0.495 939 T N 5.393 119.954 114.554 0.011 0.000 2.733 939 T HA 0.495 4.847 4.350 0.003 0.000 0.294 939 T C -2.453 172.205 174.700 -0.070 0.000 0.956 939 T CA -1.012 61.089 62.100 0.001 0.000 0.987 939 T CB 0.896 69.786 68.868 0.038 0.000 0.920 939 T HN 0.526 nan 8.240 nan 0.000 0.470 940 P HA 0.247 nan 4.420 nan 0.000 0.278 940 P C -0.314 176.881 177.300 -0.174 0.000 1.266 940 P CA -0.981 62.046 63.100 -0.122 0.000 0.807 940 P CB 0.595 32.248 31.700 -0.078 0.000 1.094 941 L N 1.118 122.228 121.223 -0.189 0.000 2.417 941 L HA 0.272 4.613 4.340 0.003 0.000 0.268 941 L C 0.471 177.341 176.870 -0.001 0.000 1.158 941 L CA -0.488 54.239 54.840 -0.189 0.000 0.819 941 L CB 0.354 42.334 42.059 -0.132 0.000 1.112 941 L HN 0.357 nan 8.230 nan 0.000 0.458 942 R N 2.350 122.941 120.500 0.150 0.000 2.486 942 R HA -0.076 4.265 4.340 0.003 0.000 0.303 942 R C 1.658 178.007 176.300 0.081 0.000 0.958 942 R CA 1.115 57.310 56.100 0.159 0.000 1.077 942 R CB 0.276 30.707 30.300 0.219 0.000 0.921 942 R HN 0.867 nan 8.270 nan 0.000 0.406 943 S N 1.522 117.254 115.700 0.053 0.000 2.465 943 S HA -0.350 4.121 4.470 0.003 0.000 0.263 943 S C 1.516 176.134 174.600 0.030 0.000 1.135 943 S CA 2.213 60.431 58.200 0.030 0.000 1.118 943 S CB -0.886 62.328 63.200 0.024 0.000 0.994 943 S HN 0.825 nan 8.310 nan 0.000 0.455 944 T N -2.740 111.836 114.554 0.037 0.000 3.014 944 T HA 0.393 4.744 4.350 0.003 0.000 0.250 944 T C 0.443 175.157 174.700 0.023 0.000 1.060 944 T CA 0.050 62.165 62.100 0.025 0.000 1.040 944 T CB -0.007 68.870 68.868 0.015 0.000 0.971 944 T HN 0.415 nan 8.240 nan 0.000 0.497 945 E N 2.426 122.656 120.200 0.050 0.000 2.280 945 E HA 0.571 4.923 4.350 0.003 0.000 0.261 945 E C -0.217 176.419 176.600 0.060 0.000 1.088 945 E CA -0.522 55.919 56.400 0.068 0.000 0.915 945 E CB 0.734 30.525 29.700 0.152 0.000 1.141 945 E HN 0.591 nan 8.360 nan 0.000 0.433 946 N N -0.231 118.510 118.700 0.069 0.000 3.179 946 N HA 0.648 5.390 4.740 0.003 0.000 0.250 946 N C -0.303 175.248 175.510 0.068 0.000 1.507 946 N CA -0.229 52.852 53.050 0.052 0.000 0.883 946 N CB 0.770 39.274 38.487 0.028 0.000 1.435 946 N HN 0.718 nan 8.380 nan 0.000 0.532 947 G N -0.816 108.014 108.800 0.050 0.000 2.306 947 G HA2 0.149 4.111 3.960 0.003 0.000 0.262 947 G HA3 0.149 4.111 3.960 0.003 0.000 0.262 947 G C -1.729 173.198 174.900 0.045 0.000 1.263 947 G CA -0.383 44.747 45.100 0.050 0.000 1.088 947 G HN 0.780 nan 8.290 nan 0.000 0.489 948 I N 0.256 120.853 120.570 0.045 0.000 2.474 948 I HA 0.535 4.706 4.170 0.003 0.000 0.294 948 I C 0.662 176.814 176.117 0.059 0.000 1.005 948 I CA -1.326 60.001 61.300 0.044 0.000 1.113 948 I CB 1.957 39.981 38.000 0.040 0.000 1.289 948 I HN 0.392 nan 8.210 nan 0.000 0.436 949 V N 3.987 123.936 119.914 0.058 0.000 2.585 949 V HA -0.042 4.079 4.120 0.003 0.000 0.296 949 V C 0.528 176.675 176.094 0.090 0.000 1.035 949 V CA 0.437 62.781 62.300 0.074 0.000 1.084 949 V CB 0.879 32.734 31.823 0.053 0.000 0.953 949 V HN 0.888 nan 8.190 nan 0.000 0.483 950 D N 2.793 123.269 120.400 0.126 0.000 2.468 950 D HA 0.113 4.754 4.640 0.003 0.000 0.243 950 D C 0.634 176.998 176.300 0.106 0.000 0.994 950 D CA 0.857 54.947 54.000 0.151 0.000 0.932 950 D CB 0.564 41.532 40.800 0.282 0.000 1.078 950 D HN 0.708 nan 8.370 nan 0.000 0.473 951 Q N -0.462 119.395 119.800 0.095 0.000 2.416 951 Q HA 0.612 4.954 4.340 0.003 0.000 0.281 951 Q C -1.761 174.268 176.000 0.049 0.000 1.067 951 Q CA -0.905 54.931 55.803 0.056 0.000 0.809 951 Q CB 3.572 32.332 28.738 0.036 0.000 1.418 951 Q HN -0.100 nan 8.270 nan 0.000 0.411 952 V N 2.320 122.251 119.914 0.029 0.000 2.531 952 V HA 0.458 4.580 4.120 0.003 0.000 0.301 952 V C -1.300 174.794 176.094 -0.000 0.000 1.034 952 V CA -0.700 61.610 62.300 0.018 0.000 0.865 952 V CB 1.796 33.628 31.823 0.015 0.000 0.995 952 V HN 0.573 nan 8.190 nan 0.000 0.424 953 L N 6.480 127.695 121.223 -0.013 0.000 2.313 953 L HA 0.736 5.078 4.340 0.003 0.000 0.283 953 L C -0.636 176.204 176.870 -0.050 0.000 1.013 953 L CA -0.022 54.809 54.840 -0.015 0.000 0.816 953 L CB 1.780 43.843 42.059 0.007 0.000 1.236 953 L HN 0.464 nan 8.230 nan 0.000 0.419 954 V N 4.704 124.594 119.914 -0.040 0.000 2.350 954 V HA 0.737 4.858 4.120 0.003 0.000 0.285 954 V C 0.003 176.096 176.094 -0.001 0.000 1.014 954 V CA -0.250 62.008 62.300 -0.070 0.000 0.831 954 V CB 1.037 32.794 31.823 -0.110 0.000 1.000 954 V HN 0.956 nan 8.190 nan 0.000 0.433 955 T N 1.846 116.443 114.554 0.072 0.000 2.590 955 T HA 0.668 5.019 4.350 0.003 0.000 0.282 955 T C -0.478 174.316 174.700 0.156 0.000 0.989 955 T CA -0.629 61.550 62.100 0.132 0.000 1.091 955 T CB 2.132 71.135 68.868 0.226 0.000 1.460 955 T HN 0.649 nan 8.240 nan 0.000 0.499 956 T N 0.334 114.948 114.554 0.100 0.000 2.923 956 T HA 0.581 4.933 4.350 0.003 0.000 0.311 956 T C -1.556 173.091 174.700 -0.088 0.000 1.183 956 T CA -0.652 61.474 62.100 0.043 0.000 1.020 956 T CB 1.707 70.585 68.868 0.017 0.000 1.165 956 T HN 0.617 nan 8.240 nan 0.000 0.482 957 N N 1.562 120.188 118.700 -0.123 0.000 2.477 957 N HA 0.373 5.114 4.740 0.003 0.000 0.284 957 N C 1.387 176.838 175.510 -0.099 0.000 1.182 957 N CA -0.414 52.517 53.050 -0.199 0.000 0.949 957 N CB 1.290 39.614 38.487 -0.272 0.000 1.204 957 N HN 0.720 nan 8.380 nan 0.000 0.526 958 Q N -0.328 119.415 119.800 -0.095 0.000 2.231 958 Q HA -0.294 4.047 4.340 0.003 0.000 0.217 958 Q C 0.198 176.181 176.000 -0.028 0.000 1.013 958 Q CA 2.112 57.884 55.803 -0.052 0.000 0.917 958 Q CB -0.086 28.629 28.738 -0.039 0.000 0.968 958 Q HN 0.658 nan 8.270 nan 0.000 0.414 959 D N -2.015 118.373 120.400 -0.020 0.000 2.323 959 D HA 0.034 4.676 4.640 0.003 0.000 0.209 959 D C 0.623 176.926 176.300 0.006 0.000 0.973 959 D CA 1.152 55.152 54.000 0.000 0.000 0.874 959 D CB 0.487 41.295 40.800 0.012 0.000 0.930 959 D HN 0.444 nan 8.370 nan 0.000 0.521 960 G N 1.136 109.937 108.800 0.002 0.000 2.467 960 G HA2 -0.192 3.769 3.960 0.003 0.000 0.242 960 G HA3 -0.192 3.769 3.960 0.003 0.000 0.242 960 G C -0.284 174.637 174.900 0.036 0.000 1.127 960 G CA -0.321 44.787 45.100 0.013 0.000 0.924 960 G HN 0.202 nan 8.290 nan 0.000 0.499 961 L N -0.319 120.933 121.223 0.047 0.000 2.329 961 L HA 0.569 4.910 4.340 0.003 0.000 0.279 961 L C 0.802 177.750 176.870 0.130 0.000 1.014 961 L CA -1.090 53.808 54.840 0.097 0.000 0.814 961 L CB 1.834 43.964 42.059 0.118 0.000 1.257 961 L HN 0.137 nan 8.230 nan 0.000 0.424 962 K N 2.564 123.048 120.400 0.139 0.000 2.382 962 K HA 0.211 4.533 4.320 0.003 0.000 0.286 962 K C -1.273 175.418 176.600 0.151 0.000 1.062 962 K CA 0.001 56.337 56.287 0.083 0.000 1.000 962 K CB 0.285 32.789 32.500 0.007 0.000 0.954 962 K HN 0.398 nan 8.250 nan 0.000 0.470 963 F N 4.593 124.500 119.950 -0.071 0.000 2.520 963 F HA 0.478 5.007 4.527 0.004 0.000 0.322 963 F C -1.308 174.457 175.800 -0.059 0.000 1.103 963 F CA -0.733 57.264 58.000 -0.005 0.000 0.926 963 F CB 1.346 40.355 39.000 0.015 0.000 1.154 963 F HN 0.115 nan 8.300 nan 0.000 0.453 964 V N 5.513 125.035 119.914 -0.653 0.000 2.760 964 V HA 0.454 4.576 4.120 0.003 0.000 0.309 964 V C -1.068 174.744 176.094 -0.470 0.000 1.077 964 V CA -1.076 60.963 62.300 -0.435 0.000 0.910 964 V CB 2.227 33.938 31.823 -0.187 0.000 1.008 964 V HN 0.668 nan 8.190 nan 0.000 0.424 965 K N 3.228 123.465 120.400 -0.273 0.000 2.535 965 K HA 0.628 4.949 4.320 0.003 0.000 0.253 965 K C -1.341 175.250 176.600 -0.015 0.000 0.953 965 K CA -0.529 55.674 56.287 -0.140 0.000 0.863 965 K CB 2.296 34.739 32.500 -0.095 0.000 1.111 965 K HN 0.484 nan 8.250 nan 0.000 0.431 966 V N 3.327 123.281 119.914 0.066 0.000 2.407 966 V HA 0.364 4.485 4.120 0.003 0.000 0.278 966 V C 0.143 176.344 176.094 0.179 0.000 1.037 966 V CA -0.779 61.591 62.300 0.117 0.000 0.900 966 V CB 1.182 33.083 31.823 0.130 0.000 0.983 966 V HN 0.611 nan 8.190 nan 0.000 0.459 967 R N 3.728 124.311 120.500 0.139 0.000 2.265 967 R HA 0.655 4.997 4.340 0.003 0.000 0.328 967 R C -1.290 175.126 176.300 0.193 0.000 0.969 967 R CA -0.328 55.867 56.100 0.159 0.000 0.832 967 R CB 1.414 31.791 30.300 0.129 0.000 1.139 967 R HN 0.607 nan 8.270 nan 0.000 0.457 968 V N 4.857 124.901 119.914 0.216 0.000 2.547 968 V HA 0.527 4.648 4.120 0.003 0.000 0.299 968 V C -0.033 176.119 176.094 0.097 0.000 1.040 968 V CA -0.785 61.622 62.300 0.177 0.000 0.913 968 V CB 1.568 33.530 31.823 0.232 0.000 0.992 968 V HN 0.682 nan 8.190 nan 0.000 0.449 969 R N 2.373 122.894 120.500 0.034 0.000 2.561 969 R HA 0.666 5.008 4.340 0.003 0.000 0.297 969 R C -1.317 174.942 176.300 -0.068 0.000 0.969 969 R CA -0.199 55.798 56.100 -0.170 0.000 0.879 969 R CB 2.166 32.329 30.300 -0.228 0.000 1.178 969 R HN 0.805 nan 8.270 nan 0.000 0.445 970 T N 1.786 116.311 114.554 -0.048 0.000 2.893 970 T HA 0.254 4.605 4.350 0.003 0.000 0.291 970 T C -0.507 174.191 174.700 -0.003 0.000 1.028 970 T CA -0.466 61.658 62.100 0.039 0.000 0.995 970 T CB 1.893 70.844 68.868 0.138 0.000 1.051 970 T HN 0.489 nan 8.240 nan 0.000 0.470 971 T N 2.152 116.711 114.554 0.007 0.000 2.845 971 T HA 0.472 4.823 4.350 0.003 0.000 0.288 971 T C -0.659 174.012 174.700 -0.048 0.000 0.980 971 T CA -0.482 61.613 62.100 -0.009 0.000 1.071 971 T CB 0.198 69.104 68.868 0.063 0.000 0.941 971 T HN 0.400 nan 8.240 nan 0.000 0.487 972 K N 4.187 124.523 120.400 -0.107 0.000 2.426 972 K HA 0.517 4.838 4.320 0.003 0.000 0.254 972 K C -1.030 175.502 176.600 -0.113 0.000 0.936 972 K CA -0.648 55.579 56.287 -0.101 0.000 0.801 972 K CB 1.529 33.963 32.500 -0.110 0.000 1.139 972 K HN 0.485 nan 8.250 nan 0.000 0.424 973 I N 4.487 125.017 120.570 -0.067 0.000 2.437 973 I HA 0.242 4.414 4.170 0.003 0.000 0.298 973 I C -1.944 174.182 176.117 0.014 0.000 0.984 973 I CA -2.425 58.853 61.300 -0.036 0.000 1.214 973 I CB 1.236 39.223 38.000 -0.021 0.000 1.365 973 I HN 0.389 nan 8.210 nan 0.000 0.469 974 P HA -0.036 nan 4.420 nan 0.000 0.257 974 P C -0.558 176.788 177.300 0.078 0.000 1.269 974 P CA 0.346 63.535 63.100 0.148 0.000 1.122 974 P CB 0.281 32.077 31.700 0.160 0.000 1.285 975 Q N 1.688 121.529 119.800 0.068 0.000 2.179 975 Q HA 0.266 4.607 4.340 0.003 0.000 