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 2r7z_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIXXXXKLA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGICGLM DATA SEQUENCE TVIAKLNHNQ FECKGCDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE RSRDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.283 176.300 -0.029 0.000 2.045 20 D CA 0.000 53.989 54.000 -0.018 0.000 0.868 20 D CB 0.000 40.793 40.800 -0.011 0.000 0.688 21 E N -0.125 120.048 120.200 -0.045 0.000 2.504 21 E HA -0.119 4.231 4.350 0.001 0.000 0.206 21 E C -0.288 176.257 176.600 -0.092 0.000 1.109 21 E CA 0.589 56.943 56.400 -0.076 0.000 0.906 21 E CB -0.043 29.600 29.700 -0.096 0.000 0.843 21 E HN 0.057 nan 8.360 nan 0.000 0.584 22 S N -0.208 115.459 115.700 -0.055 0.000 2.387 22 S HA 0.582 5.052 4.470 0.001 0.000 0.211 22 S C -1.036 173.553 174.600 -0.020 0.000 1.055 22 S CA -0.193 57.981 58.200 -0.043 0.000 1.133 22 S CB 1.430 64.604 63.200 -0.043 0.000 1.235 22 S HN 0.509 nan 8.310 nan 0.000 0.425 23 A N 4.191 127.005 122.820 -0.010 0.000 2.529 23 A HA 1.000 5.320 4.320 0.001 0.000 0.296 23 A C -2.986 174.600 177.584 0.003 0.000 1.205 23 A CA -1.432 50.605 52.037 -0.000 0.000 0.671 23 A CB 0.523 19.525 19.000 0.004 0.000 1.301 23 A HN 0.422 nan 8.150 nan 0.000 0.450 24 P HA 0.441 nan 4.420 nan 0.000 0.291 24 P C -0.754 176.553 177.300 0.011 0.000 1.287 24 P CA 0.221 63.327 63.100 0.009 0.000 0.767 24 P CB 0.342 32.054 31.700 0.020 0.000 1.290 25 I N -1.050 119.529 120.570 0.015 0.000 2.560 25 I HA 0.171 4.341 4.170 0.001 0.000 0.283 25 I C 0.665 176.808 176.117 0.044 0.000 1.115 25 I CA -0.633 60.684 61.300 0.028 0.000 1.066 25 I CB 1.696 39.703 38.000 0.011 0.000 1.221 25 I HN 0.249 nan 8.210 nan 0.000 0.450 26 T N 1.608 116.192 114.554 0.051 0.000 2.732 26 T HA 0.483 4.834 4.350 0.001 0.000 0.287 26 T C 1.419 176.157 174.700 0.064 0.000 0.993 26 T CA 0.066 62.198 62.100 0.053 0.000 0.966 26 T CB 1.467 70.368 68.868 0.056 0.000 1.047 26 T HN 0.571 nan 8.240 nan 0.000 0.527 27 A N 0.400 123.256 122.820 0.059 0.000 1.842 27 A HA -0.145 4.175 4.320 0.001 0.000 0.217 27 A C 2.244 179.842 177.584 0.025 0.000 1.206 27 A CA 2.235 54.301 52.037 0.048 0.000 0.630 27 A CB -1.598 17.448 19.000 0.077 0.000 0.839 27 A HN 1.020 nan 8.150 nan 0.000 0.447 28 E N 0.419 120.675 120.200 0.094 0.000 2.233 28 E HA -0.269 4.081 4.350 0.001 0.000 0.210 28 E C 1.513 178.217 176.600 0.173 0.000 1.046 28 E CA 2.028 58.533 56.400 0.175 0.000 0.844 28 E CB -0.390 29.418 29.700 0.181 0.000 0.741 28 E HN 0.632 nan 8.360 nan 0.000 0.465 29 D N -0.661 119.815 120.400 0.126 0.000 2.087 29 D HA -0.173 4.467 4.640 0.001 0.000 0.192 29 D C 2.006 178.409 176.300 0.172 0.000 0.993 29 D CA 2.062 56.152 54.000 0.150 0.000 0.828 29 D CB -0.557 40.316 40.800 0.122 0.000 0.968 29 D HN 0.337 nan 8.370 nan 0.000 0.448 30 S N 0.538 116.301 115.700 0.105 0.000 2.414 30 S HA -0.275 4.195 4.470 0.001 0.000 0.241 30 S C 1.949 176.615 174.600 0.110 0.000 1.079 30 S CA 1.464 59.724 58.200 0.100 0.000 1.087 30 S CB -1.427 61.705 63.200 -0.115 0.000 0.927 30 S HN 0.476 nan 8.310 nan 0.000 0.456 31 W N 2.046 123.443 121.300 0.162 0.000 2.318 31 W HA -0.155 4.505 4.660 0.000 0.000 0.313 31 W C 3.073 179.738 176.519 0.242 0.000 1.221 31 W CA 0.663 58.109 57.345 0.168 0.000 1.266 31 W CB -0.633 28.909 29.460 0.138 0.000 1.150 31 W HN 0.443 nan 8.180 nan 0.000 0.496 32 A N 0.188 123.287 122.820 0.465 0.000 1.927 32 A HA -0.261 4.060 4.320 0.001 0.000 0.220 32 A C 1.907 179.716 177.584 0.375 0.000 1.185 32 A CA 2.590 54.850 52.037 0.373 0.000 0.639 32 A CB -1.252 17.919 19.000 0.286 0.000 0.820 32 A HN 0.146 nan 8.150 nan 0.000 0.451 33 V N 0.255 120.397 119.914 0.381 0.000 2.255 33 V HA -0.306 3.814 4.120 0.001 0.000 0.247 33 V C 2.418 178.773 176.094 0.435 0.000 1.051 33 V CA 2.076 64.638 62.300 0.436 0.000 1.018 33 V CB -0.867 31.291 31.823 0.558 0.000 0.641 33 V HN 0.586 nan 8.190 nan 0.000 0.445 34 I N 0.241 121.032 120.570 0.367 0.000 2.118 34 I HA -0.292 3.878 4.170 0.001 0.000 0.241 34 I C 2.714 178.987 176.117 0.260 0.000 1.070 34 I CA 1.904 63.343 61.300 0.232 0.000 1.327 34 I CB -0.589 37.595 38.000 0.306 0.000 1.034 34 I HN 0.291 nan 8.210 nan 0.000 0.405 35 S N 0.749 116.754 115.700 0.509 0.000 2.378 35 S HA -0.318 4.152 4.470 0.001 0.000 0.229 35 S C 2.212 177.080 174.600 0.446 0.000 1.052 35 S CA 1.819 60.423 58.200 0.675 0.000 1.084 35 S CB -0.557 62.945 63.200 0.503 0.000 0.950 35 S HN 0.606 nan 8.310 nan 0.000 0.440 36 A N 0.943 123.984 122.820 0.367 0.000 1.978 36 A HA -0.109 4.212 4.320 0.001 0.000 0.220 36 A C 1.869 179.619 177.584 0.277 0.000 1.170 36 A CA 1.409 53.651 52.037 0.342 0.000 0.636 36 A CB -0.764 18.470 19.000 0.390 0.000 0.810 36 A HN 0.486 nan 8.150 nan 0.000 0.448 37 F N 0.167 119.993 119.950 -0.206 0.000 2.046 37 F HA -0.138 4.390 4.527 0.000 0.000 0.297 37 F C 1.855 177.248 175.800 -0.678 0.000 1.123 37 F CA 1.152 58.590 58.000 -0.937 0.000 1.199 37 F CB -1.168 37.020 39.000 -1.354 0.000 0.972 37 F HN 0.285 nan 8.300 nan 0.000 0.474 38 F N 0.323 120.249 119.950 -0.040 0.000 2.407 38 F HA -0.036 4.491 4.527 0.000 0.000 0.299 38 F C 2.429 178.263 175.800 0.056 0.000 1.097 38 F CA 0.636 58.581 58.000 -0.092 0.000 1.422 38 F CB -0.512 38.485 39.000 -0.005 0.000 1.067 38 F HN -0.126 nan 8.300 nan 0.000 0.539 39 R N 0.379 121.034 120.500 0.259 0.000 2.083 39 R HA -0.205 4.135 4.340 0.001 0.000 0.237 39 R C 2.085 178.485 176.300 0.167 0.000 1.137 39 R CA 1.858 58.084 56.100 0.210 0.000 0.951 39 R CB -0.486 29.942 30.300 0.212 0.000 0.851 39 R HN 0.347 nan 8.270 nan 0.000 0.434 40 E N 0.190 120.491 120.200 0.169 0.000 2.385 40 E HA -0.060 4.291 4.350 0.001 0.000 0.194 40 E C 1.303 177.984 176.600 0.136 0.000 1.013 40 E CA 0.459 56.958 56.400 0.165 0.000 0.866 40 E CB 0.444 30.282 29.700 0.230 0.000 0.832 40 E HN 0.140 nan 8.360 nan 0.000 0.500 41 K N -0.095 120.362 120.400 0.096 0.000 2.240 41 K HA 0.176 4.496 4.320 0.001 0.000 0.202 41 K C 0.910 177.541 176.600 0.050 0.000 1.053 41 K CA 0.814 57.137 56.287 0.060 0.000 0.973 41 K CB 0.630 33.130 32.500 0.000 0.000 0.924 41 K HN 0.192 nan 8.250 nan 0.000 0.477 42 G N 1.272 110.128 108.800 0.094 0.000 2.829 42 G HA2 -0.247 3.713 3.960 0.001 0.000 0.628 42 G HA3 -0.247 3.713 3.960 0.001 0.000 0.628 42 G C 0.393 175.351 174.900 0.097 0.000 1.412 42 G CA -0.312 44.858 45.100 0.117 0.000 0.864 42 G HN 0.134 nan 8.290 nan 0.000 0.544 43 L N 0.135 121.388 121.223 0.050 0.000 2.446 43 L HA 0.097 4.438 4.340 0.001 0.000 0.219 43 L C 2.677 179.535 176.870 -0.019 0.000 1.116 43 L CA 1.146 55.982 54.840 -0.007 0.000 0.844 43 L CB -0.294 41.723 42.059 -0.070 0.000 0.970 43 L HN 0.756 nan 8.230 nan 0.000 0.457 44 V N -4.024 115.890 119.914 0.000 0.000 3.649 44 V HA 0.043 4.163 4.120 0.001 0.000 0.275 44 V C 2.141 178.236 176.094 0.000 0.000 1.281 44 V CA 0.348 62.646 62.300 -0.003 0.000 1.143 44 V CB -0.511 31.316 31.823 0.008 0.000 0.892 44 V HN 0.460 nan 8.190 nan 0.000 0.441 45 S N 3.073 118.773 115.700 0.001 0.000 2.208 45 S HA -0.541 3.929 4.470 0.001 0.000 0.433 45 S C 1.911 176.522 174.600 0.017 0.000 0.994 45 S CA 2.899 61.106 58.200 0.013 0.000 2.516 45 S CB -1.559 61.634 63.200 -0.011 0.000 1.857 45 S HN 0.866 nan 8.310 nan 0.000 0.498 46 Q N 0.566 120.361 119.800 -0.009 0.000 2.135 46 Q HA -0.362 3.978 4.340 0.001 0.000 0.218 46 Q C 2.252 178.271 176.000 0.032 0.000 1.058 46 Q CA 2.053 57.852 55.803 -0.007 0.000 0.926 46 Q CB -0.941 27.771 28.738 -0.043 0.000 1.065 46 Q HN 0.660 nan 8.270 nan 0.000 0.433 47 Q N 0.453 120.268 119.800 0.026 0.000 2.152 47 Q HA -0.120 4.220 4.340 0.001 0.000 0.206 47 Q C 2.274 178.322 176.000 0.080 0.000 