0.174 975 Q C 1.263 177.283 176.000 0.033 0.000 1.044 975 Q CA -0.775 55.045 55.803 0.027 0.000 1.105 975 Q CB 0.755 29.496 28.738 0.006 0.000 1.213 975 Q HN 0.224 nan 8.270 nan 0.000 0.574 976 I N -0.703 119.870 120.570 0.005 0.000 2.406 976 I HA -0.004 4.168 4.170 0.003 0.000 0.249 976 I C 1.317 177.439 176.117 0.009 0.000 1.122 976 I CA 1.476 62.769 61.300 -0.012 0.000 1.431 976 I CB 0.089 38.074 38.000 -0.026 0.000 1.087 976 I HN 0.677 nan 8.210 nan 0.000 0.424 977 G N -0.358 108.454 108.800 0.019 0.000 3.337 977 G HA2 0.051 4.012 3.960 0.003 0.000 0.246 977 G HA3 0.051 4.012 3.960 0.003 0.000 0.246 977 G C -0.179 174.742 174.900 0.035 0.000 1.131 977 G CA -0.284 44.828 45.100 0.020 0.000 0.773 977 G HN 0.194 nan 8.290 nan 0.000 0.544 978 D N 1.041 121.491 120.400 0.083 0.000 2.389 978 D HA 0.180 4.822 4.640 0.003 0.000 0.247 978 D C 0.383 176.686 176.300 0.005 0.000 1.128 978 D CA 0.264 54.282 54.000 0.031 0.000 0.884 978 D CB 1.612 42.464 40.800 0.086 0.000 1.194 978 D HN 0.107 nan 8.370 nan 0.000 0.441 979 K N 1.586 121.848 120.400 -0.230 0.000 2.185 979 K HA 0.426 4.748 4.320 0.003 0.000 0.271 979 K C -0.977 175.302 176.600 -0.534 0.000 1.013 979 K CA -0.138 56.040 56.287 -0.181 0.000 0.943 979 K CB 0.504 32.947 32.500 -0.095 0.000 0.998 979 K HN 0.252 nan 8.250 nan 0.000 0.468 980 F N 0.319 120.194 119.950 -0.125 0.000 2.711 980 F HA 0.652 5.180 4.527 0.002 0.000 0.313 980 F C -0.749 174.987 175.800 -0.106 0.000 1.141 980 F CA -0.765 57.122 58.000 -0.188 0.000 0.941 980 F CB 2.322 41.100 39.000 -0.370 0.000 1.349 980 F HN 0.589 nan 8.300 nan 0.000 0.464 981 A N 0.299 123.229 122.820 0.184 0.000 2.594 981 A HA 0.610 4.932 4.320 0.003 0.000 0.296 981 A C -0.493 177.444 177.584 0.588 0.000 1.056 981 A CA -0.123 52.087 52.037 0.288 0.000 0.693 981 A CB 0.898 20.011 19.000 0.189 0.000 1.278 981 A HN 0.896 nan 8.150 nan 0.000 0.408 982 S N 1.539 117.702 115.700 0.771 0.000 2.184 982 S HA 0.346 4.817 4.470 0.003 0.000 0.159 982 S C 0.764 175.472 174.600 0.180 0.000 1.364 982 S CA 0.551 58.941 58.200 0.317 0.000 2.236 982 S CB -0.021 63.157 63.200 -0.037 0.000 0.365 982 S HN 0.713 nan 8.310 nan 0.000 0.359 983 R N -0.079 120.442 120.500 0.036 0.000 2.616 983 R HA 0.332 4.674 4.340 0.003 0.000 0.427 983 R C -0.795 175.185 176.300 -0.534 0.000 1.030 983 R CA 0.012 55.988 56.100 -0.206 0.000 1.133 983 R CB 0.382 30.514 30.300 -0.280 0.000 1.444 983 R HN 0.652 nan 8.270 nan 0.000 0.578 984 H N -1.337 117.837 119.070 0.172 0.000 2.907 984 H HA 0.241 4.798 4.556 0.003 0.000 0.233 984 H C 0.867 176.272 175.328 0.129 0.000 1.285 984 H CA 0.155 56.293 56.048 0.150 0.000 0.981 984 H CB 1.385 31.244 29.762 0.161 0.000 2.255 984 H HN 0.288 nan 8.280 nan 0.000 0.601 985 G N 0.859 109.779 108.800 0.201 0.000 2.168 985 G HA2 -0.343 3.618 3.960 0.003 0.000 0.263 985 G HA3 -0.343 3.618 3.960 0.003 0.000 0.263 985 G C 0.630 175.571 174.900 0.068 0.000 0.977 985 G CA -0.095 45.095 45.100 0.150 0.000 0.659 985 G HN 0.351 nan 8.290 nan 0.000 0.533 986 Q N 1.016 120.889 119.800 0.122 0.000 3.159 986 Q HA 0.141 4.482 4.340 0.003 0.000 0.280 986 Q C 1.119 177.197 176.000 0.130 0.000 1.403 986 Q CA 0.530 56.386 55.803 0.088 0.000 0.957 986 Q CB -0.240 28.527 28.738 0.049 0.000 1.729 986 Q HN 0.859 nan 8.270 nan 0.000 0.551 987 K N -1.005 119.430 120.400 0.058 0.000 2.270 987 K HA 0.634 4.956 4.320 0.003 0.000 0.276 987 K C 0.146 176.756 176.600 0.017 0.000 1.023 987 K CA -0.506 55.809 56.287 0.047 0.000 0.955 987 K CB 1.079 33.580 32.500 0.002 0.000 0.975 987 K HN 0.187 nan 8.250 nan 0.000 0.471 988 G N 1.181 109.994 108.800 0.022 0.000 2.733 988 G HA2 0.302 4.264 3.960 0.003 0.000 0.297 988 G HA3 0.302 4.264 3.960 0.003 0.000 0.297 988 G C -0.746 174.175 174.900 0.034 0.000 1.452 988 G CA -0.759 44.343 45.100 0.003 0.000 0.940 988 G HN 0.762 nan 8.290 nan 0.000 0.547 989 T N -0.743 113.827 114.554 0.027 0.000 2.754 989 T HA 0.628 4.980 4.350 0.003 0.000 0.286 989 T C 0.676 175.384 174.700 0.013 0.000 0.997 989 T CA -0.537 61.605 62.100 0.069 0.000 0.982 989 T CB 0.900 69.794 68.868 0.044 0.000 1.027 989 T HN 0.413 nan 8.240 nan 0.000 0.529 990 I N 1.463 122.041 120.570 0.013 0.000 2.496 990 I HA 0.315 4.487 4.170 0.003 0.000 0.285 990 I C 1.569 177.654 176.117 -0.053 0.000 1.080 990 I CA -0.137 61.111 61.300 -0.088 0.000 1.404 990 I CB 1.132 39.063 38.000 -0.115 0.000 1.403 990 I HN 1.024 nan 8.210 nan 0.000 0.539 991 G N 6.568 115.330 108.800 -0.063 0.000 2.595 991 G HA2 0.196 4.157 3.960 0.003 0.000 0.213 991 G HA3 0.196 4.157 3.960 0.003 0.000 0.213 991 G C 0.101 174.946 174.900 -0.091 0.000 1.141 991 G CA 0.432 45.519 45.100 -0.021 0.000 0.806 991 G HN 0.440 nan 8.290 nan 0.000 0.530 992 I N -0.159 120.281 120.570 -0.216 0.000 2.947 992 I HA 0.375 4.546 4.170 0.003 0.000 0.301 992 I C -1.095 174.797 176.117 -0.375 0.000 1.453 992 I CA -0.624 60.455 61.300 -0.368 0.000 0.984 992 I CB 2.264 39.836 38.000 -0.713 0.000 1.333 992 I HN 0.002 nan 8.210 nan 0.000 0.475 993 T N 2.185 116.565 114.554 -0.290 0.000 2.770 993 T HA 0.597 4.949 4.350 0.003 0.000 0.297 993 T C -0.705 173.957 174.700 -0.065 0.000 0.997 993 T CA -0.303 61.694 62.100 -0.171 0.000 0.949 993 T CB 0.098 68.919 68.868 -0.079 0.000 0.941 993 T HN 0.380 nan 8.240 nan 0.000 0.457 994 Y N 1.197 121.480 120.300 -0.027 0.000 2.496 994 Y HA 0.626 5.177 4.550 0.002 0.000 0.331 994 Y C 1.006 176.902 175.900 -0.006 0.000 1.140 994 Y CA -1.789 56.310 58.100 -0.003 0.000 1.166 994 Y CB 1.708 40.193 38.460 0.042 0.000 1.249 994 Y HN 0.466 nan 8.280 nan 0.000 0.479 995 R N 0.576 121.178 120.500 0.172 0.000 2.583 995 R HA 0.175 4.517 4.340 0.003 0.000 0.268 995 R C 1.304 177.633 176.300 0.049 0.000 1.101 995 R CA -0.079 56.063 56.100 0.072 0.000 1.180 995 R CB 0.438 30.758 30.300 0.033 0.000 1.128 995 R HN 0.682 nan 8.270 nan 0.000 0.568 996 R N 0.438 120.949 120.500 0.018 0.000 2.120 996 R HA -0.177 4.165 4.340 0.003 0.000 0.234 996 R C 0.938 177.225 176.300 -0.022 0.000 1.123 996 R CA 2.020 58.122 56.100 0.004 0.000 0.975 996 R CB 0.078 30.369 30.300 -0.015 0.000 0.866 996 R HN 0.639 nan 8.270 nan 0.000 0.446 997 E N 0.590 120.762 120.200 -0.047 0.000 2.015 997 E HA -0.153 4.199 4.350 0.003 0.000 0.191 997 E C 1.534 178.097 176.600 -0.061 0.000 0.991 997 E CA 1.550 57.905 56.400 -0.076 0.000 0.802 997 E CB -0.347 29.305 29.700 -0.079 0.000 0.759 997 E HN 0.322 nan 8.360 nan 0.000 0.447 998 D N -0.033 120.283 120.400 -0.140 0.000 2.315 998 D HA -0.110 4.532 4.640 0.003 0.000 0.211 998 D C 0.325 176.544 176.300 -0.134 0.000 0.977 998 D CA 0.732 54.519 54.000 -0.354 0.000 0.894 998 D CB -0.232 40.317 40.800 -0.417 0.000 0.910 998 D HN 0.135 nan 8.370 nan 0.000 0.490 999 M N 1.624 121.222 119.600 -0.003 0.000 2.200 999 M HA 0.174 4.656 4.480 0.003 0.000 0.355 999 M C -2.332 173.968 176.300 0.000 0.000 1.283 999 M CA -1.942 53.346 55.300 -0.020 0.000 1.124 999 M CB 1.099 33.720 32.600 0.034 0.000 1.625 999 M HN -0.268 nan 8.290 nan 0.000 0.463 1000 P HA 0.086 nan 4.420 nan 0.000 0.269 1000 P C -1.403 175.796 177.300 -0.169 0.000 1.263 1000 P CA 0.117 63.089 63.100 -0.212 0.000 0.813 1000 P CB -0.724 30.734 31.700 -0.403 0.000 0.868 1001 F N 0.727 120.623 119.950 -0.090 0.000 2.458 1001 F HA 0.694 5.222 4.527 0.003 0.000 0.330 1001 F C 0.575 176.312 175.800 -0.104 0.000 1.082 1001 F CA -1.269 56.672 58.000 -0.098 0.000 0.995 1001 F CB 0.633 39.628 39.000 -0.009 0.000 1.170 1001 F HN 0.107 nan 8.300 nan 0.000 0.478 1002 T N 0.800 115.320 114.554 -0.058 0.000 2.788 1002 T HA 0.434 4.786 4.350 0.003 0.000 0.287 1002 T C 1.322 176.137 174.700 0.193 0.000 1.007 1002 T CA 0.097 62.122 62.100 -0.125 0.000 1.005 1002 T CB 1.055 69.802 68.868 -0.202 0.000 1.012 1002 T HN 0.923 nan 8.240 nan 0.000 0.530 1003 A N 1.157 124.058 122.820 0.136 0.000 1.940 1003 A HA -0.072 4.249 4.320 0.003 0.000 0.219 1003 A C 2.066 179.759 177.584 0.181 0.000 1.176 1003 A CA 2.012 54.214 52.037 0.275 0.000 0.631 1003 A CB -0.736 18.356 19.000 0.154 0.000 0.814 1003 A HN 0.953 nan 8.150 nan 0.000 0.446 1004 E N -1.599 118.674 120.200 0.121 0.000 2.482 1004 E HA 0.164 4.516 4.350 0.003 0.000 0.196 1004 E C 1.144 177.822 176.600 0.129 0.000 1.047 1004 E CA 0.501 56.966 56.400 0.109 0.000 0.869 1004 E CB -0.176 29.591 29.700 0.110 0.000 0.836 1004 E HN 0.734 nan 8.360 nan 0.000 0.520 1005 G N 0.771 109.676 108.800 0.175 0.000 2.176 1005 G HA2 -0.199 3.763 3.960 0.003 0.000 0.232 1005 G HA3 -0.199 3.763 3.960 0.003 0.000 0.232 1005 G C 0.261 175.247 174.900 0.144 0.000 0.986 1005 G CA 0.112 45.298 45.100 0.144 0.000 0.643 1005 G HN 0.193 nan 8.290 nan 0.000 0.522 1006 I N 1.214 121.897 120.570 0.189 0.000 2.529 1006 I HA 0.432 4.603 4.170 0.003 0.000 0.284 1006 I C 0.810 177.082 176.117 0.258 0.000 1.082 1006 I CA -0.413 61.029 61.300 0.235 0.000 1.406 1006 I CB 1.097 39.323 38.000 0.377 0.000 1.405 1006 I HN -0.122 nan 8.210 nan 0.000 0.548 1007 V N 7.390 127.450 119.914 0.243 0.000 2.581 1007 V HA 0.375 4.497 4.120 0.003 0.000 0.303 1007 V C -2.209 174.067 176.094 0.303 0.000 1.041 1007 V CA -1.673 60.761 62.300 0.223 0.000 0.907 1007 V CB 2.027 33.924 31.823 0.124 0.000 0.994 1007 V HN 0.642 nan 8.190 nan 0.000 0.442 1008 P HA 0.280 nan 4.420 nan 0.000 0.280 1008 P C -0.082 177.290 177.300 0.121 0.000 1.244 1008 P CA -0.261 63.018 63.100 0.298 0.000 0.784 1008 P CB 0.781 32.683 31.700 0.337 0.000 0.913 1009 D N 1.081 121.520 120.400 0.066 0.000 2.269 1009 D HA 0.001 4.643 4.640 0.003 0.000 0.208 1009 D C 0.254 176.552 176.300 -0.004 0.000 0.963 1009 D CA 1.489 55.508 54.000 0.031 0.000 0.864 1009 D CB 0.158 40.979 40.800 0.036 0.000 0.936 1009 D HN 0.144 nan 8.370 nan 0.000 0.505 1010 L N 0.249 121.479 121.223 0.011 0.000 2.526 1010 L HA 0.347 4.688 4.340 0.003 0.000 0.263 1010 L C -1.590 175.296 176.870 0.027 0.000 0.943 1010 L CA -0.494 54.326 54.840 -0.033 0.000 0.859 1010 L CB 2.245 44.266 42.059 -0.064 0.000 1.313 1010 L HN -0.298 nan 8.230 nan 0.000 0.406 1011 I N 5.724 126.297 120.570 0.006 0.000 2.464 1011 I HA 0.432 4.604 4.170 0.003 0.000 0.277 1011 I C -0.240 175.914 