0.985 47 Q CA 1.623 57.455 55.803 0.048 0.000 0.863 47 Q CB -0.254 28.495 28.738 0.019 0.000 0.904 47 Q HN 0.550 nan 8.270 nan 0.000 0.422 48 L N 0.376 121.636 121.223 0.063 0.000 2.013 48 L HA -0.161 4.179 4.340 0.001 0.000 0.204 48 L C 2.084 179.036 176.870 0.137 0.000 1.081 48 L CA 0.994 55.888 54.840 0.090 0.000 0.751 48 L CB -0.780 41.312 42.059 0.055 0.000 0.901 48 L HN 0.110 nan 8.230 nan 0.000 0.440 49 D N 0.030 120.490 120.400 0.101 0.000 2.192 49 D HA -0.272 4.368 4.640 0.001 0.000 0.189 49 D C 2.252 178.617 176.300 0.108 0.000 1.007 49 D CA 2.106 56.163 54.000 0.095 0.000 0.859 49 D CB -0.300 40.553 40.800 0.087 0.000 0.936 49 D HN 0.192 nan 8.370 nan 0.000 0.447 50 S N -0.749 115.027 115.700 0.127 0.000 2.400 50 S HA -0.179 4.291 4.470 0.001 0.000 0.232 50 S C 1.764 176.501 174.600 0.228 0.000 1.025 50 S CA 0.688 58.978 58.200 0.149 0.000 0.993 50 S CB -0.370 62.912 63.200 0.138 0.000 0.808 50 S HN 0.229 nan 8.310 nan 0.000 0.478 51 F N 2.948 122.963 119.950 0.108 0.000 2.163 51 F HA 0.026 4.553 4.527 0.000 0.000 0.297 51 F C 2.084 177.986 175.800 0.170 0.000 1.094 51 F CA 1.493 59.584 58.000 0.152 0.000 1.290 51 F CB -0.675 38.377 39.000 0.086 0.000 1.017 51 F HN 0.232 nan 8.300 nan 0.000 0.483 52 N N 0.438 119.193 118.700 0.093 0.000 2.043 52 N HA -0.248 4.493 4.740 0.001 0.000 0.193 52 N C 1.863 177.341 175.510 -0.052 0.000 1.037 52 N CA 1.576 54.612 53.050 -0.024 0.000 0.851 52 N CB -0.900 37.610 38.487 0.039 0.000 1.027 52 N HN 0.321 nan 8.380 nan 0.000 0.422 53 Q N 0.524 120.312 119.800 -0.020 0.000 2.217 53 Q HA -0.129 4.212 4.340 0.001 0.000 0.209 53 Q C 1.758 177.754 176.000 -0.007 0.000 0.988 53 Q CA 1.262 57.020 55.803 -0.074 0.000 0.878 53 Q CB -0.530 28.177 28.738 -0.053 0.000 0.909 53 Q HN 0.452 nan 8.270 nan 0.000 0.424 54 F N -1.214 118.672 119.950 -0.108 0.000 2.259 54 F HA -0.022 4.505 4.527 0.001 0.000 0.298 54 F C 1.433 177.127 175.800 -0.178 0.000 1.088 54 F CA 0.850 58.782 58.000 -0.113 0.000 1.358 54 F CB -0.086 38.839 39.000 -0.126 0.000 1.040 54 F HN -0.037 nan 8.300 nan 0.000 0.505 55 V N 0.741 120.433 119.914 -0.370 0.000 2.251 55 V HA -0.213 3.907 4.120 0.001 0.000 0.237 55 V C 2.141 178.075 176.094 -0.267 0.000 1.040 55 V CA 1.955 63.990 62.300 -0.440 0.000 1.005 55 V CB -0.807 30.792 31.823 -0.374 0.000 0.645 55 V HN 0.153 nan 8.190 nan 0.000 0.458 56 D N -0.775 119.576 120.400 -0.083 0.000 2.160 56 D HA -0.215 4.426 4.640 0.001 0.000 0.189 56 D C 1.849 178.212 176.300 0.104 0.000 1.003 56 D CA 2.334 56.382 54.000 0.080 0.000 0.846 56 D CB -0.304 40.709 40.800 0.355 0.000 0.949 56 D HN 0.519 nan 8.370 nan 0.000 0.446 57 Y N 0.374 120.578 120.300 -0.161 0.000 2.414 57 Y HA 0.072 4.623 4.550 0.001 0.000 0.248 57 Y C 2.727 178.518 175.900 -0.182 0.000 1.054 57 Y CA 0.533 58.553 58.100 -0.133 0.000 1.156 57 Y CB -1.169 37.248 38.460 -0.072 0.000 1.051 57 Y HN -0.146 nan 8.280 nan 0.000 0.485 58 T N 1.906 116.485 114.554 0.042 0.000 2.654 58 T HA -0.356 3.994 4.350 0.001 0.000 0.251 58 T C 1.926 176.495 174.700 -0.217 0.000 1.163 58 T CA 2.376 64.434 62.100 -0.070 0.000 1.136 58 T CB -1.092 67.750 68.868 -0.043 0.000 0.839 58 T HN 0.225 nan 8.240 nan 0.000 0.466 59 L N 0.855 121.764 121.223 -0.524 0.000 2.021 59 L HA -0.218 4.123 4.340 0.001 0.000 0.215 59 L C 2.638 179.407 176.870 -0.168 0.000 1.074 59 L CA 2.197 56.744 54.840 -0.488 0.000 0.760 59 L CB -0.765 40.917 42.059 -0.629 0.000 0.889 59 L HN 0.261 nan 8.230 nan 0.000 0.433 60 Q N -0.350 119.353 119.800 -0.162 0.000 1.993 60 Q HA -0.232 4.108 4.340 0.001 0.000 0.202 60 Q C 1.833 177.789 176.000 -0.073 0.000 0.984 60 Q CA 2.322 58.058 55.803 -0.112 0.000 0.837 60 Q CB -0.420 28.243 28.738 -0.125 0.000 0.902 60 Q HN 0.567 nan 8.270 nan 0.000 0.423 61 D N -0.501 119.869 120.400 -0.051 0.000 2.280 61 D HA -0.170 4.470 4.640 0.001 0.000 0.206 61 D C 1.460 177.754 176.300 -0.010 0.000 0.988 61 D CA 1.229 55.219 54.000 -0.017 0.000 0.886 61 D CB -0.052 40.754 40.800 0.009 0.000 0.914 61 D HN 0.397 nan 8.370 nan 0.000 0.473 62 I N -0.512 120.043 120.570 -0.025 0.000 2.584 62 I HA -0.098 4.073 4.170 0.001 0.000 0.255 62 I C 1.835 177.914 176.117 -0.063 0.000 1.145 62 I CA 0.169 61.454 61.300 -0.024 0.000 1.462 62 I CB 0.073 38.071 38.000 -0.004 0.000 1.102 62 I HN -0.044 nan 8.210 nan 0.000 0.433 63 I N 0.346 120.810 120.570 -0.177 0.000 2.614 63 I HA -0.169 4.001 4.170 0.001 0.000 0.258 63 I C 0.679 176.840 176.117 0.074 0.000 1.189 63 I CA 0.916 62.078 61.300 -0.230 0.000 1.462 63 I CB -0.164 37.684 38.000 -0.253 0.000 1.092 63 I HN 0.218 nan 8.210 nan 0.000 0.442 64 C N 1.273 120.598 119.300 0.042 0.000 2.321 64 C HA 0.462 4.922 4.460 0.001 0.000 0.323 64 C C 0.965 175.972 174.990 0.028 0.000 1.191 64 C CA -0.114 58.937 59.018 0.055 0.000 1.455 64 C CB -0.619 27.147 27.740 0.045 0.000 2.083 64 C HN 0.671 nan 8.230 nan 0.000 0.442 65 E N 1.564 121.772 120.200 0.014 0.000 2.628 65 E HA -0.009 4.342 4.350 0.001 0.000 0.275 65 E C -0.108 176.467 176.600 -0.043 0.000 1.118 65 E CA 0.061 56.451 56.400 -0.017 0.000 1.989 65 E CB -0.245 29.439 29.700 -0.027 0.000 2.738 65 E HN 0.474 nan 8.360 nan 0.000 1.053 66 D N 2.138 122.487 120.400 -0.085 0.000 2.650 66 D HA 0.127 4.767 4.640 0.001 0.000 0.265 66 D C 1.068 177.280 176.300 -0.146 0.000 1.339 66 D CA 0.544 54.477 54.000 -0.112 0.000 0.816 66 D CB 0.777 41.485 40.800 -0.152 0.000 1.091 66 D HN 0.202 nan 8.370 nan 0.000 0.483 67 S N 1.190 116.825 115.700 -0.108 0.000 2.436 67 S HA -0.139 4.331 4.470 0.001 0.000 0.215 67 S C 1.113 175.789 174.600 0.128 0.000 1.047 67 S CA 0.811 58.936 58.200 -0.126 0.000 1.086 67 S CB -1.661 61.556 63.200 0.027 0.000 1.072 67 S HN 0.288 nan 8.310 nan 0.000 0.411 68 T N 3.222 117.935 114.554 0.266 0.000 2.809 68 T HA 0.161 4.512 4.350 0.001 0.000 0.283 68 T C -0.071 174.742 174.700 0.189 0.000 1.031 68 T CA 0.607 62.854 62.100 0.245 0.000 1.135 68 T CB -0.385 68.565 68.868 0.137 0.000 1.070 68 T HN 0.345 nan 8.240 nan 0.000 0.488 69 L N 1.619 122.959 121.223 0.196 0.000 2.283 69 L HA 0.624 4.964 4.340 0.001 0.000 0.259 69 L C 0.322 177.298 176.870 0.177 0.000 1.027 69 L CA -1.300 53.681 54.840 0.236 0.000 0.828 69 L CB 1.679 43.943 42.059 0.341 0.000 1.380 69 L HN 0.556 nan 8.230 nan 0.000 0.425 91 S N 3.908 119.507 115.700 -0.169 0.000 2.713 91 S HA 0.849 5.319 4.470 0.001 0.000 0.283 91 S C -0.818 173.617 174.600 -0.275 0.000 1.161 91 S CA -0.543 57.614 58.200 -0.071 0.000 0.999 91 S CB 1.823 65.025 63.200 0.004 0.000 1.039 91 S HN 0.281 nan 8.310 nan 0.000 0.548 92 F N -0.314 119.672 119.950 0.059 0.000 2.529 92 F HA 0.722 5.250 4.527 0.001 0.000 0.320 92 F C 0.851 176.688 175.800 0.062 0.000 1.118 92 F CA -0.479 57.568 58.000 0.078 0.000 0.915 92 F CB 2.093 41.171 39.000 0.129 0.000 1.161 92 F HN 0.955 nan 8.300 nan 0.000 0.445 93 G N 1.485 110.411 108.800 0.210 0.000 3.099 93 G HA2 0.299 4.259 3.960 0.001 0.000 0.151 93 G HA3 0.299 4.259 3.960 0.001 0.000 0.151 93 G C -0.604 174.366 174.900 0.116 0.000 1.265 93 G CA -0.764 44.415 45.100 0.132 0.000 0.981 93 G HN 0.531 nan 8.290 nan 0.000 0.601 94 K N -0.576 119.865 120.400 0.068 0.000 2.339 94 K HA 0.188 4.508 4.320 0.001 0.000 0.260 94 K C -0.772 175.862 176.600 0.058 0.000 0.989 94 K CA 0.149 56.433 56.287 -0.005 0.000 0.888 94 K CB 0.262 32.700 32.500 -0.102 0.000 0.983 94 K HN 0.335 nan 8.250 nan 0.000 0.515 95 I N 1.938 122.483 120.570 -0.042 0.000 2.582 95 I HA 0.260 4.430 4.170 0.001 0.000 0.292 95 I C -1.651 174.446 176.117 -0.034 0.000 1.066 95 I CA -0.988 60.354 61.300 0.069 0.000 1.053 95 I CB 1.098 39.111 38.000 0.022 0.000 1.241 95 I HN 0.537 nan 8.210 nan 0.000 0.421 96 Y N 5.801 126.143 120.300 0.071 0.000 2.341 96 Y HA 0.521 5.071 4.550 0.001 0.000 0.337 96 Y C -0.178 175.687 175.900 -0.058 0.000 1.014 96 Y CA -0.782 57.339 58.100 0.035 0.000 1.111 96 Y CB 1.882 40.424 38.460 0.136 0.000 1.194 96 Y HN 0.175 nan 8.280 nan 0.000 0.462 97 V N 3.735 123.653 119.914 0.006 0.000 2.304 97 V HA 0.254 4.375 4.120 0.001 0.000 0.278 97 V C -0.063 175.962 176.094 -0.115 0.000 1.018 97 V CA -0.896 61.350 62.300 -0.089 0.000 0.814 97 V CB 0.956 32.705 31.823 -0.123 0.000 1.021 97 V HN 0.905 nan 8.190 nan 0.000 0.440 98 T N 2.486 116.929 114.554 -0.186 0.000 2.910 98 T HA 0.459 4.809 4.350 0.001 0.000 0.293 98 T C 0.082 174.671 174.700 -0.186 0.000 1.015 98 T CA -0.738 61.247 62.100 -0.191 0.000 1.094 98 T CB 1.007 69.709 68.868 -0.276 0.000 0.968 98 T HN 0.509 nan 8.240 nan 0.000 0.521 99 K N 2.293 122.572 120.400 -0.202 0.000 2.230 99 K HA 0.214 4.534 4.320 0.001 0.000 0.253 99 K C -2.422 174.076 176.600 -0.171 0.000 1.008 99 K CA -1.456 54.669 56.287 -0.269 0.000 0.910 99 K CB -0.312 31.895 32.500 -0.489 0.000 0.994 99 K HN 0.420 nan 8.250 nan 0.000 0.495 100 P HA -0.118 nan 4.420 nan 0.000 0.261 100 P C -0.611 176.660 177.300 -0.047 0.000 1.165 100 P CA 1.202 64.198 63.100 -0.173 0.000 0.759 100 P CB 0.437 31.913 31.700 -0.374 0.000 0.772 101 M N 1.334 120.895 119.600 -0.064 0.000 2.843 101 M HA 0.523 5.003 4.480 0.001 0.000 0.273 101 M C -1.354 174.946 176.300 -0.000 0.000 1.286 101 M CA -1.019 54.265 55.300 -0.027 0.000 0.807 101 M CB 2.414 34.995 32.600 -0.031 0.000 1.684 101 M HN -0.150 nan 8.290 nan 0.000 0.458 102 V N 1.270 121.202 119.914 0.030 0.000 2.711 102 V HA 0.355 4.475 4.120 0.001 0.000 0.304 102 V C -1.424 174.697 176.094 0.044 0.000 1.097 102 V CA -0.787 61.543 62.300 0.049 0.000 0.906 102 V CB 2.067 33.944 31.823 0.089 0.000 1.015 102 V HN 0.850 nan 8.190 nan 0.000 0.427 103 N N 3.599 122.312 118.700 0.022 0.000 2.424 103 N HA 0.598 5.338 4.740 0.001 0.000 0.271 103 N C -0.855 174.665 175.510 0.017 0.000 0.985 103 N CA -0.423 52.632 53.050 0.008 0.000 0.921 103 N CB 1.098 39.570 38.487 -0.025 0.000 1.149 103 N HN 0.860 nan 8.380 nan 0.000 0.492 104 E N 0.964 121.175 120.200 0.018 0.000 2.308 104 E HA 0.374 4.724 4.350 0.001 0.000 0.275 104 E C -0.842 175.766 176.600 0.012 0.000 0.890 104 E CA -1.055 55.355 56.400 0.016 0.000 0.754 104 E CB 1.011 30.722 29.700 0.018 0.000 1.207 104 E HN 0.500 nan 8.360 nan 0.000 0.426 105 S N 1.809 117.516 115.700 0.010 0.000 2.580 105 S HA 0.042 4.512 4.470 0.001 0.000 0.266 105 S C 0.477 175.083 174.600 0.010 0.000 1.354 105 S CA -0.048 58.157 58.200 0.010 0.000 1.008 105 S CB 0.268 63.474 63.200 0.010 0.000 0.898 105 S HN 0.767 nan 8.310 nan 0.000 0.555 106 D N -0.391 120.015 120.400 0.010 0.000 3.039 106 D HA -0.114 4.526 4.640 0.001 0.000 0.222 106 D C 0.211 176.516 176.300 0.008 0.000 1.179 106 D CA 1.909 55.915 54.000 0.009 0.000 0.880 106 D CB -1.393 39.413 40.800 0.010 0.000 1.115 106 D HN 1.060 nan 8.370 nan 0.000 0.416 107 G N -2.194 106.612 108.800 0.010 0.000 2.673 107 G HA2 0.511 4.472 3.960 0.001 0.000 0.292 107 G HA3 0.511 4.472 3.960 0.001 0.000 0.292 107 G C 0.434 175.345 174.900 0.018 0.000 1.450 107 G CA -0.145 44.962 45.100 0.012 0.000 0.837 107 G HN 0.051 nan 8.290 nan 0.000 0.505 108 V N -0.015 119.916 119.914 0.027 0.000 2.672 108 V HA 0.385 4.505 4.120 0.001 0.000 0.126 108 V C 1.107 177.226 176.094 0.043 0.000 0.826 108 V CA 0.669 62.990 62.300 0.034 0.000 1.391 108 V CB -0.107 31.744 31.823 0.047 0.000 0.892 108 V HN 0.737 nan 8.190 nan 0.000 0.387 109 T N -0.300 114.291 114.554 0.062 0.000 3.296 109 T HA 0.274 4.624 4.350 0.001 0.000 0.333 109 T C -0.608 174.156 174.700 0.107 0.000 1.280 109 T CA -0.296 61.842 62.100 0.063 0.000 1.558 109 T CB -0.393 68.490 68.868 0.025 0.000 0.929 109 T HN 0.637 nan 8.240 nan 0.000 0.596 110 H N 2.359 121.445 119.070 0.027 0.000 3.016 110 H HA 0.384 4.940 4.556 0.000 0.000 0.345 110 H C 0.460 175.823 175.328 0.058 0.000 1.066 110 H CA 0.252 56.325 56.048 0.042 0.000 1.390 110 H CB 0.517 30.303 29.762 0.040 0.000 1.344 110 H HN 0.640 nan 8.280 nan 0.000 0.605 111 A N 6.013 128.565 122.820 -0.446 0.000 2.376 111 A HA 0.333 4.653 4.320 0.001 0.000 0.298 111 A C -0.447 176.902 177.584 -0.392 0.000 1.271 111 A CA -0.581 51.295 52.037 -0.267 0.000 0.926 111 A CB -0.481 18.462 19.000 -0.094 0.000 1.141 111 A HN 0.632 nan 8.150 nan 0.000 0.539 112 L N 3.180 124.298 121.223 -0.174 0.000 2.418 112 L HA 0.592 4.932 4.340 0.001 0.000 0.265 112 L C -0.875 175.883 176.870 -0.187 0.000 1.143 112 L CA 0.200 55.008 54.840 -0.054 0.000 0.809 112 L CB 0.364 42.444 42.059 0.036 0.000 1.124 112 L HN 0.606 nan 8.230 nan 0.000 0.456 113 Y N 4.061 124.292 120.300 -0.116 0.000 2.570 113 Y HA 0.471 5.022 4.550 0.000 0.000 0.345 113 Y C -1.734 174.205 175.900 0.065 0.000 1.014 113 Y CA -1.633 56.413 58.100 -0.090 0.000 1.063 113 Y CB 1.256 39.602 38.460 -0.190 0.000 1.272 113 Y HN 0.519 nan 8.280 nan 0.000 0.477 114 P HA -0.262 nan 4.420 nan 0.000 0.208 114 P C 1.206 178.475 177.300 -0.052 0.000 1.195 114 P CA 1.874 64.784 63.100 -0.317 0.000 0.927 114 P CB 0.355 31.756 31.700 -0.497 0.000 0.778 115 Q N 0.516 120.314 119.800 -0.004 0.000 2.268 115 Q HA -0.244 4.096 4.340 0.001 0.000 0.213 115 Q C 2.202 178.236 176.000 0.055 0.000 0.995 115 Q CA 2.300 58.121 55.803 0.029 0.000 0.901 115 Q CB -1.034 27.720 28.738 0.027 0.000 0.921 115 Q HN 0.467 nan 8.270 nan 0.000 0.421 116 E N -1.736 118.514 120.200 0.085 0.000 2.076 116 E HA -0.047 4.303 4.350 0.001 0.000 0.190 116 E C 1.717 178.379 176.600 0.103 0.000 0.979 116 E CA 0.715 57.174 56.400 0.099 0.000 0.807 116 E CB -0.219 29.559 29.700 0.130 0.000 0.761 116 E HN 0.425 nan 8.360 nan 0.000 0.454 117 A N 1.368 124.256 122.820 0.115 0.000 2.019 117 A HA -0.150 4.170 4.320 0.001 0.000 0.219 117 A C 2.084 179.719 177.584 0.084 0.000 1.164 117 A CA 0.999 53.101 52.037 0.108 0.000 0.644 117 A CB -0.376 18.720 19.000 0.160 0.000 0.805 117 A HN 0.154 nan 8.150 nan 0.000 0.449 118 R N -0.516 120.031 120.500 0.078 0.000 2.066 118 R HA 0.003 4.344 4.340 0.001 0.000 0.232 118 R C 2.005 178.368 176.300 0.106 0.000 1.131 118 R CA 1.390 57.537 56.100 0.079 0.000 0.955 118 R CB -0.528 29.811 30.300 0.064 0.000 0.851 118 R HN 0.511 nan 8.270 nan 0.000 0.432 119 L N 0.225 121.517 121.223 0.115 0.000 2.072 119 L HA -0.087 4.253 4.340 0.001 0.000 0.205 119 L C 2.173 179.204 176.870 0.269 0.000 1.079 119 L CA 1.274 56.210 54.840 0.161 0.000 0.752 119 L CB -0.348 41.786 42.059 0.124 0.000 0.906 119 L HN 0.131 nan 8.230 nan 0.000 0.436 120 R N 0.310 120.915 120.500 0.175 0.000 2.313 120 R HA 0.065 4.405 4.340 0.001 0.000 0.199 120 R C -0.228 175.955 176.300 -0.196 0.000 0.958 120 R CA -0.052 56.101 56.100 0.088 0.000 1.047 120 R CB -0.295 30.029 30.300 0.039 0.000 0.955 120 R HN 0.424 nan 8.270 nan 0.000 0.481 121 N N 1.101 119.776 118.700 -0.040 0.000 2.641 121 N HA -0.186 4.554 4.740 0.001 0.000 0.267 121 N C -0.884 174.551 175.510 -0.125 0.000 1.087 121 N CA -0.091 52.901 53.050 -0.096 0.000 0.731 121 N CB -0.648 37.715 38.487 -0.206 0.000 0.886 121 N HN 0.166 nan 8.380 nan 0.000 0.547 122 L N -0.614 120.594 121.223 -0.026 0.000 2.305 122 L HA 0.659 5.000 4.340 0.001 0.000 0.261 122 L C 0.419 177.323 176.870 0.057 0.000 1.100 122 L CA -0.734 54.107 54.840 0.002 0.000 1.073 122 L CB 1.318 43.395 42.059 0.030 0.000 1.656 122 L HN -0.033 nan 8.230 nan 0.000 0.536 123 T N -0.681 113.924 114.554 0.085 0.000 2.906 123 T HA 0.199 4.550 4.350 0.001 0.000 0.302 123 T C -0.892 173.905 174.700 0.161 0.000 1.002 123 T CA -0.240 61.933 62.100 0.122 0.000 0.988 123 T CB 0.419 69.345 68.868 0.097 0.000 0.972 123 T HN 0.281 nan 8.240 nan 0.000 0.447 124 Y N 4.625 124.955 