176.117 0.063 0.000 1.040 1011 I CA -0.169 61.167 61.300 0.059 0.000 1.153 1011 I CB 1.040 39.068 38.000 0.047 0.000 1.274 1011 I HN 0.436 nan 8.210 nan 0.000 0.469 1012 I N 2.412 123.043 120.570 0.101 0.000 2.664 1012 I HA 0.558 4.730 4.170 0.003 0.000 0.308 1012 I C 0.265 176.457 176.117 0.125 0.000 0.984 1012 I CA -0.385 60.973 61.300 0.097 0.000 1.213 1012 I CB 0.596 38.674 38.000 0.130 0.000 1.379 1012 I HN 0.305 nan 8.210 nan 0.000 0.501 1013 N N 3.702 122.468 118.700 0.110 0.000 2.488 1013 N HA 0.288 5.029 4.740 0.003 0.000 0.274 1013 N C -1.884 173.704 175.510 0.130 0.000 1.111 1013 N CA -1.920 51.214 53.050 0.140 0.000 0.974 1013 N CB 1.400 39.972 38.487 0.142 0.000 1.089 1013 N HN 0.409 nan 8.380 nan 0.000 0.465 1014 P HA -0.115 nan 4.420 nan 0.000 0.220 1014 P C 0.670 177.935 177.300 -0.060 0.000 1.144 1014 P CA 1.223 64.338 63.100 0.026 0.000 0.800 1014 P CB 0.090 31.786 31.700 -0.007 0.000 0.772 1015 H N -1.254 117.830 119.070 0.024 0.000 2.524 1015 H HA 0.203 4.760 4.556 0.003 0.000 0.282 1015 H C 0.762 176.086 175.328 -0.006 0.000 1.016 1015 H CA 0.288 56.340 56.048 0.007 0.000 1.270 1015 H CB 0.046 29.811 29.762 0.006 0.000 1.394 1015 H HN 0.075 nan 8.280 nan 0.000 0.568 1016 A N 0.852 123.723 122.820 0.085 0.000 2.320 1016 A HA 0.491 4.813 4.320 0.003 0.000 0.287 1016 A C 0.651 178.221 177.584 -0.023 0.000 1.181 1016 A CA -0.098 51.951 52.037 0.019 0.000 0.831 1016 A CB 0.283 19.285 19.000 0.002 0.000 1.102 1016 A HN 0.420 nan 8.150 nan 0.000 0.513 1017 I N 0.282 120.832 120.570 -0.034 0.000 3.041 1017 I HA -0.114 4.057 4.170 0.003 0.000 0.218 1017 I C -1.321 174.773 176.117 -0.038 0.000 1.009 1017 I CA 0.293 61.561 61.300 -0.053 0.000 1.625 1017 I CB -0.945 37.017 38.000 -0.065 0.000 2.390 1017 I HN 0.482 nan 8.210 nan 0.000 0.396 1018 P HA -0.207 nan 4.420 nan 0.000 0.216 1018 P C 1.147 178.439 177.300 -0.012 0.000 1.154 1018 P CA 2.408 65.491 63.100 -0.029 0.000 0.865 1018 P CB -0.134 31.547 31.700 -0.032 0.000 0.789 1019 S N -0.793 114.905 115.700 -0.003 0.000 2.679 1019 S HA 0.128 4.599 4.470 0.003 0.000 0.233 1019 S C 1.036 175.634 174.600 -0.003 0.000 0.951 1019 S CA -0.501 57.700 58.200 0.001 0.000 0.973 1019 S CB -0.837 62.368 63.200 0.009 0.000 0.778 1019 S HN 0.234 nan 8.310 nan 0.000 0.477 1020 R N -0.551 119.946 120.500 -0.005 0.000 2.320 1020 R HA 0.185 4.526 4.340 0.003 0.000 0.218 1020 R C 0.163 176.465 176.300 0.004 0.000 0.694 1020 R CA -0.244 55.857 56.100 0.001 0.000 0.936 1020 R CB -1.222 29.070 30.300 -0.013 0.000 1.574 1020 R HN 0.360 nan 8.270 nan 0.000 0.463 1021 M N 2.301 121.896 119.600 -0.008 0.000 2.107 1021 M HA -0.176 4.306 4.480 0.003 0.000 0.190 1021 M C 0.164 176.458 176.300 -0.011 0.000 0.436 1021 M CA 1.529 56.821 55.300 -0.013 0.000 0.393 1021 M CB -1.117 31.481 32.600 -0.003 0.000 1.003 1021 M HN 0.309 nan 8.290 nan 0.000 0.939 1022 T N -0.456 114.079 114.554 -0.030 0.000 3.855 1022 T HA 0.405 4.757 4.350 0.003 0.000 0.306 1022 T C 1.058 175.701 174.700 -0.096 0.000 1.575 1022 T CA -0.362 61.711 62.100 -0.045 0.000 1.214 1022 T CB -0.118 68.722 68.868 -0.047 0.000 1.262 1022 T HN 0.341 nan 8.240 nan 0.000 0.883 1023 V N 2.456 122.323 119.914 -0.079 0.000 2.626 1023 V HA -0.039 4.082 4.120 0.003 0.000 0.252 1023 V C 3.002 178.987 176.094 -0.181 0.000 1.067 1023 V CA 1.556 63.789 62.300 -0.112 0.000 1.081 1023 V CB -1.366 30.414 31.823 -0.072 0.000 0.686 1023 V HN 0.804 nan 8.190 nan 0.000 0.468 1024 A N -0.025 122.687 122.820 -0.180 0.000 1.903 1024 A HA -0.350 3.971 4.320 0.003 0.000 0.219 1024 A C 2.287 179.625 177.584 -0.410 0.000 1.191 1024 A CA 2.337 54.236 52.037 -0.230 0.000 0.638 1024 A CB -1.025 17.939 19.000 -0.059 0.000 0.823 1024 A HN 0.685 nan 8.150 nan 0.000 0.451 1025 H N 0.008 118.581 119.070 -0.828 0.000 2.387 1025 H HA -0.076 4.481 4.556 0.002 0.000 0.299 1025 H C 1.869 177.106 175.328 -0.152 0.000 1.099 1025 H CA 1.860 57.607 56.048 -0.501 0.000 1.315 1025 H CB -0.126 29.438 29.762 -0.330 0.000 1.380 1025 H HN 0.458 nan 8.280 nan 0.000 0.513 1026 L N 0.083 121.281 121.223 -0.042 0.000 2.093 1026 L HA -0.149 4.193 4.340 0.003 0.000 0.208 1026 L C 2.705 179.524 176.870 -0.085 0.000 1.085 1026 L CA 0.885 55.687 54.840 -0.065 0.000 0.755 1026 L CB -0.324 41.579 42.059 -0.261 0.000 0.904 1026 L HN 0.220 nan 8.230 nan 0.000 0.435 1027 I N -0.361 120.060 120.570 -0.248 0.000 2.233 1027 I HA -0.244 3.928 4.170 0.003 0.000 0.243 1027 I C 2.518 178.492 176.117 -0.239 0.000 1.093 1027 I CA 0.987 62.060 61.300 -0.378 0.000 1.380 1027 I CB -0.437 37.064 38.000 -0.833 0.000 1.067 1027 I HN 0.280 nan 8.210 nan 0.000 0.413 1028 E N 0.966 121.090 120.200 -0.126 0.000 2.037 1028 E HA -0.398 3.953 4.350 0.003 0.000 0.214 1028 E C 2.341 178.921 176.600 -0.033 0.000 1.041 1028 E CA 2.728 59.154 56.400 0.045 0.000 0.872 1028 E CB -0.355 29.395 29.700 0.083 0.000 0.785 1028 E HN 0.552 nan 8.360 nan 0.000 0.476 1029 C N 0.154 119.401 119.300 -0.088 0.000 2.369 1029 C HA -0.235 4.226 4.460 0.003 0.000 0.273 1029 C C 2.813 177.725 174.990 -0.129 0.000 1.172 1029 C CA 1.545 60.480 59.018 -0.140 0.000 1.791 1029 C CB -1.339 26.330 27.740 -0.119 0.000 2.086 1029 C HN 0.648 nan 8.230 nan 0.000 0.459 1030 L N -0.153 121.064 121.223 -0.011 0.000 2.046 1030 L HA -0.038 4.304 4.340 0.003 0.000 0.208 1030 L C 2.225 179.055 176.870 -0.066 0.000 1.077 1030 L CA 1.760 56.583 54.840 -0.029 0.000 0.747 1030 L CB -0.761 41.316 42.059 0.030 0.000 0.896 1030 L HN 0.429 nan 8.230 nan 0.000 0.432 1031 L N -1.156 120.039 121.223 -0.046 0.000 1.961 1031 L HA -0.203 4.139 4.340 0.003 0.000 0.210 1031 L C 2.580 179.431 176.870 -0.032 0.000 1.072 1031 L CA 2.166 57.000 54.840 -0.010 0.000 0.749 1031 L CB -1.059 41.061 42.059 0.102 0.000 0.889 1031 L HN 0.268 nan 8.230 nan 0.000 0.432 1032 S N -0.358 115.325 115.700 -0.030 0.000 2.380 1032 S HA -0.302 4.169 4.470 0.003 0.000 0.229 1032 S C 1.955 176.505 174.600 -0.084 0.000 1.043 1032 S CA 1.741 59.913 58.200 -0.046 0.000 1.038 1032 S CB -0.466 62.709 63.200 -0.043 0.000 0.872 1032 S HN 0.422 nan 8.310 nan 0.000 0.456 1033 K N 0.902 121.227 120.400 -0.125 0.000 2.001 1033 K HA -0.157 4.164 4.320 0.003 0.000 0.214 1033 K C 1.960 178.476 176.600 -0.140 0.000 1.050 1033 K CA 1.934 58.125 56.287 -0.160 0.000 0.934 1033 K CB -0.370 32.009 32.500 -0.203 0.000 0.718 1033 K HN 0.268 nan 8.250 nan 0.000 0.443 1034 V N 0.989 120.824 119.914 -0.132 0.000 2.515 1034 V HA -0.200 3.922 4.120 0.003 0.000 0.250 1034 V C 2.434 178.481 176.094 -0.078 0.000 1.058 1034 V CA 1.792 64.008 62.300 -0.139 0.000 1.064 1034 V CB -0.850 30.868 31.823 -0.176 0.000 0.675 1034 V HN 0.455 nan 8.190 nan 0.000 0.461 1035 A N 0.394 123.178 122.820 -0.060 0.000 1.940 1035 A HA -0.111 4.211 4.320 0.003 0.000 0.219 1035 A C 2.430 179.996 177.584 -0.030 0.000 1.176 1035 A CA 2.123 54.138 52.037 -0.037 0.000 0.631 1035 A CB -0.705 18.275 19.000 -0.034 0.000 0.814 1035 A HN 0.582 nan 8.150 nan 0.000 0.446 1036 A N -0.535 122.257 122.820 -0.046 0.000 1.930 1036 A HA 0.058 4.380 4.320 0.003 0.000 0.217 1036 A C 2.135 179.702 177.584 -0.028 0.000 1.175 1036 A CA 1.418 53.430 52.037 -0.042 0.000 0.627 1036 A CB -0.479 18.484 19.000 -0.062 0.000 0.815 1036 A HN 0.456 nan 8.150 nan 0.000 0.443 1037 L N 0.133 121.341 121.223 -0.025 0.000 2.131 1037 L HA -0.094 4.248 4.340 0.003 0.000 0.206 1037 L C 2.801 179.705 176.870 0.056 0.000 1.087 1037 L CA 1.456 56.301 54.840 0.010 0.000 0.767 1037 L CB -0.237 41.846 42.059 0.039 0.000 0.917 1037 L HN 0.544 nan 8.230 nan 0.000 0.441 1038 S N -0.502 115.263 115.700 0.110 0.000 2.528 1038 S HA 0.124 4.595 4.470 0.003 0.000 0.219 1038 S C 1.370 175.996 174.600 0.043 0.000 0.985 1038 S CA 0.274 58.556 58.200 0.136 0.000 0.914 1038 S CB -0.057 63.252 63.200 0.181 0.000 0.776 1038 S HN 0.455 nan 8.310 nan 0.000 0.526 1039 G N 1.748 110.557 108.800 0.016 0.000 2.392 1039 G HA2 -0.183 3.778 3.960 0.003 0.000 0.290 1039 G HA3 -0.183 3.778 3.960 0.003 0.000 0.290 1039 G C -0.425 174.472 174.900 -0.004 0.000 1.032 1039 G CA 0.035 45.135 45.100 -0.001 0.000 1.269 1039 G HN 0.546 nan 8.290 nan 0.000 0.511 1040 N N -0.814 117.880 118.700 -0.010 0.000 2.774 1040 N HA 0.476 5.218 4.740 0.003 0.000 0.264 1040 N C -0.642 174.850 175.510 -0.030 0.000 1.415 1040 N CA -0.826 52.214 53.050 -0.017 0.000 0.815 1040 N CB 1.735 40.216 38.487 -0.010 0.000 1.514 1040 N HN 0.337 nan 8.380 nan 0.000 0.523 1041 E N -0.363 119.814 120.200 -0.039 0.000 2.259 1041 E HA 0.454 4.806 4.350 0.003 0.000 0.281 1041 E C -0.177 176.393 176.600 -0.050 0.000 1.027 1041 E CA -0.415 55.953 56.400 -0.054 0.000 0.838 1041 E CB 0.701 30.359 29.700 -0.071 0.000 1.066 1041 E HN 0.587 nan 8.360 nan 0.000 0.401 1042 G N 3.746 112.515 108.800 -0.051 0.000 2.327 1042 G HA2 0.128 4.090 3.960 0.003 0.000 0.302 1042 G HA3 0.128 4.090 3.960 0.003 0.000 0.302 1042 G C -0.670 174.189 174.900 -0.069 0.000 1.113 1042 G CA -0.576 44.502 45.100 -0.037 0.000 0.921 1042 G HN 0.548 nan 8.290 nan 0.000 0.425 1043 D N 2.207 122.569 120.400 -0.063 0.000 2.374 1043 D HA 0.384 5.026 4.640 0.003 0.000 0.240 1043 D C 0.980 177.162 176.300 -0.197 0.000 1.229 1043 D CA -0.102 53.830 54.000 -0.113 0.000 0.895 1043 D CB 1.072 41.828 40.800 -0.073 0.000 1.046 1043 D HN 0.320 nan 8.370 nan 0.000 0.498 1044 A N 2.819 125.411 122.820 -0.379 0.000 2.430 1044 A HA 0.174 4.495 4.320 0.003 0.000 0.243 1044 A C 0.889 178.030 177.584 -0.738 0.000 1.254 1044 A CA -0.354 51.101 52.037 -0.969 0.000 0.914 1044 A CB 0.126 18.683 19.000 -0.739 0.000 0.998 1044 A HN 0.406 nan 8.150 nan 0.000 0.515 1045 S N 2.340 117.851 115.700 -0.316 0.000 2.563 1045 S HA 0.130 4.601 4.470 0.003 0.000 0.294 1045 S C -1.370 173.261 174.600 0.053 0.000 1.279 1045 S CA -0.503 57.652 58.200 -0.074 0.000 1.069 1045 S CB 0.729 63.938 63.200 0.015 0.000 0.828 1045 S HN 0.259 nan 8.310 nan 0.000 0.497 1046 P HA -0.152 nan 4.420 nan 0.000 0.210 1046 P C -0.092 177.368 177.300 0.266 0.000 1.151 1046 P CA 1.399 64.651 63.100 0.254 0.000 0.949 1046 P CB 0.044 32.047 31.700 0.505 0.000 0.786 1047 F N -0.334 119.712 119.950 