120.300 0.051 0.000 2.790 124 Y HA 0.214 4.764 4.550 0.001 0.000 0.348 124 Y C 1.188 177.113 175.900 0.042 0.000 1.183 124 Y CA -0.352 57.766 58.100 0.029 0.000 2.002 124 Y CB -0.836 37.622 38.460 -0.004 0.000 2.086 124 Y HN 0.725 nan 8.280 nan 0.000 0.412 125 S N 0.645 116.331 115.700 -0.023 0.000 2.430 125 S HA 0.874 5.345 4.470 0.001 0.000 0.246 125 S C 0.098 174.621 174.600 -0.127 0.000 1.155 125 S CA 0.045 58.231 58.200 -0.023 0.000 1.054 125 S CB 0.825 64.054 63.200 0.048 0.000 1.154 125 S HN 0.600 nan 8.310 nan 0.000 0.482 126 S N -1.912 113.753 115.700 -0.058 0.000 2.688 126 S HA 0.572 5.043 4.470 0.001 0.000 0.266 126 S C -0.354 174.220 174.600 -0.043 0.000 1.061 126 S CA -0.753 57.392 58.200 -0.091 0.000 0.844 126 S CB 0.243 63.360 63.200 -0.137 0.000 1.103 126 S HN 1.426 nan 8.310 nan 0.000 0.471 127 G N -0.366 108.364 108.800 -0.116 0.000 2.420 127 G HA2 0.600 4.560 3.960 0.001 0.000 0.284 127 G HA3 0.600 4.560 3.960 0.001 0.000 0.284 127 G C -1.475 173.316 174.900 -0.182 0.000 1.177 127 G CA -0.542 44.479 45.100 -0.132 0.000 0.841 127 G HN 0.608 nan 8.290 nan 0.000 0.527 128 L N 1.697 122.903 121.223 -0.027 0.000 2.345 128 L HA 0.493 4.833 4.340 0.001 0.000 0.274 128 L C -0.726 176.340 176.870 0.326 0.000 0.999 128 L CA -0.449 54.407 54.840 0.025 0.000 0.849 128 L CB 0.755 42.809 42.059 -0.009 0.000 1.220 128 L HN 0.464 nan 8.230 nan 0.000 0.422 129 F N 3.228 123.285 119.950 0.179 0.000 2.495 129 F HA 0.781 5.308 4.527 0.001 0.000 0.327 129 F C -0.203 175.736 175.800 0.232 0.000 1.103 129 F CA -1.305 56.806 58.000 0.185 0.000 0.949 129 F CB 2.308 41.377 39.000 0.115 0.000 1.142 129 F HN -0.031 nan 8.300 nan 0.000 0.457 130 V N 1.890 122.027 119.914 0.372 0.000 2.733 130 V HA 0.137 4.257 4.120 0.001 0.000 0.306 130 V C -0.930 175.303 176.094 0.232 0.000 1.084 130 V CA -1.138 61.359 62.300 0.327 0.000 0.905 130 V CB 2.128 34.132 31.823 0.303 0.000 1.010 130 V HN 0.591 nan 8.190 nan 0.000 0.424 131 D N 3.801 124.341 120.400 0.234 0.000 2.349 131 D HA 0.178 4.818 4.640 0.001 0.000 0.266 131 D C -0.006 176.324 176.300 0.050 0.000 1.293 131 D CA 0.315 54.390 54.000 0.124 0.000 0.926 131 D CB 1.493 42.386 40.800 0.156 0.000 1.090 131 D HN 0.243 nan 8.370 nan 0.000 0.502 132 V N 3.298 123.193 119.914 -0.033 0.000 2.567 132 V HA 0.203 4.323 4.120 0.001 0.000 0.289 132 V C 0.633 176.637 176.094 -0.151 0.000 1.049 132 V CA -0.599 61.589 62.300 -0.186 0.000 0.969 132 V CB 1.442 33.136 31.823 -0.216 0.000 0.995 132 V HN 0.247 nan 8.190 nan 0.000 0.471 133 K N 4.672 124.957 120.400 -0.193 0.000 2.307 133 K HA 0.454 4.774 4.320 0.001 0.000 0.263 133 K C -0.274 176.256 176.600 -0.118 0.000 0.973 133 K CA -0.740 55.477 56.287 -0.117 0.000 0.846 133 K CB 1.805 34.258 32.500 -0.079 0.000 1.100 133 K HN 0.758 nan 8.250 nan 0.000 0.438 165 V N 3.136 122.954 119.914 -0.160 0.000 2.483 165 V HA 0.419 4.539 4.120 0.001 0.000 0.295 165 V C -0.367 175.731 176.094 0.007 0.000 1.035 165 V CA -0.748 61.492 62.300 -0.101 0.000 0.896 165 V CB 1.202 33.027 31.823 0.003 0.000 0.986 165 V HN 0.264 nan 8.190 nan 0.000 0.447 166 F N 5.679 125.553 119.950 -0.126 0.000 2.456 166 F HA 0.521 5.048 4.527 0.001 0.000 0.358 166 F C 0.319 176.244 175.800 0.208 0.000 1.095 166 F CA -0.828 57.271 58.000 0.166 0.000 1.216 166 F CB 0.452 39.546 39.000 0.157 0.000 1.125 166 F HN 0.355 nan 8.300 nan 0.000 0.549 167 I N 6.482 126.817 120.570 -0.392 0.000 2.933 167 I HA 0.375 4.545 4.170 0.001 0.000 0.306 167 I C 0.304 176.115 176.117 -0.510 0.000 1.516 167 I CA -0.190 60.897 61.300 -0.356 0.000 0.819 167 I CB 0.119 38.119 38.000 -0.000 0.000 2.085 167 I HN 0.918 nan 8.210 nan 0.000 0.621 168 G N 2.525 110.661 108.800 -1.108 0.000 2.725 168 G HA2 -0.169 3.791 3.960 0.001 0.000 0.220 168 G HA3 -0.169 3.791 3.960 0.001 0.000 0.220 168 G C -0.606 174.191 174.900 -0.170 0.000 1.357 168 G CA -0.825 43.963 45.100 -0.520 0.000 0.866 168 G HN 0.464 nan 8.290 nan 0.000 0.548 169 R N -0.982 119.535 120.500 0.029 0.000 2.502 169 R HA 0.518 4.858 4.340 0.001 0.000 0.300 169 R C -0.817 175.505 176.300 0.037 0.000 0.984 169 R CA -0.886 55.266 56.100 0.087 0.000 0.882 169 R CB 1.871 32.261 30.300 0.150 0.000 1.180 169 R HN 0.650 nan 8.270 nan 0.000 0.444 170 L N 5.358 126.587 121.223 0.009 0.000 2.259 170 L HA 0.394 4.734 4.340 0.001 0.000 0.288 170 L C -2.261 174.678 176.870 0.116 0.000 1.051 170 L CA -2.245 52.611 54.840 0.028 0.000 0.824 170 L CB 0.746 42.789 42.059 -0.027 0.000 1.206 170 L HN 0.446 nan 8.230 nan 0.000 0.429 171 P HA -0.024 nan 4.420 nan 0.000 0.248 171 P C 0.321 177.814 177.300 0.323 0.000 1.254 171 P CA 0.395 63.640 63.100 0.242 0.000 1.252 171 P CB -0.282 31.587 31.700 0.282 0.000 1.465 172 I N 2.683 123.347 120.570 0.157 0.000 3.292 172 I HA -0.012 4.158 4.170 0.001 0.000 0.279 172 I C 1.421 177.247 176.117 -0.485 0.000 1.268 172 I CA 0.332 61.696 61.300 0.107 0.000 1.342 172 I CB 0.145 38.154 38.000 0.015 0.000 1.366 172 I HN 0.278 nan 8.210 nan 0.000 0.615 173 M N 3.683 122.632 119.600 -1.085 0.000 2.404 173 M HA 0.387 4.867 4.480 0.001 0.000 0.338 173 M C -1.190 174.708 176.300 -0.669 0.000 1.150 173 M CA -0.911 53.448 55.300 -1.568 0.000 1.016 173 M CB 1.431 32.611 32.600 -2.368 0.000 1.672 173 M HN 0.262 nan 8.290 nan 0.000 0.448 174 L N 4.658 125.473 121.223 -0.680 0.000 2.453 174 L HA 0.199 4.539 4.340 0.001 0.000 0.272 174 L C 0.867 177.512 176.870 -0.374 0.000 1.182 174 L CA 0.893 55.409 54.840 -0.541 0.000 0.858 174 L CB 0.222 41.757 42.059 -0.873 0.000 1.120 174 L HN 0.937 nan 8.230 nan 0.000 0.474 175 R N -0.135 120.245 120.500 -0.199 0.000 3.872 175 R HA -0.168 4.172 4.340 0.001 0.000 0.341 175 R C 0.143 176.416 176.300 -0.045 0.000 1.172 175 R CA 0.919 56.960 56.100 -0.098 0.000 0.901 175 R CB -1.806 28.433 30.300 -0.103 0.000 1.422 175 R HN 0.906 nan 8.270 nan 0.000 0.523 176 S N -1.607 114.079 115.700 -0.023 0.000 2.623 176 S HA 0.384 4.855 4.470 0.001 0.000 0.278 176 S C 1.062 175.700 174.600 0.064 0.000 1.148 176 S CA -0.516 57.728 58.200 0.073 0.000 1.028 176 S CB 1.030 64.365 63.200 0.225 0.000 1.145 176 S HN 0.235 nan 8.310 nan 0.000 0.523 177 K N 0.144 120.589 120.400 0.075 0.000 2.296 177 K HA 0.120 4.440 4.320 0.001 0.000 0.200 177 K C 0.710 177.294 176.600 -0.028 0.000 1.048 177 K CA 0.770 57.068 56.287 0.018 0.000 0.966 177 K CB -0.320 32.186 32.500 0.010 0.000 0.754 177 K HN 0.449 nan 8.250 nan 0.000 0.466 178 N N -0.291 118.405 118.700 -0.006 0.000 2.270 178 N HA 0.010 4.751 4.740 0.001 0.000 0.198 178 N C -0.777 174.673 175.510 -0.100 0.000 1.117 178 N CA 0.029 53.026 53.050 -0.087 0.000 0.845 178 N CB 0.526 38.981 38.487 -0.055 0.000 0.980 178 N HN 0.048 nan 8.380 nan 0.000 0.486 179 C N 0.740 120.046 119.300 0.011 0.000 2.307 179 C HA 0.256 4.717 4.460 0.001 0.000 0.340 179 C C 1.420 176.469 174.990 0.098 0.000 1.275 179 C CA -0.688 58.428 59.018 0.164 0.000 1.811 179 C CB -1.105 26.726 27.740 0.152 0.000 2.372 179 C HN 0.487 nan 8.230 nan 0.000 0.531 180 Y N 3.705 123.980 120.300 -0.042 0.000 2.241 180 Y HA -0.165 4.385 4.550 0.000 0.000 0.286 180 Y C 2.059 177.959 175.900 0.000 0.000 1.166 180 Y CA 1.589 59.638 58.100 -0.085 0.000 1.203 180 Y CB -0.669 37.612 38.460 -0.299 0.000 0.977 180 Y HN 0.669 nan 8.280 nan 0.000 0.529 181 L N -0.390 120.942 121.223 0.181 0.000 2.042 181 L HA -0.266 4.074 4.340 0.001 0.000 0.210 181 L C 2.613 179.525 176.870 0.070 0.000 1.076 181 L CA 1.635 56.541 54.840 0.109 0.000 0.749 181 L CB -1.135 40.952 42.059 0.046 0.000 0.893 181 L HN 0.338 nan 8.230 nan 0.000 0.432 182 S N -0.139 115.589 115.700 0.048 0.000 2.400 182 S HA -0.284 4.186 4.470 0.001 0.000 0.234 182 S C 1.673 176.296 174.600 0.039 0.000 1.049 182 S CA 1.884 60.104 58.200 0.033 0.000 1.039 182 S CB -0.383 62.830 63.200 0.023 0.000 0.856 182 S HN 0.563 nan 8.310 nan 0.000 0.465 183 E N 1.864 122.091 120.200 0.045 0.000 2.045 183 E HA 0.392 4.742 4.350 0.001 0.000 0.190 183 E C 1.292 177.929 176.600 0.062 0.000 0.968 183 E CA 0.344 56.772 56.400 0.047 0.000 0.813 183 E CB -0.356 29.367 29.700 0.038 0.000 0.780 183 E HN 0.658 nan 8.360 nan 0.000 0.455 184 A N 1.507 124.381 122.820 0.090 0.000 2.614 184 A HA 0.045 4.365 4.320 0.001 0.000 0.231 184 A C 0.618 178.242 177.584 0.067 0.000 1.076 184 A CA 0.956 53.050 52.037 0.095 0.000 0.767 184 A CB -0.204 18.876 19.000 0.134 0.000 1.012 184 A HN 0.305 nan 8.150 nan 0.000 0.512 185 T N -1.557 113.031 114.554 0.056 0.000 2.905 185 T HA 0.517 4.867 4.350 0.001 0.000 0.283 185 T C 0.924 175.647 174.700 0.040 0.000 1.031 185 T CA 0.173 62.293 62.100 0.034 0.000 1.002 185 T CB 1.075 69.952 68.868 0.014 0.000 1.200 185 T HN 0.738 nan 8.240 nan 0.000 0.560 186 E N 0.822 121.029 120.200 0.012 0.000 2.063 186 E HA -0.300 4.050 4.350 0.001 0.000 0.221 186 E C 2.215 178.814 176.600 -0.003 0.000 1.052 186 E CA 2.953 59.360 56.400 0.013 0.000 0.891 186 E CB -0.573 29.083 29.700 -0.073 0.000 0.792 186 E HN 0.759 nan 8.360 nan 0.000 0.482 187 S N 0.368 116.005 115.700 -0.106 0.000 2.387 187 S HA -0.279 4.191 4.470 0.001 0.000 0.230 187 S C 1.811 176.412 174.600 0.002 0.000 1.035 187 S CA 1.631 59.752 58.200 -0.131 0.000 1.014 187 S CB -0.585 62.550 63.200 -0.107 0.000 0.836 187 S HN 0.334 nan 8.310 nan 0.000 0.466 188 D N 1.760 122.183 120.400 0.037 0.000 2.108 188 D HA -0.085 4.556 4.640 0.001 0.000 0.190 188 D C 2.105 178.473 176.300 0.113 0.000 0.995 188 D CA 1.699 55.741 54.000 0.070 0.000 0.834 188 D CB -0.319 40.527 40.800 0.077 0.000 0.967 188 D HN 0.371 nan 8.370 nan 0.000 0.446 189 L N 0.094 121.405 121.223 0.147 0.000 1.963 189 L HA -0.282 4.058 4.340 0.001 0.000 0.220 189 L C 2.732 179.701 176.870 0.165 0.000 1.076 189 L CA 1.512 56.442 54.840 0.151 0.000 0.772 189 L CB -0.984 41.160 42.059 0.142 0.000 0.892 189 L HN 0.149 nan 8.230 nan 0.000 0.435 190 Y N 0.478 120.773 120.300 -0.009 0.000 2.133 190 Y HA -0.353 4.198 4.550 0.000 0.000 0.279 190 Y C 2.604 178.487 175.900 -0.027 0.000 1.209 190 Y CA 1.718 59.807 58.100 -0.019 0.000 1.152 190 Y CB -0.626 37.819 38.460 -0.024 0.000 0.961 190 Y HN 0.176 nan 8.280 nan 0.000 0.512 191 K N -0.389 120.092 120.400 0.137 0.000 2.365 191 K HA -0.044 4.277 4.320 0.001 0.000 0.199 191 K C 1.697 178.289 176.600 -0.012 0.000 1.045 191 K CA 0.820 57.133 56.287 0.044 0.000 0.962 191 K CB -0.194 32.318 32.500 0.020 0.000 0.759 191 K HN 0.332 nan 8.250 nan 0.000 0.469 192 L N 0.207 121.427 121.223 -0.005 0.000 2.446 192 L HA 0.011 4.351 4.340 0.001 0.000 0.219 192 L C 0.879 177.731 176.870 -0.030 0.000 1.116 192 L CA 0.536 55.346 54.840 -0.050 0.000 0.844 192 L CB -0.018 42.053 42.059 0.019 0.000 0.970 192 L HN 0.136 nan 8.230 nan 0.000 0.457 193 K N -2.002 118.383 120.400 -0.025 0.000 3.030 193 K HA -0.164 4.156 4.320 0.001 0.000 0.384 193 K C 0.268 176.824 176.600 -0.074 0.000 0.560 193 K CA 0.898 57.153 56.287 -0.054 0.000 1.690 193 K CB -0.850 31.626 32.500 -0.040 0.000 1.009 193 K HN 0.147 nan 8.250 nan 0.000 0.444 194 E N 2.083 122.265 120.200 -0.030 0.000 2.694 194 E HA -0.085 4.265 4.350 0.001 0.000 0.250 194 E C 0.137 176.697 176.600 -0.067 0.000 0.963 194 E CA 0.488 56.877 56.400 -0.018 0.000 0.949 194 E CB 0.388 30.098 29.700 0.016 0.000 0.911 194 E HN 0.289 nan 8.360 nan 0.000 0.500 195 C N 7.796 127.057 119.300 -0.065 0.000 2.642 195 C HA 0.055 4.516 4.460 0.001 0.000 0.420 195 C C -0.447 174.525 174.990 -0.030 0.000 1.349 195 C CA -1.417 57.536 59.018 -0.108 0.000 1.821 195 C CB 0.066 27.794 27.740 -0.019 0.000 2.637 195 C HN 0.630 nan 8.230 nan 0.000 0.605 196 P HA -0.128 nan 4.420 nan 0.000 0.216 196 P C 1.381 178.640 177.300 -0.068 0.000 1.153 196 P CA 1.860 64.946 63.100 -0.024 0.000 0.848 196 P CB -0.155 31.564 31.700 0.032 0.000 0.787 197 F N 0.461 120.392 119.950 -0.032 0.000 2.333 197 F HA -0.079 4.449 4.527 0.001 0.000 0.300 197 F C 1.230 177.096 175.800 0.110 0.000 1.083 197 F CA 0.728 58.704 58.000 -0.041 0.000 1.395 197 F CB -1.238 37.611 39.000 -0.252 0.000 1.056 197 F HN -0.040 nan 8.300 nan 0.000 0.529 198 D N 0.795 121.361 120.400 0.277 0.000 2.488 198 D HA -0.056 4.585 4.640 0.001 0.000 0.238 198 D C 0.989 177.423 176.300 0.222 0.000 1.138 198 D CA 0.224 54.402 54.000 0.296 0.000 0.873 198 D CB 0.560 41.495 40.800 0.225 0.000 1.183 198 D HN 0.028 nan 8.370 nan 0.000 0.458 199 M N 2.228 121.971 119.600 0.238 0.000 2.405 199 M HA 0.327 4.807 4.480 0.001 0.000 0.292 199 M C 0.876 177.217 176.300 0.069 0.000 1.111 199 M CA -0.030 55.354 55.300 0.140 0.000 0.979 199 M CB -0.699 31.987 32.600 0.143 0.000 1.426 199 M HN 0.374 nan 8.290 nan 0.000 0.509 200 G N 1.973 110.810 108.800 0.062 0.000 2.582 200 G HA2 -0.051 3.909 3.960 0.001 0.000 0.300 200 G HA3 -0.051 3.909 3.960 0.001 0.000 0.300 200 G C 0.791 175.609 174.900 -0.137 0.000 1.300 200 G CA 1.317 46.264 45.100 -0.255 0.000 0.959 200 G HN 1.802 nan 8.290 nan 0.000 0.548 201 G N -3.507 105.111 108.800 -0.303 0.000 2.176 201 G HA2 0.168 4.128 3.960 0.001 0.000 0.232 201 G HA3 0.168 4.128 3.960 0.001 0.000 0.232 201 G C 0.266 175.128 174.900 -0.064 0.000 0.986 201 G CA 1.441 46.459 45.100 -0.138 0.000 0.643 201 G HN 2.342 nan 8.290 nan 0.000 0.522 202 Y N -1.503 118.715 120.300 -0.137 0.000 2.693 202 Y HA 0.881 5.432 4.550 0.001 0.000 0.331 202 Y C -0.195 175.658 175.900 -0.079 0.000 1.092 202 Y CA -2.686 55.404 58.100 -0.018 0.000 1.131 202 Y CB 0.696 39.128 38.460 -0.047 0.000 1.318 202 Y HN -0.030 nan 8.280 nan 0.000 0.510 203 F N 0.367 120.353 119.950 0.060 0.000 2.557 203 F HA 0.648 5.175 4.527 0.001 0.000 0.336 203 F C -0.312 175.562 175.800 0.123 0.000 1.058 203 F CA -1.723 56.275 58.000 -0.003 0.000 0.988 203 F CB 1.563 40.549 39.000 -0.022 0.000 1.275 203 F HN 0.327 nan 8.300 nan 0.000 0.488 204 I N 3.143 123.876 120.570 0.272 0.000 2.623 204 I HA 0.257 4.428 4.170 0.001 0.000 0.275 204 I C -1.208 175.023 176.117 0.189 0.000 1.108 204 I CA -0.230 61.190 61.300 0.201 0.000 1.120 204 I CB 0.485 38.551 38.000 0.110 0.000 1.249 204 I HN 0.249 nan 8.210 nan 0.000 0.500 205 I N 4.480 125.145 120.570 0.158 0.000 2.488 205 I HA 0.263 4.434 4.170 0.001 0.000 0.299 205 I C 1.242 177.402 176.117 0.072 0.000 0.984 205 I CA -0.261 61.108 61.300 0.114 0.000 1.250 205 I CB 0.521 38.574 38.000 0.087 0.000 1.389 205 I HN 0.363 nan 8.210 nan 0.000 0.488 206 N N 4.395 123.127 118.700 0.053 0.000 2.664 206 N HA -0.268 4.472 4.740 0.001 0.000 0.253 206 N C 0.990 176.515 175.510 0.025 0.000 0.998 206 N CA 1.287 54.351 53.050 0.024 0.000 0.796 206 N CB -0.583 37.912 38.487 0.012 0.000 0.955 206 N HN 1.073 nan 8.380 nan 0.000 0.545 207 G N -2.112 106.714 108.800 0.044 0.000 2.850 207 G HA2 -0.301 3.659 3.960 0.001 0.000 0.207 207 G HA3 -0.301 3.659 3.960 0.001 0.000 0.207 207 G C 0.040 174.975 174.900 0.059 0.000 1.302 207 G CA 0.386 45.521 45.100 0.057 0.000 0.832 207 G HN 1.054 nan 8.290 nan 0.000 0.543 208 S N 1.358 117.084 115.700 0.043 0.000 2.584 208 S HA 0.586 5.057 4.470 0.001 0.000 0.273 208 S C -0.095 174.521 174.600 0.025 0.000 1.311 208 S CA -0.042 58.168 58.200 0.017 0.000 1.034 208 S CB 1.692 64.889 63.200 -0.005 0.000 0.939 208 S HN 0.560 nan 8.310 nan 0.000 0.513 209 E N 2.001 122.187 120.200 -0.023 0.000 2.220 209 E HA 0.148 4.498 4.350 0.001 0.000 0.272 209 E C -0.357 176.218 176.600 -0.042 0.000 1.099 209 E CA -0.140 56.241 56.400 -0.031 0.000 0.907 209 E CB 0.410 29.918 29.700 -0.320 0.000 1.022 209 E HN 0.340 nan 8.360 nan 0.000 0.428 210 K