0.159 0.000 2.335 1047 F HA 0.404 4.933 4.527 0.002 0.000 0.365 1047 F C 1.006 176.903 175.800 0.162 0.000 1.122 1047 F CA -0.457 57.617 58.000 0.122 0.000 1.151 1047 F CB -0.576 38.451 39.000 0.045 0.000 1.282 1047 F HN -0.042 nan 8.300 nan 0.000 0.513 1048 T N -1.931 112.800 114.554 0.295 0.000 2.645 1048 T HA 0.378 4.730 4.350 0.003 0.000 0.300 1048 T C -0.949 173.869 174.700 0.195 0.000 1.210 1048 T CA -0.929 61.319 62.100 0.247 0.000 1.034 1048 T CB 1.841 70.844 68.868 0.224 0.000 1.537 1048 T HN 0.079 nan 8.240 nan 0.000 0.492 1049 D N 0.757 121.254 120.400 0.162 0.000 2.973 1049 D HA 0.504 5.146 4.640 0.003 0.000 0.263 1049 D C -0.903 175.473 176.300 0.125 0.000 1.266 1049 D CA -0.056 54.022 54.000 0.129 0.000 0.975 1049 D CB -0.358 40.502 40.800 0.100 0.000 1.032 1049 D HN 0.422 nan 8.370 nan 0.000 0.510 1050 I N 0.872 121.540 120.570 0.164 0.000 2.439 1050 I HA 0.205 4.376 4.170 0.003 0.000 0.283 1050 I C -0.419 175.780 176.117 0.136 0.000 1.023 1050 I CA -0.262 61.134 61.300 0.160 0.000 1.100 1050 I CB 1.945 40.080 38.000 0.224 0.000 1.238 1050 I HN -0.160 nan 8.210 nan 0.000 0.445 1051 T N 4.469 119.057 114.554 0.058 0.000 2.861 1051 T HA 0.230 4.581 4.350 0.003 0.000 0.287 1051 T C 1.296 175.966 174.700 -0.050 0.000 1.003 1051 T CA -0.645 61.458 62.100 0.006 0.000 0.977 1051 T CB 2.416 71.300 68.868 0.027 0.000 0.996 1051 T HN 0.195 nan 8.240 nan 0.000 0.448 1052 V N 1.936 121.783 119.914 -0.111 0.000 2.252 1052 V HA -0.260 3.862 4.120 0.003 0.000 0.255 1052 V C 2.637 178.696 176.094 -0.057 0.000 1.071 1052 V CA 1.891 64.121 62.300 -0.117 0.000 1.050 1052 V CB -0.535 31.212 31.823 -0.127 0.000 0.654 1052 V HN 0.878 nan 8.190 nan 0.000 0.448 1053 E N 0.202 120.382 120.200 -0.033 0.000 2.110 1053 E HA -0.170 4.182 4.350 0.003 0.000 0.193 1053 E C 2.333 178.928 176.600 -0.008 0.000 0.988 1053 E CA 1.518 57.910 56.400 -0.013 0.000 0.804 1053 E CB -0.506 29.193 29.700 -0.002 0.000 0.745 1053 E HN 0.696 nan 8.360 nan 0.000 0.458 1054 G N 1.059 109.855 108.800 -0.007 0.000 2.421 1054 G HA2 -0.150 3.811 3.960 0.003 0.000 0.217 1054 G HA3 -0.150 3.811 3.960 0.003 0.000 0.217 1054 G C 1.567 176.457 174.900 -0.016 0.000 1.143 1054 G CA 0.101 45.200 45.100 -0.002 0.000 0.784 1054 G HN 0.100 nan 8.290 nan 0.000 0.541 1055 I N 1.623 122.176 120.570 -0.029 0.000 2.286 1055 I HA -0.065 4.107 4.170 0.003 0.000 0.245 1055 I C 2.832 178.920 176.117 -0.048 0.000 1.104 1055 I CA 0.884 62.157 61.300 -0.045 0.000 1.397 1055 I CB -1.179 36.787 38.000 -0.058 0.000 1.072 1055 I HN 0.076 nan 8.210 nan 0.000 0.417 1056 S N 0.930 116.612 115.700 -0.029 0.000 2.374 1056 S HA -0.226 4.246 4.470 0.003 0.000 0.227 1056 S C 1.975 176.570 174.600 -0.008 0.000 1.037 1056 S CA 1.453 59.648 58.200 -0.009 0.000 1.024 1056 S CB -0.210 62.994 63.200 0.006 0.000 0.861 1056 S HN 0.407 nan 8.310 nan 0.000 0.456 1057 K N 0.758 121.152 120.400 -0.011 0.000 2.103 1057 K HA -0.018 4.303 4.320 0.003 0.000 0.207 1057 K C 1.949 178.532 176.600 -0.028 0.000 1.048 1057 K CA 1.035 57.318 56.287 -0.006 0.000 0.930 1057 K CB -0.265 32.234 32.500 -0.002 0.000 0.716 1057 K HN 0.304 nan 8.250 nan 0.000 0.444 1058 L N 0.046 121.227 121.223 -0.070 0.000 2.044 1058 L HA -0.160 4.181 4.340 0.003 0.000 0.205 1058 L C 2.307 179.027 176.870 -0.250 0.000 1.075 1058 L CA 0.565 55.309 54.840 -0.161 0.000 0.747 1058 L CB -0.398 41.552 42.059 -0.183 0.000 0.903 1058 L HN 0.160 nan 8.230 nan 0.000 0.435 1059 L N 0.042 121.164 121.223 -0.168 0.000 2.083 1059 L HA -0.185 4.157 4.340 0.003 0.000 0.209 1059 L C 2.716 179.595 176.870 0.016 0.000 1.083 1059 L CA 1.531 56.297 54.840 -0.123 0.000 0.752 1059 L CB -0.554 41.466 42.059 -0.065 0.000 0.899 1059 L HN 0.110 nan 8.230 nan 0.000 0.433 1060 R N 0.528 121.051 120.500 0.038 0.000 2.088 1060 R HA -0.190 4.152 4.340 0.003 0.000 0.232 1060 R C 2.143 178.511 176.300 0.114 0.000 1.136 1060 R CA 2.094 58.247 56.100 0.088 0.000 0.926 1060 R CB -0.908 29.430 30.300 0.064 0.000 0.837 1060 R HN 0.491 nan 8.270 nan 0.000 0.429 1061 E N -0.826 119.426 120.200 0.086 0.000 2.197 1061 E HA -0.277 4.074 4.350 0.003 0.000 0.205 1061 E C 1.896 178.648 176.600 0.254 0.000 1.029 1061 E CA 1.937 58.422 56.400 0.141 0.000 0.828 1061 E CB -0.272 29.507 29.700 0.132 0.000 0.737 1061 E HN 0.650 nan 8.360 nan 0.000 0.464 1062 H N -1.638 117.467 119.070 0.058 0.000 2.535 1062 H HA 0.115 4.672 4.556 0.002 0.000 0.273 1062 H C 0.923 176.355 175.328 0.174 0.000 0.983 1062 H CA -0.005 56.085 56.048 0.071 0.000 1.238 1062 H CB 0.650 30.410 29.762 -0.003 0.000 1.412 1062 H HN 0.294 nan 8.280 nan 0.000 0.562 1063 G N 0.773 109.769 108.800 0.327 0.000 2.414 1063 G HA2 -0.230 3.732 3.960 0.003 0.000 0.256 1063 G HA3 -0.230 3.732 3.960 0.003 0.000 0.256 1063 G C -1.111 174.124 174.900 0.559 0.000 1.128 1063 G CA -0.404 44.880 45.100 0.307 0.000 0.944 1063 G HN 0.214 nan 8.290 nan 0.000 0.500 1064 Y N -0.657 119.695 120.300 0.087 0.000 2.446 1064 Y HA 0.645 5.197 4.550 0.002 0.000 0.345 1064 Y C 0.634 176.579 175.900 0.075 0.000 0.984 1064 Y CA -1.733 56.413 58.100 0.077 0.000 1.058 1064 Y CB 1.301 39.806 38.460 0.075 0.000 1.220 1064 Y HN 0.614 nan 8.280 nan 0.000 0.455 1065 Q N 0.662 120.591 119.800 0.215 0.000 2.681 1065 Q HA -0.051 4.291 4.340 0.003 0.000 0.286 1065 Q C 0.440 176.552 176.000 0.186 0.000 1.231 1065 Q CA 1.088 56.999 55.803 0.180 0.000 1.043 1065 Q CB -0.020 28.833 28.738 0.192 0.000 1.336 1065 Q HN 0.657 nan 8.270 nan 0.000 0.516 1066 S N -0.468 115.329 115.700 0.162 0.000 2.602 1066 S HA 0.365 4.837 4.470 0.003 0.000 0.240 1066 S C 0.109 174.772 174.600 0.106 0.000 0.992 1066 S CA -0.559 57.708 58.200 0.112 0.000 0.971 1066 S CB 0.189 63.439 63.200 0.083 0.000 0.855 1066 S HN 0.616 nan 8.310 nan 0.000 0.481 1067 R N -0.248 120.343 120.500 0.152 0.000 2.478 1067 R HA 0.298 4.640 4.340 0.003 0.000 0.377 1067 R C 1.053 177.399 176.300 0.077 0.000 0.853 1067 R CA 0.495 56.661 56.100 0.110 0.000 1.113 1067 R CB 0.356 30.758 30.300 0.171 0.000 1.725 1067 R HN 0.541 nan 8.270 nan 0.000 0.524 1068 G N 0.838 109.729 108.800 0.151 0.000 2.255 1068 G HA2 -0.226 3.735 3.960 0.003 0.000 0.196 1068 G HA3 -0.226 3.735 3.960 0.003 0.000 0.196 1068 G C -0.148 174.786 174.900 0.057 0.000 0.998 1068 G CA -0.564 44.618 45.100 0.136 0.000 0.656 1068 G HN 0.092 nan 8.290 nan 0.000 0.490 1069 F N 1.511 121.614 119.950 0.256 0.000 2.375 1069 F HA 0.714 5.243 4.527 0.002 0.000 0.333 1069 F C 0.765 176.635 175.800 0.116 0.000 1.104 1069 F CA -0.230 57.883 58.000 0.189 0.000 1.149 1069 F CB 1.241 40.319 39.000 0.131 0.000 1.190 1069 F HN 0.035 nan 8.300 nan 0.000 0.533 1070 E N 0.710 121.078 120.200 0.279 0.000 2.343 1070 E HA 0.273 4.625 4.350 0.003 0.000 0.286 1070 E C -1.611 174.951 176.600 -0.064 0.000 0.915 1070 E CA -0.660 55.787 56.400 0.079 0.000 0.784 1070 E CB 2.387 32.136 29.700 0.081 0.000 1.251 1070 E HN 0.236 nan 8.360 nan 0.000 0.407 1071 V N 4.610 124.434 119.914 -0.150 0.000 2.403 1071 V HA 0.102 4.223 4.120 0.003 0.000 0.265 1071 V C 0.510 176.280 176.094 -0.539 0.000 1.034 1071 V CA 0.542 62.670 62.300 -0.286 0.000 1.036 1071 V CB -0.530 31.121 31.823 -0.286 0.000 1.032 1071 V HN 0.595 nan 8.190 nan 0.000 0.478 1072 M N 4.570 123.843 119.600 -0.544 0.000 2.649 1072 M HA 0.589 5.071 4.480 0.003 0.000 0.294 1072 M C -1.137 174.660 176.300 -0.839 0.000 1.206 1072 M CA -0.599 54.285 55.300 -0.694 0.000 0.928 1072 M CB 1.914 34.224 32.600 -0.483 0.000 1.571 1072 M HN 0.468 nan 8.290 nan 0.000 0.501 1073 Y N -0.065 119.909 120.300 -0.543 0.000 2.361 1073 Y HA 0.259 4.811 4.550 0.002 0.000 0.337 1073 Y C 0.223 175.851 175.900 -0.454 0.000 0.965 1073 Y CA -1.141 56.632 58.100 -0.546 0.000 1.091 1073 Y CB 0.940 38.923 38.460 -0.794 0.000 1.182 1073 Y HN 0.592 nan 8.280 nan 0.000 0.450 1074 N N 1.962 120.669 118.700 0.011 0.000 2.374 1074 N HA -0.065 4.676 4.740 0.003 0.000 0.269 1074 N C 1.028 176.636 175.510 0.163 0.000 1.310 1074 N CA 0.859 54.006 53.050 0.163 0.000 0.877 1074 N CB 1.383 39.961 38.487 0.151 0.000 1.096 1074 N HN 1.085 nan 8.380 nan 0.000 0.484 1075 G N 3.530 112.463 108.800 0.223 0.000 2.422 1075 G HA2 -0.218 3.744 3.960 0.003 0.000 0.218 1075 G HA3 -0.218 3.744 3.960 0.003 0.000 0.218 1075 G C 1.241 176.200 174.900 0.098 0.000 1.140 1075 G CA 0.474 45.743 45.100 0.280 0.000 0.775 1075 G HN 0.753 nan 8.290 nan 0.000 0.545 1076 H N -0.253 118.902 119.070 0.143 0.000 2.352 1076 H HA -0.070 4.487 4.556 0.002 0.000 0.299 1076 H C 2.451 177.815 175.328 0.060 0.000 1.097 1076 H CA 1.791 57.874 56.048 0.059 0.000 1.311 1076 H CB -0.164 29.598 29.762 -0.000 0.000 1.377 1076 H HN 0.418 nan 8.280 nan 0.000 0.504 1077 T N -2.165 112.504 114.554 0.192 0.000 2.955 1077 T HA 0.274 4.626 4.350 0.003 0.000 0.251 1077 T C 1.405 176.165 174.700 0.100 0.000 1.002 1077 T CA 1.025 63.197 62.100 0.119 0.000 0.970 1077 T CB 0.115 69.035 68.868 0.086 0.000 1.091 1077 T HN 0.622 nan 8.240 nan 0.000 0.495 1078 G N 1.875 110.751 108.800 0.127 0.000 2.157 1078 G HA2 -0.210 3.751 3.960 0.003 0.000 0.248 1078 G HA3 -0.210 3.751 3.960 0.003 0.000 0.248 1078 G C 0.024 174.943 174.900 0.032 0.000 0.979 1078 G CA 0.418 45.576 45.100 0.097 0.000 0.650 1078 G HN 0.662 nan 8.290 nan 0.000 0.529 1079 K N 1.033 121.475 120.400 0.069 0.000 2.201 1079 K HA 0.431 4.752 4.320 0.003 0.000 0.278 1079 K C 0.716 177.400 176.600 0.141 0.000 1.027 1079 K CA -0.716 55.617 56.287 0.076 0.000 0.909 1079 K CB 0.372 32.903 32.500 0.052 0.000 1.062 1079 K HN 0.184 nan 8.250 nan 0.000 0.465 1080 K N 3.217 123.747 120.400 0.217 0.000 2.543 1080 K HA -0.091 4.231 4.320 0.003 0.000 0.279 1080 K C -0.135 176.485 176.600 0.034 0.000 1.001 1080 K CA 0.329 56.727 56.287 0.185 0.000 1.088 1080 K CB 0.225 32.810 32.500 0.142 0.000 0.863 1080 K HN 0.468 nan 8.250 nan 0.000 0.488 1081 L N 4.436 125.629 121.223 -0.049 0.000 2.380 1081 L HA -0.006 4.335 4.340 0.003 0.000 0.273 1081 L C 1.756 178.599 176.870 -0.047 0.000 1.138 1081 L CA -0.387 54.430 54.840 -0.038 0.000 0.832 1081 L CB 0.588 42.618 42.059 -0.049 0.000 1.124 1081 L HN 0.702 nan 8.230 nan 0.000 0.454 1082 M N 1.966 121.552 119.600 -0.023 0.000 2.086 1082 M HA -0.049 4.433 4.480 0.003 0.000 0.261 1082 M C 0.889 177.162 176.300 -0.046 0.000 1.067 1082 M CA 1.139 56.422 55.300 -0.028 0.000 1.116 1082 M CB -0.596 31.994 32.600 -0.017 0.000 1.348 1082 M HN 0.724 nan 8.290 nan 0.000 0.407 1083 A N 0.456 123.253 122.820 -0.039 0.000 2.295 1083 A HA 0.477 4.799 4.320 0.003 0.000 0.318 1083 A C -0.233 177.318 177.584 -0.055 0.000 1.134 1083 A CA -0.592 51.410 52.037 -0.058 0.000 0.827 1083 A CB 0.552 19.533 19.000 -0.031 0.000 1.136 1083 A HN 0.371 nan 8.150 nan 0.000 0.493 1084 Q N -0.050 119.695 119.800 -0.093 0.000 2.256 1084 Q HA 0.661 5.003 4.340 0.003 0.000 0.232 1084 Q C -0.870 175.241 176.000 0.185 0.000 0.965 1084 Q CA 0.190 55.982 55.803 -0.019 0.000 0.908 1084 Q CB 0.999 29.707 28.738 -0.051 0.000 1.209 1084 Q HN 0.610 nan 8.270 nan 0.000 0.489 1085 I N 0.951 121.675 120.570 0.255 0.000 2.433 1085 I HA 0.263 4.435 4.170 0.003 0.000 0.292 1085 I C -0.821 175.545 176.117 0.415 0.000 1.001 1085 I CA -0.935 60.562 61.300 0.329 0.000 1.119 1085 I CB 1.064 39.144 38.000 0.134 0.000 1.289 1085 I HN 0.493 nan 8.210 nan 0.000 0.438 1086 F N 7.566 127.605 119.950 0.148 0.000 2.533 1086 F HA 0.239 4.768 4.527 0.003 0.000 0.378 1086 F C -0.800 175.071 175.800 0.117 0.000 1.070 1086 F CA -0.024 57.897 58.000 -0.131 0.000 1.172 1086 F CB 0.044 38.850 39.000 -0.324 0.000 1.085 1086 F HN 0.259 nan 8.300 nan 0.000 0.552 1087 F N 6.156 125.792 119.950 -0.524 0.000 3.164 1087 F HA 0.606 5.134 4.527 0.002 0.000 0.375 1087 F C -0.533 175.036 175.800 -0.385 0.000 1.257 1087 F CA -0.490 57.314 58.000 -0.327 0.000 1.171 1087 F CB 0.710 39.644 39.000 -0.111 0.000 1.588 1087 F HN 0.575 nan 8.300 nan 0.000 0.604 1088 G N 4.190 112.541 108.800 -0.747 0.000 2.798 1088 G HA2 0.708 4.669 3.960 0.003 0.000 0.286 1088 G HA3 0.708 4.669 3.960 0.003 0.000 0.286 1088 G C -3.392 171.209 174.900 -0.499 0.000 1.389 1088 G CA -1.807 42.932 45.100 -0.603 0.000 0.894 1088 G HN 0.200 nan 8.290 nan 0.000 0.488 1089 P HA 0.435 nan 4.420 nan 0.000 0.282 1089 P C -0.884 176.317 177.300 -0.165 0.000 1.249 1089 P CA -0.111 62.862 63.100 -0.212 0.000 0.806 1089 P CB 1.673 33.288 31.700 -0.142 0.000 0.984 1090 T N 2.130 116.620 114.554 -0.106 0.000 3.237 1090 T HA 0.137 4.488 4.350 0.003 0.000 0.319 1090 T C -1.007 173.649 174.700 -0.074 0.000 1.037 1090 T CA -0.278 61.735 62.100 -0.146 0.000 1.048 1090 T CB 0.204 68.876 68.868 -0.327 0.000 1.081 1090 T HN 0.200 nan 8.240 nan 0.000 0.455 1091 Y N 3.594 123.827 120.300 -0.112 0.000 2.729 1091 Y HA 0.284 4.836 4.550 0.003 0.000 0.331 1091 Y C -0.739 175.160 175.900 -0.002 0.000 1.208 1091 Y CA 0.411 58.513 58.100 0.004 0.000 1.521 1091 Y CB 0.080 38.565 38.460 0.042 0.000 1.233 1091 Y HN 0.623 nan 8.280 nan 0.000 0.539 1092 Y N 3.959 124.122 120.300 -0.229 0.000 2.512 1092 Y HA 0.377 4.929 4.550 0.003 0.000 0.348 1092 Y C -0.468 175.443 175.900 0.018 0.000 0.990 1092 Y CA -1.199 56.892 58.100 -0.015 0.000 1.033 1092 Y CB 1.893 40.405 38.460 0.086 0.000 1.259 1092 Y HN 0.431 nan 8.280 nan 0.000 0.461 1093 Q N 2.207 122.221 119.800 0.355 0.000 2.345 1093 Q HA 0.452 4.794 4.340 0.003 0.000 0.268 1093 Q C -1.123 174.998 176.000 0.201 0.000 1.054 1093 Q CA -1.187 54.793 55.803 0.296 0.000 0.835 1093 Q CB 2.624 31.515 28.738 0.255 0.000 1.339 1093 Q HN 0.464 nan 8.270 nan 0.000 0.447 1094 R N 2.718 123.363 120.500 0.243 0.000 2.198 1094 R HA 0.362 4.703 4.340 0.003 0.000 0.339 1094 R C -0.899 175.336 176.300 -0.108 0.000 1.020 1094 R CA -0.123 55.935 56.100 -0.070 0.000 0.864 1094 R CB 0.177 30.594 30.300 0.195 0.000 1.105 1094 R HN 0.538 nan 8.270 nan 0.000 0.463 1095 L N 3.824 124.879 121.223 -0.280 0.000 2.448 1095 L HA 0.527 4.869 4.340 0.003 0.000 0.258 1095 L C 1.033 177.772 176.870 -0.218 0.000 1.104 1095 L CA -1.171 53.576 54.840 -0.154 0.000 0.800 1095 L CB 0.719 42.714 42.059 -0.106 0.000 1.241 1095 L HN 0.675 nan 8.230 nan 0.000 0.472 1096 R N -1.094 119.234 120.500 -0.287 0.000 3.074 1096 R HA 0.232 4.574 4.340 0.003 0.000 0.193 1096 R C -0.653 175.432 176.300 -0.359 0.000 0.992 1096 R CA -0.602 55.291 56.100 -0.345 0.000 1.177 1096 R CB -0.256 29.699 30.300 -0.575 0.000 0.860 1096 R HN 0.645 nan 8.270 nan 0.000 0.490 1097 H N -0.858 118.121 119.070 -0.152 0.000 3.195 1097 H HA -0.123 4.435 4.556 0.002 0.000 0.330 1097 H C -1.003 174.233 175.328 -0.154 0.000 1.015 1097 H CA 0.853 56.817 56.048 -0.140 0.000 1.043 1097 H CB -1.600 28.082 29.762 -0.133 0.000 1.581 1097 H HN 0.467 nan 8.280 nan 0.000 0.365 1098 M N 1.380 120.943 119.600 -0.062 0.000 2.508 1098 M HA 0.262 4.743 4.480 0.003 0.000 0.327 1098 M C 1.972 178.239 176.300 -0.054 0.000 1.160 1098 M CA -0.814 54.439 55.300 -0.079 0.000 0.980 1098 M CB 2.122 34.651 32.600 -0.118 0.000 1.693 1098 M HN 0.139 nan 8.290 nan 0.000 0.452 1099 V N -1.402 118.489 119.914 -0.039 0.000 2.332 1099 V HA -0.209 3.912 4.120 0.003 0.000 0.248 1099 V C 1.120 177.197 176.094 -0.028 0.000 1.055 1099 V CA 1.808 64.094 62.300 -0.023 0.000 1.038 1099 V CB -0.744 31.070 31.823 -0.014 0.000 0.651 1099 V HN 0.864 nan 8.190 nan 0.000 0.450 1100 D N 0.235 120.608 120.400 -0.045 0.000 2.378 1100 D HA -0.067 4.575 4.640 0.003 0.000 0.227 1100 D C 1.005 177.269 176.300 -0.061 0.000 1.012 1100 D CA 0.900 54.872 54.000 -0.046 0.000 0.905 1100 D CB 0.084 40.852 40.800 -0.053 0.000 0.895 1100 D HN 0.527 nan 8.370 nan 0.000 0.532 1101 D N -0.397 119.960 120.400 -0.070 0.000 2.379 1101 D HA 0.024 4.666 4.640 0.003 0.000 0.208 1101 D C 1.785 178.065 176.300 -0.033 0.000 1.065 1101 D CA 0.221 54.178 54.000 -0.073 0.000 0.848 1101 D CB 0.586 41.317 40.800 -0.115 0.000 0.949 1101 D HN 0.022 nan 8.370 nan 0.000 0.509 1102 K N 0.114 120.505 120.400 -0.015 0.000 2.329 1102 K HA 0.147 4.469 4.320 0.003 0.000 0.198 1102 K C 0.748 177.370 176.600 0.037 0.000 1.085 1102 K CA -0.156 56.135 56.287 0.006 0.000 0.961 1102 K CB 0.963 33.466 32.500 0.005 0.000 0.971 1102 K HN 0.029 nan 8.250 nan 0.000 0.502 1103 I N 3.833 124.423 120.570 0.033 0.000 2.978 1103 I HA -0.164 4.008 4.170 0.003 0.000 0.293 1103 I C 0.119 176.310 176.117 0.122 0.000 1.218 1103 I CA 0.927 62.259 61.300 0.054 0.000 1.393 1103 I CB -1.409 36.606 38.000 0.025 0.000 1.394 1103 I HN 0.158 nan 8.210 nan 0.000 0.541 1104 H N 5.499 124.565 119.070 -0.007 0.000 2.771 1104 H HA 0.798 5.355 4.556 0.002 0.000 0.361 1104 H C -1.263 174.064 175.328 -0.002 0.000 1.108 1104 H CA -0.725 55.321 56.048 -0.005 0.000 1.201 1104 H CB 1.834 31.594 29.762 -0.003 0.000 1.681 1104 H HN 0.677 nan 8.280 nan 0.000 0.534 1105 A N 4.593 127.137 122.820 -0.460 0.000 2.549 1105 A HA 0.704 5.026 4.320 0.003 0.000 0.297 1105 A C -1.268 176.060 177.584 -0.426 0.000 1.061 1105 A CA -0.824 50.968 52.037 -0.408 0.000 0.690 1105 A CB 1.634 20.535 19.000 -0.165 0.000 1.287 1105 A HN 0.766 nan 8.150 nan 0.000 0.402 1106 R N 0.892 121.207 120.500 -0.309 0.000 2.673 1106 R HA 0.737 5.079 4.340 0.003 0.000 0.281 1106 R C -0.960 175.283 176.300 -0.094 0.000 0.991 1106 R CA 0.078 56.078 56.100 -0.167 0.000 0.896 1106 R CB 1.977 32.203 30.300 -0.124 0.000 1.201 1106 R HN 1.379 nan 8.270 nan 0.000 0.457 1107 A N 4.428 127.211 122.820 -0.061 0.000 3.365 1107 A HA 0.403 4.724 4.320 0.003 0.000 0.258 1107 A C -0.599 176.963 177.584 -0.035 0.000 0.964 1107 A CA -0.377 51.633 52.037 -0.045 0.000 0.988 1107 A CB 0.155 19.131 19.000 -0.040 0.000 1.193 1107 A HN 0.896 nan 8.150 nan 0.000 0.508 1108 R N -0.853 119.627 120.500 -0.033 0.000 1.000 1108 R HA 0.009 4.351 4.340 0.003 0.000 0.430 1108 R C -0.001 176.284 176.300 -0.025 0.000 1.348 1108 R CA 0.709 56.792 56.100 -0.028 0.000 0.950 1108 R CB -1.052 29.232 30.300 -0.027 0.000 3.022 1108 R HN 1.750 nan 8.270 nan 0.000 0.515 1109 G N 3.717 112.504 108.800 -0.021 0.000 2.726 1109 G HA2 0.575 4.536 3.960 0.003 0.000 0.198 1109 G HA3 0.575 4.536 3.960 0.003 0.000 0.198 1109 G C -2.850 172.037 174.900 -0.022 0.000 1.195 1109 G CA -0.333 44.754 45.100 -0.021 0.000 0.951 1109 G HN 0.516 nan 8.290 nan 0.000 0.532 1110 P HA 0.456 nan 4.420 nan 0.000 0.275 1110 P C -0.939 176.348 177.300 -0.022 0.000 1.227 1110 P CA 0.285 63.373 63.100 -0.020 0.000 0.781 1110 P CB 1.146 32.837 31.700 -0.014 0.000 0.906 1111 M N 1.186 120.766 119.600 -0.034 0.000 2.457 1111 M HA 0.254 4.736 4.480 0.003 0.000 0.300 1111 M C 0.095 176.364 176.300 -0.051 0.000 1.141 1111 M CA -0.772 54.502 55.300 -0.044 0.000 0.901 1111 M CB 2.785 35.347 32.600 -0.063 0.000 1.687 1111 M HN 0.296 nan 8.290 nan 0.000 0.449 1112 Q N 0.937 120.710 119.800 -0.044 0.000 2.361 1112 Q HA 0.069 4.410 4.340 0.003 0.000 0.276 1112 Q C 1.075 177.033 176.000 -0.070 0.000 1.022 1112 Q CA -0.247 55.532 55.803 -0.041 0.000 0.898 1112 Q CB 0.995 29.720 28.738 -0.022 0.000 1.246 1112 Q HN 0.699 nan 8.270 nan 0.000 0.410 1113 V N 0.618 120.496 119.914 -0.060 0.000 2.871 1113 V HA -0.156 3.966 4.120 0.003 0.000 0.256 1113 V C 1.610 177.660 176.094 -0.074 0.000 1.082 1113 V CA 0.838 63.088 62.300 -0.084 0.000 1.105 1113 V CB -0.523 31.269 31.823 -0.053 0.000 0.713 1113 V HN 0.622 nan 8.190 nan 0.000 0.473 1114 L N 2.142 123.353 121.223 -0.019 0.000 2.072 1114 L HA 0.011 4.352 4.340 0.003 0.000 0.205 1114 L C 2.358 179.305 176.870 0.129 0.000 1.079 1114 L CA 2.669 57.536 54.840 0.045 0.000 0.752 1114 L CB -0.555 41.526 42.059 0.035 0.000 0.906 1114 L HN 0.650 nan 8.230 nan 0.000 0.436 1115 T N -5.042 109.544 114.554 0.054 0.000 3.040 1115 T HA 0.172 4.524 4.350 0.003 0.000 0.266 1115 T C 0.689 175.378 174.700 -0.018 0.000 1.005 1115 T CA -0.436 61.739 62.100 0.125 0.000 0.906 1115 T CB 0.089 68.995 68.868 0.064 0.000 1.082 1115 T HN 0.216 nan 8.240 nan 0.000 0.531 1116 R N 1.131 121.477 120.500 -0.256 0.000 3.610 1116 R HA -0.148 4.193 4.340 0.003 0.000 0.274 1116 R C -0.578 175.645 176.300 -0.128 0.000 1.123 1116 R CA 0.621 56.542 56.100 -0.299 0.000 0.747 1116 R CB -2.634 27.340 30.300 -0.544 0.000 1.149 1116 R HN 0.680 nan 8.270 nan 0.000 0.471 1117 Q N 0.051 119.810 119.800 -0.068 0.000 2.342 1117 Q HA 0.420 4.762 4.340 0.003 0.000 0.267 1117 Q C -2.365 173.619 176.000 -0.027 0.000 1.038 1117 Q CA -2.307 53.476 55.803 -0.033 0.000 0.832 1117 Q CB 2.067 30.801 28.738 -0.007 0.000 1.323 1117 Q HN -0.162 nan 8.270 nan 0.000 0.448 1118 P HA -0.157 nan 4.420 nan 0.000 0.265 1118 P C -0.654 176.648 177.300 0.004 0.000 1.167 1118 P CA 0.304 63.401 63.100 -0.005 0.000 0.760 1118 P CB 0.228 31.932 31.700 0.007 0.000 0.783 1119 V N 0.510 120.428 119.914 0.006 0.000 2.732 1119 V HA 0.271 4.393 4.120 0.003 0.000 0.297 1119 V C 0.452 176.554 176.094 0.014 0.000 1.060 1119 V CA -0.611 61.692 62.300 0.006 0.000 1.038 1119 V CB 0.628 32.451 31.823 0.001 0.000 1.003 1119 V HN 0.461 nan 8.190 nan 0.000 0.481 1120 E N 2.229 122.433 120.200 0.007 0.000 2.404 1120 E HA 0.475 4.827 4.350 0.003 0.000 0.261 1120 E C 0.504 177.097 176.600 -0.013 0.000 1.074 1120 E CA 0.664 57.066 56.400 0.004 0.000 0.917 1120 E CB 0.765 30.466 29.700 0.001 0.000 0.965 1120 E HN 1.714 nan 8.360 nan 0.000 0.433 1121 G N 2.179 110.961 108.800 -0.030 0.000 2.764 1121 G HA2 -0.282 3.680 3.960 0.003 0.000 0.686 1121 G HA3 -0.282 3.680 3.960 0.003 0.000 0.686 1121 G C 0.349 175.149 174.900 -0.166 0.000 1.258 1121 G CA 0.240 45.291 45.100 -0.080 0.000 0.846 1121 G HN 0.788 nan 8.290 nan 0.000 0.596 1122 R N 0.817 121.123 120.500 -0.324 0.000 2.189 1122 R HA 0.055 4.396 4.340 0.003 0.000 0.218 1122 R C 2.477 178.626 176.300 -0.252 0.000 1.074 1122 R CA 1.962 57.702 56.100 -0.600 0.000 0.991 1122 R CB -0.386 29.444 30.300 -0.783 0.000 0.883 1122 R HN 0.473 nan 8.270 nan 0.000 0.457 1123 S N 1.262 116.880 115.700 -0.138 0.000 2.390 1123 S HA -0.183 4.289 4.470 0.003 0.000 0.234 1123 S C 0.708 175.289 174.600 -0.032 0.000 1.063 1123 S CA 2.084 60.249 58.200 -0.059 0.000 1.108 1123 S CB -0.210 62.970 63.200 -0.034 0.000 0.975 1123 S HN 0.497 nan 8.310 nan 0.000 0.442 1124 R N 1.654 122.136 120.500 -0.030 0.000 3.585 1124 R HA 0.443 4.785 4.340 0.003 0.000 0.324 1124 R C -0.810 175.497 176.300 0.011 0.000 1.372 1124 R CA -0.748 55.348 56.100 -0.007 0.000 1.291 1124 R CB -1.685 28.613 30.300 -0.003 0.000 1.470 1124 R HN 0.127 nan 8.270 nan 0.000 0.633 1125 D N 0.293 120.712 120.400 0.031 0.000 2.810 1125 D HA -0.163 4.478 4.640 0.003 0.000 0.224 1125 D C 0.277 176.665 176.300 0.146 0.000 1.222 1125 D CA 1.412 55.495 54.000 0.137 0.000 0.698 1125 D CB -0.581 40.267 40.800 0.080 0.000 0.961 1125 D HN 0.631 nan 8.370 nan 0.000 0.403 1126 G N 0.071 108.952 108.800 0.135 0.000 2.543 1126 G HA2 0.655 4.616 3.960 0.003 0.000 0.290 1126 G HA3 0.655 4.616 3.960 0.003 0.000 0.290 1126 G C 0.615 175.664 174.900 0.249 0.000 1.310 1126 G CA -0.296 44.877 45.100 0.122 0.000 1.025 1126 G HN 0.482 nan 8.290 nan 0.000 0.502 1127 G N -1.789 107.099 108.800 0.145 0.000 2.521 1127 G HA2 0.548 4.510 3.960 0.003 0.000 0.323 1127 G HA3 0.548 4.510 3.960 0.003 0.000 0.323 1127 G C -0.804 174.180 174.900 0.139 0.000 1.211 1127 G CA -0.804 44.370 45.100 0.123 0.000 0.979 1127 G HN 0.528 nan 8.290 nan 0.000 0.490 1128 L N -0.064 121.224 121.223 0.108 0.000 2.334 1128 L HA 0.498 4.839 4.340 0.003 0.000 0.275 1128 L C 0.826 177.758 176.870 0.103 0.000 1.036 1128 L CA -0.782 54.123 54.840 0.109 0.000 0.807 1128 L CB 1.767 43.890 42.059 0.107 0.000 1.231 1128 L HN 0.438 nan 8.230 nan 0.000 0.438 1129 R N 1.751 122.305 120.500 0.089 0.000 2.298 1129 R HA 0.186 4.527 4.340 0.003 0.000 0.310 1129 R C -1.102 175.272 176.300 0.123 0.000 1.068 1129 R CA -0.333 55.822 56.100 0.090 0.000 0.957 1129 R CB 0.444 30.773 30.300 0.049 0.000 1.003 1129 R HN 0.445 nan 8.270 nan 0.000 0.454 1130 F N 4.824 124.773 119.950 -0.002 0.000 2.329 1130 F HA 0.363 4.892 4.527 0.002 0.000 0.362 1130 F C 0.495 176.293 175.800 -0.003 0.000 1.113 1130 F CA -0.302 57.696 58.000 -0.004 0.000 1.212 1130 F CB 0.571 39.555 39.000 -0.026 0.000 1.509 1130 F HN 0.653 nan 8.300 nan 0.000 0.546 1131 G N 3.066 111.762 108.800 -0.175 0.000 2.636 1131 G HA2 -0.001 3.961 3.960 0.003 0.000 0.246 1131 G HA3 -0.001 3.961 3.960 0.003 0.000 0.246 1131 G C 0.805 175.643 174.900 -0.102 0.000 1.216 1131 G CA -0.315 44.728 45.100 -0.096 0.000 0.854 1131 G HN 0.693 nan 8.290 nan 0.000 0.572 1132 E N 0.360 120.538 120.200 -0.037 0.000 2.130 1132 E HA -0.219 4.132 4.350 0.003 0.000 0.196 1132 E C 2.224 178.798 176.600 -0.043 0.000 0.998 1132 E CA 1.173 57.562 56.400 -0.017 0.000 0.806 1132 E CB -0.052 29.647 29.700 -0.002 0.000 0.738 1132 E HN 0.592 nan 8.360 nan 0.000 0.459 1133 M N 0.228 119.789 119.600 -0.065 0.000 2.229 1133 M HA -0.170 4.312 4.480 0.003 0.000 0.264 1133 M C 1.491 177.722 176.300 -0.115 0.000 1.063 1133 M CA 1.434 56.693 55.300 -0.069 0.000 1.114 1133 M CB 0.191 32.754 32.600 -0.061 0.000 1.387 1133 M HN -0.036 nan 8.290 nan 0.000 0.420 1134 E N -0.174 119.886 120.200 -0.232 0.000 2.112 1134 E HA -0.119 4.232 4.350 0.003 0.000 0.190 1134 E C 1.898 178.292 176.600 -0.344 0.000 0.979 1134 E CA 0.846 56.994 56.400 -0.420 0.000 0.814 1134 E CB -0.292 28.889 29.700 -0.865 0.000 0.762 1134 E HN 0.396 nan 8.360 nan 0.000 0.460 1135 R N 0.996 121.382 120.500 -0.191 0.000 2.094 1135 R HA -0.211 4.131 4.340 0.003 0.000 0.239 1135 R C 1.111 177.473 176.300 0.104 0.000 1.137 1135 R CA 2.012 58.185 56.100 0.120 0.000 0.943 1135 R CB -0.298 30.081 30.300 0.133 0.000 0.850 1135 R HN 0.124 nan 8.270 nan 0.000 0.433 1136 D N 0.215 120.640 120.400 0.041 0.000 2.172 1136 D HA -0.187 4.454 4.640 0.003 0.000 0.196 1136 D C 1.927 178.272 176.300 0.076 0.000 0.999 1136 D CA 1.515 55.545 54.000 0.049 0.000 0.856 1136 D CB -0.508 40.304 40.800 0.020 0.000 0.934 1136 D HN 0.413 nan 8.370 nan 0.000 0.453 1137 C N 0.182 119.529 119.300 0.078 0.000 2.446 1137 C HA 0.029 4.490 4.460 0.003 0.000 0.279 1137 C C 2.471 177.630 174.990 0.282 0.000 1.366 1137 C CA 0.063 59.168 59.018 0.145 0.000 1.763 1137 C CB -0.613 27.197 27.740 0.116 0.000 1.929 1137 C HN 0.279 nan 8.230 nan 0.000 0.509 1138 M N 0.745 120.499 119.600 0.257 0.000 2.388 1138 M HA 0.120 4.601 4.480 0.003 0.000 0.265 1138 M C 1.926 178.381 176.300 0.258 0.000 1.088 1138 M CA 1.022 56.505 55.300 0.305 0.000 1.134 1138 M CB -1.037 31.802 32.600 0.398 0.000 1.384 1138 M HN 0.364 nan 8.290 nan 0.000 0.447 1139 I N -0.028 120.656 120.570 0.190 0.000 2.252 1139 I HA -0.226 3.946 4.170 0.003 0.000 0.245 1139 I C 2.538 178.723 176.117 0.114 0.000 1.102 1139 I CA 1.053 62.434 61.300 0.134 0.000 1.385 1139 I CB -0.736 37.322 38.000 0.096 0.000 1.064 1139 I HN 0.191 nan 8.210 nan 0.000 0.414 1140 A N 0.606 123.489 122.820 0.104 0.000 1.892 1140 A HA -0.298 4.023 4.320 0.003 0.000 0.218 1140 A C 2.051 179.634 177.584 -0.002 0.000 1.188 1140 A CA 2.125 54.177 52.037 0.025 0.000 0.631 1140 A CB -1.224 17.762 19.000 -0.024 0.000 0.822 1140 A HN 0.479 nan 8.150 nan 0.000 0.447 1141 H N -1.519 117.577 119.070 0.043 0.000 2.546 1141 H HA 0.253 4.810 4.556 0.003 0.000 0.277 1141 H C 1.719 177.069 175.328 0.036 0.000 1.004 1141 H CA 1.042 57.111 56.048 0.034 0.000 1.231 1141 H CB -0.021 29.763 29.762 0.037 0.000 1.382 1141 H HN 0.712 nan 8.280 nan 0.000 0.580 1142 G N -0.274 108.620 108.800 0.158 0.000 2.184 1142 G HA2 -0.320 3.642 3.960 0.003 0.000 0.264 1142 G HA3 -0.320 3.642 3.960 0.003 0.000 0.264 1142 G C 0.535 175.502 174.900 0.112 0.000 0.975 1142 G CA 0.229 45.392 45.100 0.106 0.000 0.642 1142 G HN 0.680 nan 8.290 nan 0.000 0.536 1143 A N 0.101 123.010 122.820 0.149 0.000 2.544 1143 A HA 0.782 5.104 4.320 0.003 0.000 0.301 1143 A C 1.418 179.099 177.584 0.162 0.000 1.368 1143 A CA 1.112 53.233 52.037 0.140 0.000 1.045 1143 A CB 0.194 19.265 19.000 0.118 0.000 1.129 1143 A HN 1.672 nan 8.150 nan 0.000 0.540 1144 A N 1.696 124.585 122.820 0.115 0.000 2.063 1144 A HA 0.152 4.474 4.320 0.003 0.000 0.211 1144 A C 2.168 179.797 177.584 0.076 0.000 1.177 1144 A CA 1.248 53.340 52.037 0.092 0.000 0.759 1144 A CB -0.230 18.809 19.000 0.065 0.000 0.857 1144 A HN 0.614 nan 8.150 nan 0.000 0.468 1145 S N -0.795 114.957 115.700 0.086 0.000 2.423 1145 S HA -0.078 4.393 4.470 0.003 0.000 0.231 1145 S C 1.511 176.167 174.600 0.094 0.000 1.014 1145 S CA 1.283 59.524 58.200 0.068 0.000 0.965 1145 S CB -0.404 62.834 63.200 0.063 0.000 0.785 1145 S HN 0.635 nan 8.310 nan 0.000 0.495 1146 F N 1.725 121.654 119.950 -0.035 0.000 2.187 1146 F HA 0.173 4.701 4.527 0.002 0.000 0.295 1146 F C 1.733 177.475 175.800 -0.096 0.000 1.091 1146 F CA 0.692 58.653 58.000 -0.065 0.000 1.308 1146 F CB -0.423 38.542 39.000 -0.059 0.000 1.030 1146 F HN 0.105 nan 8.300 nan 0.000 0.487 1147 L N 0.485 121.604 121.223 -0.175 0.000 2.141 1147 L HA -0.183 4.159 4.340 0.003 0.000 0.209 1147 L C 2.531 179.263 176.870 -0.229 0.000 1.094 1147 L CA 1.443 56.126 54.840 -0.262 0.000 0.763 1147 L CB -0.523 41.517 42.059 -0.032 0.000 0.908 1147 L HN 0.126 nan 8.230 nan 0.000 0.437 1148 K N -0.238 120.082 120.400 -0.134 0.000 2.228 1148 K HA -0.218 4.104 4.320 0.003 0.000 0.202 1148 K C 1.904 178.413 176.600 -0.152 0.000 1.051 1148 K CA 1.207 57.429 56.287 -0.109 0.000 0.960 1148 K CB 0.111 32.581 32.500 -0.050 0.000 0.743 1148 K HN 0.411 nan 8.250 nan 0.000 0.458 1149 E N 0.307 120.390 120.200 -0.195 0.000 2.072 1149 E HA -0.127 4.224 4.350 0.003 0.000 0.190 1149 E C 1.783 178.204 176.600 -0.298 0.000 0.982 1149 E CA 0.642 56.922 56.400 -0.199 0.000 0.803 1149 E CB 0.240 29.856 29.700 -0.140 0.000 0.755 1149 E HN 0.099 nan 8.360 nan 0.000 0.453 1150 R N -0.129 120.062 120.500 -0.513 0.000 2.276 1150 R HA -0.005 4.336 4.340 0.003 0.000 0.203 1150 R C 1.298 177.371 176.300 -0.379 0.000 1.017 1150 R CA 0.438 56.187 56.100 -0.584 0.000 1.010 1150 R CB 0.085 29.740 30.300 -1.075 0.000 0.900 1150 R HN 0.222 nan 8.270 nan 0.000 0.469 1151 L N -1.017 120.046 121.223 -0.268 0.000 2.766 1151 L HA 0.209 4.551 4.340 0.003 0.000 0.242 1151 L C 1.470 178.281 176.870 -0.098 0.000 1.136 1151 L CA 0.391 55.137 54.840 -0.156 0.000 0.933 1151 L CB 0.354 42.344 42.059 -0.115 0.000 1.241 1151 L HN -0.052 nan 8.230 nan 0.000 0.522 1152 M N -1.957 117.577 119.600 -0.110 0.000 2.741 1152 M HA 0.192 4.674 4.480 0.003 0.000 0.211 1152 M C 1.714 177.970 176.300 -0.073 0.000 1.811 1152 M CA 0.718 