N 2.619 123.058 120.400 0.065 0.000 2.235 210 K HA 0.359 4.679 4.320 0.001 0.000 0.266 210 K C -0.583 176.031 176.600 0.023 0.000 0.980 210 K CA -0.740 55.553 56.287 0.009 0.000 0.849 210 K CB 1.985 34.490 32.500 0.010 0.000 1.098 210 K HN 0.214 nan 8.250 nan 0.000 0.445 211 V N 4.297 124.145 119.914 -0.110 0.000 2.532 211 V HA 0.396 4.517 4.120 0.001 0.000 0.295 211 V C 0.328 176.315 176.094 -0.177 0.000 1.041 211 V CA -0.944 61.264 62.300 -0.153 0.000 0.926 211 V CB 1.547 33.101 31.823 -0.447 0.000 0.992 211 V HN 0.545 nan 8.190 nan 0.000 0.457 212 L N 5.084 126.222 121.223 -0.142 0.000 2.275 212 L HA 0.501 4.841 4.340 0.001 0.000 0.288 212 L C -0.612 176.153 176.870 -0.175 0.000 1.046 212 L CA -0.444 54.277 54.840 -0.199 0.000 0.805 212 L CB 1.371 43.324 42.059 -0.177 0.000 1.193 212 L HN 0.398 nan 8.230 nan 0.000 0.426 213 I N 2.647 123.093 120.570 -0.206 0.000 2.460 213 I HA 0.318 4.488 4.170 0.001 0.000 0.298 213 I C 0.689 176.718 176.117 -0.146 0.000 0.989 213 I CA -0.655 60.554 61.300 -0.152 0.000 1.173 213 I CB 1.800 39.728 38.000 -0.119 0.000 1.338 213 I HN 0.611 nan 8.210 nan 0.000 0.456 214 A N 6.947 129.710 122.820 -0.096 0.000 2.580 214 A HA 0.017 4.337 4.320 0.001 0.000 0.244 214 A C 0.198 177.731 177.584 -0.086 0.000 1.045 214 A CA 0.210 52.201 52.037 -0.076 0.000 0.761 214 A CB -0.206 18.769 19.000 -0.042 0.000 0.962 214 A HN 0.621 nan 8.150 nan 0.000 0.512 215 Q N 2.015 121.761 119.800 -0.090 0.000 2.644 215 Q HA 0.174 4.515 4.340 0.001 0.000 0.245 215 Q C -0.102 175.866 176.000 -0.052 0.000 1.064 215 Q CA -0.118 55.632 55.803 -0.089 0.000 0.860 215 Q CB 0.885 29.545 28.738 -0.131 0.000 1.145 215 Q HN 0.937 nan 8.270 nan 0.000 0.515 216 E N 2.574 122.757 120.200 -0.028 0.000 2.442 216 E HA 0.089 4.440 4.350 0.001 0.000 0.262 216 E C -0.351 176.239 176.600 -0.016 0.000 1.004 216 E CA 0.269 56.663 56.400 -0.010 0.000 0.928 216 E CB 0.543 30.270 29.700 0.045 0.000 0.937 216 E HN 0.386 nan 8.360 nan 0.000 0.446 217 R N 1.021 121.504 120.500 -0.028 0.000 2.716 217 R HA 0.296 4.637 4.340 0.001 0.000 0.271 217 R C -1.357 174.919 176.300 -0.040 0.000 1.028 217 R CA -0.809 55.276 56.100 -0.026 0.000 0.883 217 R CB 0.836 31.121 30.300 -0.025 0.000 1.250 217 R HN 0.236 nan 8.270 nan 0.000 0.465 218 S N 0.860 116.543 115.700 -0.029 0.000 2.465 218 S HA 0.516 4.986 4.470 0.001 0.000 0.280 218 S C 0.425 174.990 174.600 -0.058 0.000 1.232 218 S CA 0.115 58.294 58.200 -0.035 0.000 1.066 218 S CB -0.279 62.915 63.200 -0.010 0.000 0.929 218 S HN 0.829 nan 8.310 nan 0.000 0.494 219 A N 4.466 127.229 122.820 -0.095 0.000 2.599 219 A HA 0.460 4.781 4.320 0.001 0.000 0.240 219 A C 0.938 178.460 177.584 -0.104 0.000 1.109 219 A CA 0.463 52.420 52.037 -0.133 0.000 0.798 219 A CB -0.528 18.346 19.000 -0.210 0.000 1.050 219 A HN 1.040 nan 8.150 nan 0.000 0.518 220 G N -1.392 107.339 108.800 -0.115 0.000 2.820 220 G HA2 0.467 4.427 3.960 0.001 0.000 0.291 220 G HA3 0.467 4.427 3.960 0.001 0.000 0.291 220 G C -0.285 174.548 174.900 -0.112 0.000 1.323 220 G CA -0.346 44.700 45.100 -0.090 0.000 1.055 220 G HN 1.043 nan 8.290 nan 0.000 0.520 221 N N -0.884 117.735 118.700 -0.135 0.000 2.669 221 N HA -0.167 4.573 4.740 0.001 0.000 0.266 221 N C -0.610 174.835 175.510 -0.109 0.000 1.024 221 N CA 1.151 54.062 53.050 -0.232 0.000 0.766 221 N CB -0.980 37.319 38.487 -0.313 0.000 0.898 221 N HN 0.509 nan 8.380 nan 0.000 0.548 222 I N -1.024 119.505 120.570 -0.069 0.000 2.913 222 I HA 0.336 4.506 4.170 0.001 0.000 0.302 222 I C 0.115 176.187 176.117 -0.075 0.000 1.246 222 I CA -1.328 59.945 61.300 -0.045 0.000 1.010 222 I CB 2.360 40.320 38.000 -0.066 0.000 1.259 222 I HN -0.124 nan 8.210 nan 0.000 0.434 223 V N 1.813 121.657 119.914 -0.116 0.000 2.432 223 V HA 0.611 4.732 4.120 0.001 0.000 0.275 223 V C -0.567 175.371 176.094 -0.259 0.000 1.043 223 V CA -0.339 61.838 62.300 -0.206 0.000 0.925 223 V CB 0.972 32.628 31.823 -0.279 0.000 0.985 223 V HN 0.793 nan 8.190 nan 0.000 0.466 224 Q N 2.867 122.451 119.800 -0.361 0.000 2.340 224 Q HA 0.713 5.053 4.340 0.001 0.000 0.276 224 Q C -1.323 174.210 176.000 -0.779 0.000 1.048 224 Q CA -0.916 54.561 55.803 -0.544 0.000 0.832 224 Q CB 3.143 31.525 28.738 -0.593 0.000 1.373 224 Q HN 0.917 nan 8.270 nan 0.000 0.409 225 V N -1.009 118.462 119.914 -0.738 0.000 2.495 225 V HA 0.759 4.879 4.120 0.001 0.000 0.298 225 V C -0.975 174.798 176.094 -0.534 0.000 1.031 225 V CA -0.586 61.365 62.300 -0.581 0.000 0.871 225 V CB 0.766 32.407 31.823 -0.302 0.000 0.988 225 V HN 0.671 nan 8.190 nan 0.000 0.432 226 F N 1.457 121.327 119.950 -0.133 0.000 2.563 226 F HA 0.617 5.144 4.527 0.000 0.000 0.316 226 F C 0.381 176.053 175.800 -0.213 0.000 1.076 226 F CA -1.128 56.782 58.000 -0.151 0.000 0.921 226 F CB 2.535 41.475 39.000 -0.100 0.000 1.209 226 F HN 0.381 nan 8.300 nan 0.000 0.462 227 K N 2.136 122.512 120.400 -0.040 0.000 2.174 227 K HA 0.352 4.672 4.320 0.001 0.000 0.275 227 K C -0.681 175.912 176.600 -0.012 0.000 1.015 227 K CA -0.693 55.500 56.287 -0.157 0.000 0.933 227 K CB 1.254 33.648 32.500 -0.176 0.000 1.025 227 K HN 0.506 nan 8.250 nan 0.000 0.463 228 K N 1.696 122.115 120.400 0.031 0.000 2.244 228 K HA 0.297 4.617 4.320 0.001 0.000 0.260 228 K C -0.426 176.184 176.600 0.016 0.000 0.951 228 K CA -0.551 55.748 56.287 0.020 0.000 0.826 228 K CB 1.825 34.337 32.500 0.019 0.000 1.108 228 K HN 0.774 nan 8.250 nan 0.000 0.433 229 A N 2.119 124.937 122.820 -0.003 0.000 2.671 229 A HA -0.116 4.204 4.320 0.001 0.000 0.227 229 A C 1.433 179.019 177.584 0.004 0.000 1.122 229 A CA 1.195 53.230 52.037 -0.004 0.000 0.846 229 A CB -0.110 18.882 19.000 -0.013 0.000 1.001 229 A HN 0.974 nan 8.150 nan 0.000 0.506 230 A N 2.012 124.835 122.820 0.004 0.000 1.917 230 A HA -0.031 4.290 4.320 0.001 0.000 0.219 230 A C -0.396 177.188 177.584 -0.000 0.000 1.182 230 A CA 1.867 53.907 52.037 0.006 0.000 0.633 230 A CB -1.404 17.599 19.000 0.004 0.000 0.819 230 A HN 0.801 nan 8.150 nan 0.000 0.448 231 P HA 0.257 nan 4.420 nan 0.000 0.225 231 P C -0.681 176.610 177.300 -0.015 0.000 1.813 231 P CA 0.406 63.501 63.100 -0.008 0.000 1.013 231 P CB 0.078 31.773 31.700 -0.009 0.000 1.961 232 S N 2.770 118.458 115.700 -0.019 0.000 2.603 232 S HA 0.420 4.890 4.470 0.001 0.000 0.274 232 S C -1.990 172.580 174.600 -0.051 0.000 1.168 232 S CA -1.256 56.922 58.200 -0.036 0.000 0.963 232 S CB 1.663 64.844 63.200 -0.033 0.000 1.078 232 S HN -0.021 nan 8.310 nan 0.000 0.477 233 P HA 0.027 nan 4.420 nan 0.000 0.218 233 P C 0.251 177.457 177.300 -0.157 0.000 1.149 233 P CA 0.642 63.685 63.100 -0.095 0.000 0.817 233 P CB -0.162 31.473 31.700 -0.109 0.000 0.785 234 I N 0.567 121.009 120.570 -0.213 0.000 2.471 234 I HA 0.031 4.202 4.170 0.001 0.000 0.286 234 I C 2.003 178.084 176.117 -0.060 0.000 1.079 234 I CA 0.349 61.524 61.300 -0.208 0.000 1.398 234 I CB 0.610 38.484 38.000 -0.211 0.000 1.403 234 I HN -0.096 nan 8.210 nan 0.000 0.530 235 S N 5.830 121.518 115.700 -0.019 0.000 2.303 235 S HA 0.152 4.622 4.470 0.001 0.000 0.207 235 S C 0.570 175.341 174.600 0.284 0.000 1.025 235 S CA 0.648 58.884 58.200 0.060 0.000 0.953 235 S CB -0.004 63.137 63.200 -0.098 0.000 0.932 235 S HN 0.659 nan 8.310 nan 0.000 0.472 236 H N -0.901 118.155 119.070 -0.023 0.000 2.679 236 H HA 0.732 5.288 4.556 0.001 0.000 0.367 236 H C -1.487 173.822 175.328 -0.032 0.000 1.162 236 H CA -1.219 54.817 56.048 -0.021 0.000 1.181 236 H CB 2.063 31.807 29.762 -0.031 0.000 1.693 236 H HN 0.177 nan 8.280 nan 0.000 0.538 237 V N 0.957 120.913 119.914 0.071 0.000 2.932 237 V HA 0.507 4.628 4.120 0.001 0.000 0.307 237 V C -0.806 175.222 176.094 -0.111 0.000 1.147 237 V CA -0.857 61.441 62.300 -0.004 0.000 0.951 