55.976 55.300 -0.069 0.000 1.185 1152 M CB -0.159 32.399 32.600 -0.071 0.000 1.320 1152 M HN 0.012 nan 8.290 nan 0.000 0.583 1153 E N 1.301 121.443 120.200 -0.098 0.000 2.028 1153 E HA 0.076 4.427 4.350 0.003 0.000 0.191 1153 E C 0.956 177.510 176.600 -0.077 0.000 0.988 1153 E CA 0.869 57.218 56.400 -0.084 0.000 0.799 1153 E CB 0.036 29.684 29.700 -0.086 0.000 0.755 1153 E HN 0.390 nan 8.360 nan 0.000 0.447 1154 A N 0.640 123.398 122.820 -0.104 0.000 2.267 1154 A HA 0.355 4.677 4.320 0.003 0.000 0.271 1154 A C 0.879 178.413 177.584 -0.084 0.000 1.131 1154 A CA 0.297 52.277 52.037 -0.095 0.000 0.818 1154 A CB 0.780 19.704 19.000 -0.128 0.000 1.118 1154 A HN 0.190 nan 8.150 nan 0.000 0.501 1155 S N -0.801 114.859 115.700 -0.066 0.000 4.139 1155 S HA -0.248 4.224 4.470 0.003 0.000 0.603 1155 S C -0.127 174.454 174.600 -0.031 0.000 1.897 1155 S CA 1.929 60.101 58.200 -0.046 0.000 4.241 1155 S CB -1.968 61.202 63.200 -0.051 0.000 0.221 1155 S HN 1.904 nan 8.310 nan 0.000 0.488 1156 D N 2.051 122.443 120.400 -0.015 0.000 2.498 1156 D HA 0.731 5.373 4.640 0.003 0.000 0.247 1156 D C -0.504 175.826 176.300 0.051 0.000 1.070 1156 D CA 0.141 54.151 54.000 0.017 0.000 0.842 1156 D CB 1.378 42.203 40.800 0.042 0.000 1.361 1156 D HN 1.149 nan 8.370 nan 0.000 0.484 1157 A N 1.236 124.114 122.820 0.097 0.000 2.449 1157 A HA 0.713 5.034 4.320 0.003 0.000 0.302 1157 A C -1.869 175.899 177.584 0.306 0.000 1.048 1157 A CA -0.798 51.328 52.037 0.149 0.000 0.708 1157 A CB 1.591 20.631 19.000 0.067 0.000 1.274 1157 A HN 0.452 nan 8.150 nan 0.000 0.410 1158 F N 1.165 121.188 119.950 0.122 0.000 2.631 1158 F HA 0.656 5.184 4.527 0.002 0.000 0.308 1158 F C -0.329 175.521 175.800 0.084 0.000 1.097 1158 F CA -0.774 57.292 58.000 0.110 0.000 0.952 1158 F CB 1.888 40.975 39.000 0.145 0.000 1.307 1158 F HN 0.523 nan 8.300 nan 0.000 0.450 1159 R N 4.921 124.989 120.500 -0.720 0.000 2.335 1159 R HA 0.566 4.907 4.340 0.003 0.000 0.302 1159 R C -1.487 174.316 176.300 -0.828 0.000 1.147 1159 R CA -0.077 55.652 56.100 -0.619 0.000 1.111 1159 R CB 0.412 30.433 30.300 -0.464 0.000 1.122 1159 R HN 0.567 nan 8.270 nan 0.000 0.557 1160 V N 2.228 121.827 119.914 -0.526 0.000 3.653 1160 V HA 0.471 4.592 4.120 0.003 0.000 0.281 1160 V C -0.418 175.584 176.094 -0.153 0.000 1.132 1160 V CA -0.721 61.352 62.300 -0.378 0.000 0.915 1160 V CB 1.155 32.918 31.823 -0.101 0.000 1.241 1160 V HN 0.603 nan 8.190 nan 0.000 0.441 1161 H N -0.069 118.902 119.070 -0.164 0.000 3.240 1161 H HA 0.574 5.132 4.556 0.003 0.000 0.329 1161 H C -1.241 174.010 175.328 -0.129 0.000 1.024 1161 H CA -0.506 55.424 56.048 -0.197 0.000 1.487 1161 H CB 0.973 30.551 29.762 -0.307 0.000 1.909 1161 H HN 0.431 nan 8.280 nan 0.000 0.465 1162 I N 1.481 122.047 120.570 -0.007 0.000 2.493 1162 I HA 0.211 4.383 4.170 0.003 0.000 0.298 1162 I C 0.384 176.478 176.117 -0.038 0.000 0.998 1162 I CA -0.815 60.474 61.300 -0.018 0.000 1.137 1162 I CB 1.772 39.766 38.000 -0.009 0.000 1.310 1162 I HN 0.502 nan 8.210 nan 0.000 0.445 1163 C N 5.062 124.333 119.300 -0.047 0.000 2.576 1163 C HA 0.316 4.778 4.460 0.003 0.000 0.401 1163 C C 1.835 176.812 174.990 -0.022 0.000 1.314 1163 C CA -0.070 58.924 59.018 -0.040 0.000 1.855 1163 C CB -0.335 27.381 27.740 -0.040 0.000 2.537 1163 C HN 1.046 nan 8.230 nan 0.000 0.578 1164 G N 5.486 114.313 108.800 0.044 0.000 2.422 1164 G HA2 -0.105 3.856 3.960 0.003 0.000 0.218 1164 G HA3 -0.105 3.856 3.960 0.003 0.000 0.218 1164 G C 1.193 176.122 174.900 0.047 0.000 1.146 1164 G CA 1.117 46.293 45.100 0.128 0.000 0.769 1164 G HN 0.753 nan 8.290 nan 0.000 0.547 1165 I N 1.434 122.019 120.570 0.025 0.000 2.330 1165 I HA -0.070 4.102 4.170 0.003 0.000 0.229 1165 I C 3.137 179.245 176.117 -0.015 0.000 1.063 1165 I CA 1.003 62.322 61.300 0.030 0.000 1.367 1165 I CB -1.759 36.259 38.000 0.029 0.000 1.158 1165 I HN 0.306 nan 8.210 nan 0.000 0.411 1166 c N 1.029 119.612 118.600 -0.029 0.000 2.419 1166 c HA 0.258 4.830 4.570 0.003 0.000 0.283 1166 c C 2.095 176.121 174.090 -0.107 0.000 1.373 1166 c CA 0.129 56.433 56.329 -0.041 0.000 1.781 1166 c CB -1.331 41.165 42.510 -0.022 0.000 1.886 1166 c HN 0.865 nan 8.230 nan 0.000 0.520 1167 G N 0.592 109.283 108.800 -0.182 0.000 2.253 1167 G HA2 -0.243 3.718 3.960 0.003 0.000 0.251 1167 G HA3 -0.243 3.718 3.960 0.003 0.000 0.251 1167 G C 0.139 174.919 174.900 -0.200 0.000 0.998 1167 G CA 0.536 45.446 45.100 -0.317 0.000 0.621 1167 G HN 0.553 nan 8.290 nan 0.000 0.524 1168 L N -0.445 120.709 121.223 -0.114 0.000 2.891 1168 L HA 0.724 5.066 4.340 0.003 0.000 0.216 1168 L C 1.299 178.151 176.870 -0.030 0.000 1.209 1168 L CA -0.934 53.864 54.840 -0.070 0.000 0.957 1168 L CB 0.353 42.384 42.059 -0.047 0.000 1.876 1168 L HN 0.079 nan 8.230 nan 0.000 0.532 1169 M N -0.036 119.565 119.600 0.002 0.000 2.628 1169 M HA 0.224 4.706 4.480 0.003 0.000 0.327 1169 M C -0.356 175.956 176.300 0.020 0.000 1.223 1169 M CA -0.086 55.228 55.300 0.024 0.000 1.221 1169 M CB 0.600 33.234 32.600 0.056 0.000 1.202 1169 M HN 0.536 nan 8.290 nan 0.000 0.473 1170 T N -1.374 113.185 114.554 0.009 0.000 2.964 1170 T HA 0.128 4.480 4.350 0.003 0.000 0.249 1170 T C 0.724 175.434 174.700 0.017 0.000 1.000 1170 T CA -0.083 62.024 62.100 0.012 0.000 0.992 1170 T CB 0.396 69.267 68.868 0.005 0.000 1.087 1170 T HN 0.336 nan 8.240 nan 0.000 0.489 1171 V N 3.698 123.615 119.914 0.006 0.000 2.539 1171 V HA 0.038 4.160 4.120 0.003 0.000 0.300 1171 V C 0.274 176.385 176.094 0.028 0.000 1.019 1171 V CA 0.141 62.444 62.300 0.004 0.000 1.160 1171 V CB -0.644 31.142 31.823 -0.062 0.000 0.901 1171 V HN 0.399 nan 8.190 nan 0.000 0.481 1172 I N 4.443 125.049 120.570 0.060 0.000 2.337 1172 I HA 0.324 4.496 4.170 0.003 0.000 0.291 1172 I C 0.989 177.188 176.117 0.137 0.000 1.046 1172 I CA -0.088 61.261 61.300 0.081 0.000 1.324 1172 I CB 1.024 39.070 38.000 0.077 0.000 1.409 1172 I HN 0.710 nan 8.210 nan 0.000 0.494 1173 A N 7.218 130.106 122.820 0.114 0.000 3.030 1173 A HA 0.122 4.444 4.320 0.003 0.000 0.273 1173 A C 0.543 178.274 177.584 0.244 0.000 1.841 1173 A CA -0.283 51.855 52.037 0.168 0.000 1.479 1173 A CB -0.788 18.240 19.000 0.047 0.000 1.048 1173 A HN 0.696 nan 8.150 nan 0.000 0.612 1174 K N 2.163 122.760 120.400 0.327 0.000 2.480 1174 K HA 0.256 4.577 4.320 0.003 0.000 0.241 1174 K C -0.333 176.436 176.600 0.282 0.000 1.261 1174 K CA -0.014 56.425 56.287 0.254 0.000 1.193 1174 K CB -0.165 32.438 32.500 0.171 0.000 1.598 1174 K HN 0.624 nan 8.250 nan 0.000 0.278 1175 L N 0.883 122.270 121.223 0.273 0.000 2.476 1175 L HA -0.022 4.320 4.340 0.003 0.000 0.255 1175 L C 1.389 178.302 176.870 0.071 0.000 1.218 1175 L CA 0.216 55.182 54.840 0.211 0.000 0.819 1175 L CB 0.153 42.321 42.059 0.182 0.000 1.119 1175 L HN 0.597 nan 8.230 nan 0.000 0.485 1176 N N -0.917 117.769 118.700 -0.023 0.000 2.946 1176 N HA -0.266 4.476 4.740 0.003 0.000 0.223 1176 N C 0.735 176.037 175.510 -0.347 0.000 0.850 1176 N CA 1.849 54.785 53.050 -0.190 0.000 1.057 1176 N CB -0.788 37.547 38.487 -0.252 0.000 1.020 1176 N HN 0.754 nan 8.380 nan 0.000 0.616 1177 H N -0.668 118.392 119.070 -0.018 0.000 2.755 1177 H HA 0.321 4.879 4.556 0.003 0.000 0.273 1177 H C 0.751 176.011 175.328 -0.114 0.000 1.055 1177 H CA 0.404 56.424 56.048 -0.047 0.000 1.191 1177 H CB 0.268 30.015 29.762 -0.026 0.000 1.536 1177 H HN 0.335 nan 8.280 nan 0.000 0.529 1178 N N 1.010 119.650 118.700 -0.100 0.000 2.900 1178 N HA -0.202 4.539 4.740 0.003 0.000 0.240 1178 N C -0.249 174.914 175.510 -0.580 0.000 0.953 1178 N CA 0.679 53.530 53.050 -0.332 0.000 0.950 1178 N CB -0.559 37.788 38.487 -0.233 0.000 1.102 1178 N HN 0.515 nan 8.380 nan 0.000 0.593 1179 Q N -0.732 118.884 119.800 -0.306 0.000 2.259 1179 Q HA 0.280 4.621 4.340 0.003 0.000 0.249 1179 Q C -0.036 175.912 176.000 -0.087 0.000 0.914 1179 Q CA 0.107 55.777 55.803 -0.221 0.000 0.904 1179 Q CB 0.451 29.165 28.738 -0.040 0.000 1.213 1179 Q HN 0.151 nan 8.270 nan 0.000 0.428 1180 F N 0.114 120.056 119.950 -0.014 0.000 2.817 1180 F HA 0.088 4.616 4.527 0.002 0.000 0.319 1180 F C 0.094 175.880 175.800 -0.024 0.000 1.136 1180 F CA -0.684 57.303 58.000 -0.023 0.000 1.177 1180 F CB 0.290 39.244 39.000 -0.077 0.000 1.088 1180 F HN 0.508 nan 8.300 nan 0.000 0.520 1181 E N 0.335 120.618 120.200 0.137 0.000 2.351 1181 E HA -0.081 4.271 4.350 0.003 0.000 0.241 1181 E C 0.200 176.837 176.600 0.061 0.000 1.243 1181 E CA 0.002 56.444 56.400 0.070 0.000 0.963 1181 E CB -0.096 29.624 29.700 0.032 0.000 1.042 1181 E HN 0.249 nan 8.360 nan 0.000 0.468 1182 C N 5.480 124.811 119.300 0.052 0.000 2.383 1182 C HA 0.151 4.613 4.460 0.003 0.000 0.350 1182 C C 0.608 175.610 174.990 0.020 0.000 1.173 1182 C CA -0.589 58.447 59.018 0.031 0.000 1.645 1182 C CB -0.904 26.847 27.740 0.018 0.000 2.221 1182 C HN 0.815 nan 8.230 nan 0.000 0.528 1183 K N 4.144 124.556 120.400 0.019 0.000 2.168 1183 K HA 0.519 4.840 4.320 0.003 0.000 0.258 1183 K C 1.346 177.953 176.600 0.011 0.000 1.010 1183 K CA 0.879 57.174 56.287 0.014 0.000 0.929 1183 K CB 0.527 33.035 32.500 0.013 0.000 0.998 1183 K HN 1.103 nan 8.250 nan 0.000 0.479 1184 G N 1.216 110.022 108.800 0.009 0.000 2.812 1184 G HA2 -0.323 3.638 3.960 0.003 0.000 0.219 1184 G HA3 -0.323 3.638 3.960 0.003 0.000 0.219 1184 G C 1.029 175.933 174.900 0.008 0.000 1.275 1184 G CA 0.212 45.317 45.100 0.008 0.000 0.769 1184 G HN 0.664 nan 8.290 nan 0.000 0.527 1185 c N 2.024 120.628 118.600 0.008 0.000 2.618 1185 c HA 0.372 4.943 4.570 0.003 0.000 0.264 1185 c C 0.892 174.987 174.090 0.008 0.000 1.334 1185 c CA -0.018 56.316 56.329 0.008 0.000 1.731 1185 c CB -0.794 41.719 42.510 0.006 0.000 1.852 1185 c HN 0.670 nan 8.230 nan 0.000 0.566 1186 D N 2.067 122.472 120.400 0.008 0.000 2.686 1186 D HA -0.153 4.488 4.640 0.003 0.000 0.235 1186 D C -0.343 175.960 176.300 0.006 0.000 1.160 1186 D CA 0.872 54.876 54.000 0.007 0.000 0.645 1186 D CB -1.219 39.584 40.800 0.005 0.000 1.039 1186 D HN 0.579 nan 8.370 nan 0.000 0.423 1187 N N 0.479 119.184 118.700 0.008 0.000 2.473 1187 N HA 0.217 4.959 4.740 0.003 0.000 0.291 1187 N C 0.860 176.376 175.510 0.010 0.000 1.083 1187 N CA -0.075 52.978 53.050 0.005 0.000 0.951 1187 N CB 1.311 39.799 38.487 0.002 0.000 1.164 1187 N HN 0.130 nan 8.380 nan 0.000 0.480 1188 K N 2.112 122.510 120.400 -0.002 0.000 2.556 1188 K HA 0.235 4.557 4.320 0.003 0.000 0.201 1188 K C 0.932 177.517 176.600 -0.025 0.000 1.423 1188 K CA 0.145 56.427 56.287 -0.008 0.000 1.010 1188 K CB 0.563 33.049 32.500 -0.024 0.000 1.409 1188 K HN 0.330 nan 8.250 nan 0.000 0.538 1189 I N 1.080 121.626 120.570 -0.041 0.000 2.899 1189 I HA -0.031 4.140 4.170 0.003 0.000 0.257 1189 I C 0.085 176.128 176.117 -0.123 0.000 1.115 1189 I CA 0.586 61.845 61.300 -0.070 0.000 1.451 1189 I CB 0.302 38.267 38.000 -0.058 0.000 1.251 1189 I HN -0.103 nan 8.210 nan 0.000 0.456 1190 D N 2.892 123.228 120.400 -0.107 0.000 2.662 1190 D HA 0.298 4.939 4.640 0.003 0.000 0.228 1190 D C -0.360 175.802 176.300 -0.230 0.000 1.093 1190 D CA 0.679 54.580 54.000 -0.164 0.000 1.075 1190 D CB -0.184 40.602 40.800 -0.023 0.000 1.122 1190 D HN 0.184 nan 8.370 nan 0.000 0.475 1191 I N 0.930 121.253 120.570 -0.411 0.000 2.619 1191 I HA 0.284 4.455 4.170 0.003 0.000 0.292 1191 I C -0.829 174.949 176.117 -0.564 0.000 1.100 1191 I CA -0.906 60.189 61.300 -0.342 0.000 1.043 1191 I CB 1.731 39.626 38.000 -0.176 0.000 1.239 1191 I HN -0.073 nan 8.210 nan 0.000 0.420 1192 Y N 3.204 123.397 120.300 -0.178 0.000 2.562 1192 Y HA 0.515 5.066 4.550 0.002 0.000 0.343 1192 Y C -0.163 175.602 175.900 -0.225 0.000 1.025 1192 Y CA -0.701 57.302 58.100 -0.161 0.000 1.082 1192 Y CB 1.740 40.152 38.460 -0.080 0.000 1.264 1192 Y HN 0.422 nan 8.280 nan 0.000 0.478 1193 Q N 3.732 123.545 119.800 0.022 0.000 2.282 1193 Q HA 0.749 5.091 4.340 0.003 0.000 0.260 1193 Q C -1.399 174.611 176.000 0.017 0.000 0.964 1193 Q CA -0.772 55.064 55.803 0.055 0.000 0.880 1193 Q CB 1.519 30.301 28.738 0.073 0.000 1.286 1193 Q HN 0.773 nan 8.270 nan 0.000 0.445 1194 I N -0.742 119.805 120.570 -0.039 0.000 2.969 1194 I HA 0.482 4.653 4.170 0.003 0.000 0.307 1194 I C -1.205 174.813 176.117 -0.165 0.000 1.149 1194 I CA -1.084 60.177 61.300 -0.064 0.000 1.008 1194 I CB 2.461 40.472 38.000 0.019 0.000 1.232 1194 I HN 0.574 nan 8.210 nan 0.000 0.435 1195 H N 5.538 124.624 119.070 0.026 0.000 2.673 1195 H HA 0.631 5.189 4.556 0.003 0.000 0.293 1195 H C -0.741 174.608 175.328 0.035 0.000 1.065 1195 H CA -0.280 55.780 56.048 0.019 0.000 1.236 1195 H CB 1.359 31.131 29.762 0.016 0.000 1.389 1195 H HN 0.687 nan 8.280 nan 0.000 0.481 1196 I N 0.412 121.082 120.570 0.166 0.000 3.042 1196 I HA 0.623 4.794 4.170 0.003 0.000 0.310 1196 I C -2.986 173.211 176.117 0.133 0.000 1.117 1196 I CA -3.047 58.323 61.300 0.116 0.000 1.003 1196 I CB 2.731 40.774 38.000 0.071 0.000 1.228 1196 I HN 0.091 nan 8.210 nan 0.000 0.443 1197 P HA 0.070 nan 4.420 nan 0.000 0.271 1197 P C -0.290 177.050 177.300 0.066 0.000 1.218 1197 P CA 0.063 63.205 63.100 0.069 0.000 0.780 1197 P CB 0.323 32.026 31.700 0.004 0.000 0.901 1198 Y N 2.961 123.238 120.300 -0.039 0.000 2.274 1198 Y HA -0.202 4.350 4.550 0.003 0.000 0.290 1198 Y C 2.213 178.019 175.900 -0.157 0.000 1.145 1198 Y CA 1.993 59.996 58.100 -0.160 0.000 1.203 1198 Y CB -0.681 37.600 38.460 -0.298 0.000 0.984 1198 Y HN 0.418 nan 8.280 nan 0.000 0.533 1199 A N 0.322 123.110 122.820 -0.054 0.000 1.933 1199 A HA -0.140 4.181 4.320 0.003 0.000 0.218 1199 A C 2.416 179.842 177.584 -0.263 0.000 1.175 1199 A CA 1.763 53.721 52.037 -0.131 0.000 0.628 1199 A CB -1.376 17.592 19.000 -0.053 0.000 0.814 1199 A HN 0.578 nan 8.150 nan 0.000 0.444 1200 A N 0.079 122.720 122.820 -0.298 0.000 1.858 1200 A HA -0.170 4.151 4.320 0.003 0.000 0.216 1200 A C 2.138 179.317 177.584 -0.675 0.000 1.190 1200 A CA 1.990 53.705 52.037 -0.537 0.000 0.617 1200 A CB -0.531 18.184 19.000 -0.475 0.000 0.827 1200 A HN 0.565 nan 8.150 nan 0.000 0.443 1201 K N -0.334 119.805 120.400 -0.436 0.000 2.113 1201 K HA -0.137 4.184 4.320 0.003 0.000 0.208 1201 K C 1.949 178.337 176.600 -0.352 0.000 1.047 1201 K CA 1.588 57.685 56.287 -0.318 0.000 0.928 1201 K CB -0.309 32.048 32.500 -0.239 0.000 0.716 1201 K HN 0.486 nan 8.250 nan 0.000 0.446 1202 L N 0.939 121.871 121.223 -0.485 0.000 2.027 1202 L HA -0.168 4.174 4.340 0.003 0.000 0.206 1202 L C 2.439 179.195 176.870 -0.190 0.000 1.074 1202 L CA 0.943 55.570 54.840 -0.355 0.000 0.745 1202 L CB -0.296 41.556 42.059 -0.344 0.000 0.898 1202 L HN 0.301 nan 8.230 nan 0.000 0.433 1203 L N -0.550 120.539 121.223 -0.223 0.000 1.971 1203 L HA -0.276 4.065 4.340 0.003 0.000 0.215 1203 L C 2.294 179.204 176.870 0.066 0.000 1.072 1203 L CA 2.069 56.838 54.840 -0.118 0.000 0.758 1203 L CB -0.693 41.245 42.059 -0.202 0.000 0.889 1203 L HN 0.122 nan 8.230 nan 0.000 0.433 1204 F N -0.024 119.896 119.950 -0.051 0.000 2.171 1204 F HA -0.182 4.346 4.527 0.003 0.000 0.300 1204 F C 2.658 178.436 175.800 -0.036 0.000 1.090 1204 F CA 1.221 59.200 58.000 -0.035 0.000 1.293 1204 F CB -1.349 37.633 39.000 -0.029 0.000 1.013 1204 F HN 0.285 nan 8.300 nan 0.000 0.486 1205 Q N 0.141 120.021 119.800 0.133 0.000 2.020 1205 Q HA -0.216 4.125 4.340 0.003 0.000 0.202 1205 Q C 2.128 178.154 176.000 0.043 0.000 0.982 1205 Q CA 1.801 57.638 55.803 0.057 0.000 0.838 1205 Q CB -0.360 28.375 28.738 -0.004 0.000 0.899 1205 Q HN 0.488 nan 8.270 nan 0.000 0.423 1206 E N 0.448 120.666 120.200 0.029 0.000 2.130 1206 E HA -0.210 4.142 4.350 0.003 0.000 0.196 1206 E C 2.054 178.679 176.600 0.042 0.000 0.998 1206 E CA 0.997 57.413 56.400 0.026 0.000 0.806 1206 E CB -0.142 29.566 29.700 0.014 0.000 0.738 1206 E HN 0.333 nan 8.360 nan 0.000 0.459 1207 L N -0.010 121.256 121.223 0.071 0.000 2.056 1207 L HA -0.158 4.184 4.340 0.003 0.000 0.207 1207 L C 2.588 179.482 176.870 0.039 0.000 1.078 1207 L CA 0.905 55.782 54.840 0.062 0.000 0.749 1207 L CB -0.347 41.766 42.059 0.089 0.000 0.901 1207 L HN 0.179 nan 8.230 nan 0.000 0.433 1208 M N -0.272 119.354 119.600 0.043 0.000 2.108 1208 M HA -0.208 4.273 4.480 0.003 0.000 0.261 1208 M C 2.437 178.750 176.300 0.020 0.000 1.066 1208 M CA 1.992 57.307 55.300 0.025 0.000 1.107 1208 M CB -0.475 32.143 32.600 0.029 0.000 1.356 1208 M HN 0.338 nan 8.290 nan 0.000 0.406 1209 A N -0.665 122.169 122.820 0.023 0.000 2.066 1209 A HA -0.065 4.256 4.320 0.003 0.000 0.218 1209 A C 1.921 179.515 177.584 0.017 0.000 1.157 1209 A CA 0.967 53.015 52.037 0.019 0.000 0.670 1209 A CB -0.518 18.492 19.000 0.018 0.000 0.804 1209 A HN 0.511 nan 8.150 nan 0.000 0.453 1210 M N 0.070 119.682 119.600 0.020 0.000 2.571 1210 M HA 0.130 4.611 4.480 0.003 0.000 0.235 1210 M C 0.120 176.429 176.300 0.014 0.000 1.216 1210 M CA -0.050 55.261 55.300 0.018 0.000 0.979 1210 M CB -0.282 32.331 32.600 0.021 0.000 1.616 1210 M HN 0.458 nan 8.290 nan 0.000 0.469 1211 N N 1.860 120.567 118.700 0.013 0.000 2.696 1211 N HA -0.184 4.557 4.740 0.003 0.000 0.256 1211 N C -1.570 173.943 175.510 0.006 0.000 1.031 1211 N CA 0.796 53.851 53.050 0.009 0.000 0.730 1211 N CB -0.813 37.679 38.487 0.008 0.000 0.894 1211 N HN 0.484 nan 8.380 nan 0.000 0.544 1212 I N 0.862 121.435 120.570 0.004 0.000 2.607 1212 I HA 0.130 4.301 4.170 0.003 0.000 0.290 1212 I C 0.206 176.311 176.117 -0.019 0.000 1.129 1212 I CA -0.704 60.594 61.300 -0.004 0.000 1.042 1212 I CB 2.088 40.089 38.000 0.001 0.000 1.242 1212 I HN 0.140 nan 8.210 nan 0.000 0.421 1213 T N 3.045 117.580 114.554 -0.031 0.000 2.727 1213 T HA 0.492 4.844 4.350 0.003 0.000 0.298 1213 T C -2.497 172.140 174.700 -0.104 0.000 0.942 1213 T CA -1.652 60.415 62.100 -0.055 0.000 0.997 1213 T CB 0.571 69.416 68.868 -0.038 0.000 0.917 1213 T HN 0.244 nan 8.240 nan 0.000 0.487 1214 P HA 0.408 nan 4.420 nan 0.000 0.270 1214 P C -0.365 176.685 177.300 -0.416 0.000 1.551 1214 P CA -0.707 62.170 63.100 -0.372 0.000 1.049 1214 P CB 0.536 31.860 31.700 -0.627 0.000 1.397 1215 R N 2.482 122.837 120.500 -0.242 0.000 2.410 1215 R HA 0.587 4.928 4.340 0.003 0.000 0.288 1215 R C -0.080 176.116 176.300 -0.173 0.000 1.051 1215 R CA -0.752 55.236 56.100 -0.187 0.000 1.021 1215 R CB 0.940 31.201 30.300 -0.064 0.000 1.032 1215 R HN 0.410 nan 8.270 nan 0.000 0.481 1216 L N 3.278 124.379 121.223 -0.203 0.000 2.325 1216 L HA 0.440 4.781 4.340 0.003 0.000 0.281 1216 L C -0.993 175.764 176.870 -0.189 0.000 1.004 1216 L CA -0.728 54.048 54.840 -0.106 0.000 0.823 1216 L CB 0.940 42.973 42.059 -0.042 0.000 1.236 1216 L HN 0.497 nan 8.230 nan 0.000 0.415 1217 Y N 0.650 120.924 120.300 -0.043 0.000 2.446 1217 Y HA 0.278 4.829 4.550 0.003 0.000 0.338 1217 Y C 1.291 177.140 175.900 -0.085 0.000 1.055 1217 Y CA -0.396 57.671 58.100 -0.055 0.000 1.101 1217 Y CB 2.285 40.716 38.460 -0.049 0.000 1.221 1217 Y HN 0.559 nan 8.280 nan 0.000 0.460 1218 T N -0.730 113.833 114.554 0.014 0.000 3.009 1218 T HA -0.011 4.340 4.350 0.003 0.000 0.258 1218 T C -0.331 174.298 174.700 -0.118 0.000 1.063 1218 T CA 0.492 62.491 62.100 -0.167 0.000 1.139 1218 T CB -0.215 68.323 68.868 -0.550 0.000 0.890 1218 T HN 0.619 nan 8.240 nan 0.000 0.471 1219 D N 0.387 120.759 120.400 -0.047 0.000 2.181 1219 D HA 0.356 4.997 4.640 0.003 0.000 0.248 1219 D C 0.970 177.255 176.300 -0.024 0.000 1.020 1219 D CA -0.965 53.010 54.000 -0.042 0.000 0.891 1219 D CB 1.158 41.937 40.800 -0.035 0.000 1.187 1219 D HN -0.319 nan 8.370 nan 0.000 0.443 1220 R N 0.863 121.348 120.500 -0.025 0.000 2.083 1220 R HA -0.021 4.320 4.340 0.003 0.000 0.237 1220 R C 0.430 176.711 176.300 -0.032 0.000 1.137 1220 R CA 0.770 56.857 56.100 -0.021 0.000 0.951 1220 R CB -0.462 29.829 30.300 -0.015 0.000 0.851 1220 R HN 0.483 nan 8.270 nan 0.000 0.434 1221 S N 0.057 115.736 115.700 -0.036 0.000 2.614 1221 S HA 0.228 4.700 4.470 0.003 0.000 0.265 1221 S C 0.541 175.094 174.600 -0.080 0.000 1.303 1221 S CA -0.468 57.704 58.200 -0.047 0.000 1.000 1221 S CB 1.815 64.994 63.200 -0.035 0.000 0.935 1221 S HN 0.151 nan 8.310 nan 0.000 0.551 1222 R N 0.000 120.445 120.500 -0.092 0.000 2.786 1222 R HA 0.000 4.342 4.340 0.003 0.000 0.208 1222 R CA 0.000 56.014 56.100 -0.144 0.000 0.921 1222 R CB 0.000 30.220 30.300 -0.133 0.000 0.687 1222 R HN 0.000 nan 8.270 nan 0.000 0.535