237 V CB 1.850 33.678 31.823 0.009 0.000 1.031 237 V HN 0.911 nan 8.190 nan 0.000 0.426 238 A N 3.287 126.024 122.820 -0.138 0.000 2.303 238 A HA 0.857 5.177 4.320 0.001 0.000 0.320 238 A C -0.429 177.034 177.584 -0.202 0.000 1.192 238 A CA -0.509 51.383 52.037 -0.240 0.000 0.821 238 A CB 0.791 19.657 19.000 -0.223 0.000 1.188 238 A HN 0.846 nan 8.150 nan 0.000 0.492 239 E N 0.819 120.861 120.200 -0.263 0.000 2.235 239 E HA 0.709 5.059 4.350 0.001 0.000 0.265 239 E C -1.313 175.205 176.600 -0.137 0.000 0.940 239 E CA -0.676 55.632 56.400 -0.153 0.000 0.819 239 E CB 2.737 32.387 29.700 -0.083 0.000 1.206 239 E HN 0.597 nan 8.360 nan 0.000 0.409 240 I N 1.076 121.602 120.570 -0.073 0.000 2.651 240 I HA 0.221 4.392 4.170 0.001 0.000 0.287 240 I C -1.364 174.732 176.117 -0.036 0.000 1.244 240 I CA -0.474 60.799 61.300 -0.046 0.000 1.061 240 I CB 1.012 39.021 38.000 0.014 0.000 1.286 240 I HN 0.410 nan 8.210 nan 0.000 0.434 241 R N 5.224 125.699 120.500 -0.043 0.000 2.210 241 R HA 0.347 4.687 4.340 0.001 0.000 0.338 241 R C -0.166 176.097 176.300 -0.060 0.000 1.062 241 R CA -0.309 55.769 56.100 -0.036 0.000 0.902 241 R CB 0.921 31.205 30.300 -0.027 0.000 1.050 241 R HN 0.646 nan 8.270 nan 0.000 0.461 242 S N 1.277 116.955 115.700 -0.036 0.000 2.541 242 S HA 0.789 5.259 4.470 0.001 0.000 0.283 242 S C -0.313 174.304 174.600 0.029 0.000 1.196 242 S CA -0.879 57.301 58.200 -0.033 0.000 1.062 242 S CB 2.183 65.414 63.200 0.052 0.000 1.009 242 S HN 0.664 nan 8.310 nan 0.000 0.502 243 A N 2.795 125.637 122.820 0.037 0.000 2.512 243 A HA 0.533 4.853 4.320 0.001 0.000 0.294 243 A C -0.763 176.868 177.584 0.078 0.000 1.054 243 A CA -0.864 51.217 52.037 0.073 0.000 0.756 243 A CB 0.685 19.715 19.000 0.050 0.000 1.293 243 A HN 0.859 nan 8.150 nan 0.000 0.395 244 L N 2.894 124.168 121.223 0.085 0.000 2.597 244 L HA 0.070 4.411 4.340 0.001 0.000 0.271 244 L C 1.554 178.454 176.870 0.049 0.000 1.157 244 L CA 0.008 54.883 54.840 0.059 0.000 0.928 244 L CB 0.306 42.377 42.059 0.019 0.000 1.216 244 L HN 0.953 nan 8.230 nan 0.000 0.481 245 E N 2.779 123.013 120.200 0.056 0.000 2.219 245 E HA -0.171 4.179 4.350 0.001 0.000 0.198 245 E C -0.161 176.469 176.600 0.050 0.000 0.998 245 E CA 1.327 57.761 56.400 0.056 0.000 0.818 245 E CB 0.099 29.839 29.700 0.066 0.000 0.741 245 E HN 0.500 nan 8.360 nan 0.000 0.477 246 K N -1.001 119.420 120.400 0.036 0.000 2.651 246 K HA 0.421 4.741 4.320 0.001 0.000 0.259 246 K C -0.966 175.633 176.600 -0.002 0.000 1.017 246 K CA -0.097 56.206 56.287 0.027 0.000 0.897 246 K CB 2.168 34.688 32.500 0.033 0.000 1.262 246 K HN 0.111 nan 8.250 nan 0.000 0.460 247 G N 1.335 110.122 108.800 -0.021 0.000 2.421 247 G HA2 0.041 4.001 3.960 0.001 0.000 0.360 247 G HA3 0.041 4.001 3.960 0.001 0.000 0.360 247 G C 0.131 174.953 174.900 -0.131 0.000 1.219 247 G CA -0.031 45.029 45.100 -0.067 0.000 1.257 247 G HN 0.594 nan 8.290 nan 0.000 0.609 248 S N 0.724 116.340 115.700 -0.139 0.000 2.025 248 S HA -0.318 4.152 4.470 0.001 0.000 0.231 248 S C 1.327 175.842 174.600 -0.142 0.000 1.075 248 S CA 2.463 60.533 58.200 -0.216 0.000 1.586 248 S CB -1.172 61.753 63.200 -0.458 0.000 2.055 248 S HN 2.279 nan 8.310 nan 0.000 0.569 249 R N 0.077 120.528 120.500 -0.083 0.000 3.059 249 R HA -0.125 4.216 4.340 0.001 0.000 0.251 249 R C -0.207 176.175 176.300 0.136 0.000 0.886 249 R CA 1.052 57.168 56.100 0.027 0.000 0.634 249 R CB -2.298 28.031 30.300 0.049 0.000 1.282 249 R HN 0.568 nan 8.270 nan 0.000 0.487 250 F N 1.322 121.290 119.950 0.029 0.000 2.471 250 F HA 0.172 4.699 4.527 0.001 0.000 0.353 250 F C 1.584 177.404 175.800 0.033 0.000 1.113 250 F CA -0.499 57.522 58.000 0.034 0.000 1.262 250 F CB 0.690 39.708 39.000 0.031 0.000 1.146 250 F HN 0.197 nan 8.300 nan 0.000 0.578 251 I N 3.572 124.268 120.570 0.209 0.000 2.905 251 I HA 0.095 4.266 4.170 0.001 0.000 0.297 251 I C -0.648 175.492 176.117 0.037 0.000 1.358 251 I CA -0.228 61.132 61.300 0.101 0.000 0.975 251 I CB 0.341 38.391 38.000 0.082 0.000 1.857 251 I HN 0.342 nan 8.210 nan 0.000 0.612 252 S N 0.997 116.707 115.700 0.016 0.000 2.565 252 S HA 0.642 5.113 4.470 0.001 0.000 0.290 252 S C 0.055 174.645 174.600 -0.015 0.000 1.150 252 S CA -0.596 57.592 58.200 -0.019 0.000 1.058 252 S CB 1.872 65.043 63.200 -0.050 0.000 1.032 252 S HN 0.256 nan 8.310 nan 0.000 0.510 253 T N 2.353 116.892 114.554 -0.025 0.000 2.943 253 T HA 0.568 4.918 4.350 0.001 0.000 0.284 253 T C -0.809 173.857 174.700 -0.057 0.000 1.015 253 T CA -0.562 61.519 62.100 -0.031 0.000 1.042 253 T CB 0.945 69.802 68.868 -0.020 0.000 1.055 253 T HN 0.539 nan 8.240 nan 0.000 0.500 254 L N 2.517 123.699 121.223 -0.068 0.000 2.325 254 L HA 0.422 4.762 4.340 0.001 0.000 0.281 254 L C -0.691 176.134 176.870 -0.074 0.000 1.004 254 L CA -0.193 54.584 54.840 -0.105 0.000 0.823 254 L CB 1.433 43.396 42.059 -0.159 0.000 1.236 254 L HN 0.570 nan 8.230 nan 0.000 0.415 255 Q N 4.170 123.934 119.800 -0.059 0.000 2.322 255 Q HA 0.563 4.903 4.340 0.001 0.000 0.265 255 Q C -1.270 174.717 176.000 -0.021 0.000 0.985 255 Q CA -0.758 55.024 55.803 -0.035 0.000 0.849 255 Q CB 2.775 31.506 28.738 -0.012 0.000 1.274 255 Q HN 0.468 nan 8.270 nan 0.000 0.449 256 V N 4.024 123.923 119.914 -0.025 0.000 2.289 256 V HA 0.189 4.309 4.120 0.001 0.000 0.272 256 V C 0.188 176.290 176.094 0.013 0.000 1.026 256 V CA -0.485 61.811 62.300 -0.006 0.000 0.807 256 V CB 0.671 32.473 31.823 -0.035 0.000 1.044 256 V HN 0.669 nan 8.190 nan 0.000 0.443 257 K N 2.633 123.069 120.400 0.060 0.000 2.916 257 K HA 0.556 4.876 4.320 0.001 0.000 0.320 257 K C -0.355 176.306 176.600 0.102 0.000 1.032 257 K CA -0.391 55.944 56.287 0.079 0.000 1.074 257 K CB 0.253 32.828 32.500 0.125 0.000 1.192 257 K HN 0.341 nan 8.250 nan 0.000 0.468 258 L N 0.411 121.721 121.223 0.143 0.000 2.986 258 L HA 0.171 4.511 4.340 0.001 0.000 0.224 258 L C -1.539 175.416 176.870 0.143 0.000 1.096 258 L CA -0.106 54.815 54.840 0.135 0.000 1.139 258 L CB -0.797 41.289 42.059 0.045 0.000 1.347 258 L HN 0.407 nan 8.230 nan 0.000 0.651 259 Y N 1.736 122.037 120.300 0.002 0.000 2.536 259 Y HA 0.371 4.921 4.550 0.000 0.000 0.354 259 Y C 1.661 177.554 175.900 -0.011 0.000 1.266 259 Y CA 1.469 59.571 58.100 0.003 0.000 1.494 259 Y CB 0.090 38.557 38.460 0.012 0.000 1.355 259 Y HN 0.869 nan 8.280 nan 0.000 0.683 260 G N 1.819 110.702 108.800 0.139 0.000 3.347 260 G HA2 -0.231 3.730 3.960 0.001 0.000 0.597 260 G HA3 -0.231 3.730 3.960 0.001 0.000 0.597 260 G C -0.051 174.853 174.900 0.007 0.000 0.831 260 G CA -0.538 44.601 45.100 0.065 0.000 0.778 260 G HN 0.585 nan 8.290 nan 0.000 0.459 261 R N 1.192 121.690 120.500 -0.004 0.000 2.783 261 R HA 0.186 4.526 4.340 0.001 0.000 0.276 261 R C 0.997 177.278 176.300 -0.033 0.000 1.223 261 R CA -0.377 55.711 56.100 -0.021 0.000 1.173 261 R CB 0.374 30.670 30.300 -0.007 0.000 1.157 261 R HN 0.740 nan 8.270 nan 0.000 0.600 262 E N 0.324 120.501 120.200 -0.038 0.000 2.037 262 E HA 0.011 4.361 4.350 0.001 0.000 0.253 262 E C 0.216 176.803 176.600 -0.021 0.000 1.265 262 E CA 0.529 56.905 56.400 -0.041 0.000 0.972 262 E CB -0.382 29.300 29.700 -0.030 0.000 1.054 262 E HN 0.726 nan 8.360 nan 0.000 0.432 263 G N 2.972 111.760 108.800 -0.019 0.000 2.893 263 G HA2 -0.261 3.699 3.960 0.001 0.000 0.160 263 G HA3 -0.261 3.699 3.960 0.001 0.000 0.160 263 G C -0.003 174.896 174.900 -0.001 0.000 2.432 263 G CA -0.243 44.852 45.100 -0.008 0.000 1.388 263 G HN 0.833 nan 8.290 nan 0.000 0.415 264 S N 1.489 117.191 115.700 0.004 0.000 2.817 264 S HA 0.302 4.772 4.470 0.001 0.000 0.333 264 S C 0.730 175.338 174.600 0.014 0.000 1.227 264 S CA 0.878 59.086 58.200 0.013 0.000 1.027 264 S CB 0.305 63.517 63.200 0.020 0.000 0.732 264 S HN 2.180 nan 8.310 nan 0.000 0.499 265 S N 2.636 118.346 115.700 0.015 0.000 2.515 265 S HA 0.461 4.932 4.470 0.001 0.000 0.285 265 S C 0.717 175.329 174.600 0.020 0.000 1.265 265 S CA -0.373 57.836 58.200 0.015 0.000 1.079 265 S CB -0.059 63.149 63.200 0.013 0.000 0.877 265 S HN 2.477 nan 8.310 nan 0.000 0.493 266 A N 2.654 125.485 122.820 0.018 0.000 3.907 266 A HA -0.092 4.229 4.320 0.001 0.000 0.225 266 A C 0.288 177.892 177.584 0.032 0.000 1.241 266 A CA -0.269 51.781 52.037 0.021 0.000 0.823 266 A CB -2.021 16.991 19.000 0.021 0.000 0.969 266 A HN 0.832 nan 8.150 nan 0.000 0.506 267 R N 1.250 121.765 120.500 0.025 0.000 2.853 267 R HA 0.172 4.512 4.340 0.001 0.000 0.238 267 R C 0.809 177.133 176.300 0.040 0.000 1.538 267 R CA 0.877 56.998 56.100 0.035 0.000 1.166 267 R CB -0.059 30.240 30.300 -0.000 0.000 1.201 267 R HN 0.706 nan 8.270 nan 0.000 0.606 268 T N 1.802 116.390 114.554 0.055 0.000 2.882 268 T HA 0.367 4.717 4.350 0.001 0.000 0.287 268 T C 0.411 175.150 174.700 0.065 0.000 1.014 268 T CA -0.434 61.682 62.100 0.027 0.000 1.049 268 T CB 0.629 69.468 68.868 -0.050 0.000 1.001 268 T HN 0.339 nan 8.240 nan 0.000 0.525 269 I N 3.652 124.251 120.570 0.048 0.000 2.378 269 I HA 0.468 4.638 4.170 0.001 0.000 0.291 269 I C 0.305 176.458 176.117 0.060 0.000 0.992 269 I CA -0.800 60.547 61.300 0.078 0.000 1.154 269 I CB 1.627 39.667 38.000 0.067 0.000 1.315 269 I HN 0.620 nan 8.210 nan 0.000 0.448 270 K N 4.347 124.809 120.400 0.103 0.000 2.409 270 K HA 0.932 5.253 4.320 0.001 0.000 0.252 270 K C -1.190 175.470 176.600 0.099 0.000 1.036 270 K CA -0.948 55.384 56.287 0.076 0.000 0.871 270 K CB 2.781 35.297 32.500 0.027 0.000 1.374 270 K HN 0.621 nan 8.250 nan 0.000 0.459 271 A N 0.483 123.346 122.820 0.073 0.000 2.572 271 A HA 0.590 4.910 4.320 0.001 0.000 0.295 271 A C -1.208 176.402 177.584 0.042 0.000 1.072 271 A CA -0.616 51.453 52.037 0.053 0.000 0.691 271 A CB 1.801 20.822 19.000 0.036 0.000 1.291 271 A HN 0.477 nan 8.150 nan 0.000 0.404 272 T N 2.282 116.849 114.554 0.022 0.000 2.771 272 T HA 0.586 4.936 4.350 0.001 0.000 0.281 272 T C -0.417 174.273 174.700 -0.017 0.000 0.982 272 T CA -0.025 62.080 62.100 0.008 0.000 0.978 272 T CB 0.173 69.045 68.868 0.008 0.000 0.930 272 T HN 0.431 nan 8.240 nan 0.000 0.447 273 L N 5.425 126.644 121.223 -0.007 0.000 2.334 273 L HA 0.495 4.835 4.340 0.001 0.000 0.276 273 L C -2.024 174.853 176.870 0.012 0.000 1.014 273 L CA -2.766 52.070 54.840 -0.007 0.000 0.815 273 L CB 1.857 43.941 42.059 0.041 0.000 1.268 273 L HN 0.353 nan 8.230 nan 0.000 0.428 274 P HA -0.090 nan 4.420 nan 0.000 0.262 274 P C -0.793 176.679 177.300 0.288 0.000 1.182 274 P CA 0.387 63.572 63.100 0.143 0.000 0.761 274 P CB 0.197 31.963 31.700 0.109 0.000 0.795 275 Y N -0.120 120.136 120.300 -0.073 0.000 4.490 275 Y HA -0.186 4.364 4.550 0.001 0.000 0.233 275 Y C 0.555 176.419 175.900 -0.060 0.000 1.101 275 Y CA 0.300 58.376 58.100 -0.040 0.000 2.010 275 Y CB -2.448 36.001 38.460 -0.019 0.000 1.622 275 Y HN 0.385 nan 8.280 nan 0.000 0.675 276 I N 0.310 120.904 120.570 0.040 0.000 2.437 276 I HA 0.132 4.302 4.170 0.001 0.000 0.279 276 I C 1.206 177.312 176.117 -0.019 0.000 1.028 276 I CA -0.777 60.513 61.300 -0.018 0.000 1.142 276 I CB 1.392 39.362 38.000 -0.050 0.000 1.266 276 I HN 0.049 nan 8.210 nan 0.000 0.461 277 K N 3.223 123.616 120.400 -0.012 0.000 2.074 277 K HA -0.194 4.126 4.320 0.001 0.000 0.209 277 K C 1.081 177.675 176.600 -0.009 0.000 1.048 277 K CA 1.524 57.804 56.287 -0.012 0.000 0.926 277 K CB 0.106 32.606 32.500 -0.000 0.000 0.713 277 K HN 0.573 nan 8.250 nan 0.000 0.444 278 Q N 0.221 120.008 119.800 -0.022 0.000 2.448 278 Q HA 0.083 4.424 4.340 0.001 0.000 0.192 278 Q C -0.884 175.110 176.000 -0.010 0.000 1.001 278 Q CA -0.728 55.071 55.803 -0.007 0.000 1.018 278 Q CB 1.262 29.992 28.738 -0.013 0.000 1.290 278 Q HN -0.012 nan 8.270 nan 0.000 0.517 279 D N 0.220 120.627 120.400 0.012 0.000 2.340 279 D HA 0.487 5.127 4.640 0.001 0.000 0.243 279 D C -0.716 175.579 176.300 -0.010 0.000 0.988 279 D CA -0.276 53.738 54.000 0.024 0.000 0.959 279 D CB 1.365 42.225 40.800 0.101 0.000 1.226 279 D HN 0.402 nan 8.370 nan 0.000 0.509 280 I N 1.576 122.148 120.570 0.004 0.000 2.498 280 I HA 0.204 4.375 4.170 0.001 0.000 0.290 280 I C -2.461 173.678 176.117 0.038 0.000 1.032 280 I CA -2.207 59.101 61.300 0.014 0.000 1.073 280 I CB 2.903 40.896 38.000 -0.011 0.000 1.251 280 I HN -0.065 nan 8.210 nan 0.000 0.426 281 P HA 0.139 nan 4.420 nan 0.000 0.276 281 P C 1.201 178.537 177.300 0.061 0.000 1.253 281 P CA -0.181 62.948 63.100 0.049 0.000 0.766 281 P CB 0.726 32.459 31.700 0.055 0.000 0.845 282 I N 1.792 122.388 120.570 0.044 0.000 2.285 282 I HA -0.347 3.823 4.170 0.001 0.000 0.254 282 I C 1.337 177.489 176.117 0.059 0.000 1.093 282 I CA 1.752 63.050 61.300 -0.004 0.000 1.368 282 I CB -1.388 36.629 38.000 0.028 0.000 1.054 282 I HN 0.008 nan 8.210 nan 0.000 0.435 283 V N 2.223 122.237 119.914 0.167 0.000 2.215 283 V HA -0.325 3.795 4.120 0.001 0.000 0.246 283 V C 2.589 178.801 176.094 0.196 0.000 1.047 283 V CA 2.682 65.125 62.300 0.239 0.000 0.999 283 V CB -0.960 30.968 31.823 0.174 0.000 0.635 283 V HN 0.477 nan 8.190 nan 0.000 0.450 284 I N -0.036 120.622 120.570 0.146 0.000 2.227 284 I HA -0.348 3.822 4.170 0.001 0.000 0.250 284 I C 2.370 178.540 176.117 0.090 0.000 1.087 284 I CA 2.037 63.419 61.300 0.136 0.000 1.352 284 I CB -0.586 37.527 38.000 0.188 0.000 1.043 284 I HN 0.305 nan 8.210 nan 0.000 0.425 285 I N -0.109 120.480 120.570 0.032 0.000 2.179 285 I HA -0.295 3.876 4.170 0.001 0.000 0.242 285 I C 2.478 178.560 176.117 -0.059 0.000 1.088 285 I CA 1.691 62.950 61.300 -0.067 0.000 1.357 285 I CB -0.434 37.477 38.000 -0.148 0.000 1.051 285 I HN 0.085 nan 8.210 nan 0.000 0.409 286 F N 0.980 120.931 119.950 0.001 0.000 2.095 286 F HA -0.233 4.294 4.527 0.001 0.000 0.298 286 F C 2.816 178.606 175.800 -0.017 0.000 1.104 286 F CA 1.220 59.208 58.000 -0.020 0.000 1.232 286 F CB -0.202 38.810 39.000 0.019 0.000 0.987 286 F HN -0.085 nan 8.300 nan 0.000 0.475 287 R N -0.138 120.490 120.500 0.214 0.000 2.115 287 R HA -0.073 4.267 4.340 0.001 0.000 0.230 287 R C 2.258 178.604 176.300 0.077 0.000 1.111 287 R CA 0.941 57.116 56.100 0.124 0.000 0.976 287 R CB -0.539 29.825 30.300 0.106 0.000 0.870 287 R HN 0.221 nan 8.270 nan 0.000 0.445 288 A N 0.679 123.533 122.820 0.057 0.000 2.121 288 A HA -0.045 4.276 4.320 0.001 0.000 0.218 288 A C 1.924 179.500 177.584 -0.013 0.000 1.154 288 A CA 0.874 52.921 52.037 0.015 0.000 0.679 288 A CB -0.212 18.784 19.000 -0.007 0.000 0.795 288 A HN 0.198 nan 8.150 nan 0.000 0.458 289 L N -1.974 119.248 121.223 -0.001 0.000 2.375 289 L HA 0.206 4.546 4.340 0.001 0.000 0.215 289 L C 1.514 178.395 176.870 0.019 0.000 1.108 289 L CA 0.765 55.592 54.840 -0.021 0.000 0.830 289 L CB 0.181 42.235 42.059 -0.009 0.000 0.959 289 L HN 0.567 nan 8.230 nan 0.000 0.457 290 G N 0.692 109.518 108.800 0.043 0.000 2.151 290 G HA2 -0.178 3.783 3.960 0.001 0.000 0.156 290 G HA3 -0.178 3.783 3.960 0.001 0.000 0.156 290 G C 0.015 174.949 174.900 0.057 0.000 1.017 290 G CA -0.506 44.619 45.100 0.043 0.000 0.686 290 G HN 0.220 nan 8.290 nan 0.000 0.503 291 I N 1.391 122.005 120.570 0.073 0.000 2.905 291 I HA 0.308 4.478 4.170 0.001 0.000 0.297 291 I C 1.752 177.909 176.117 0.066 0.000 1.358 291 I CA -0.706 60.636 61.300 0.069 0.000 0.975 291 I CB 0.211 38.233 38.000 0.036 0.000 1.857 291 I HN 0.092 nan 8.210 nan 0.000 0.612 292 I N 2.966 123.571 120.570 0.059 0.000 2.208 292 I HA -0.089 4.082 4.170 0.001 0.000 0.245 292 I C -0.962 175.186 176.117 0.052 0.000 1.097 292 I CA 0.842 62.176 61.300 0.057 0.000 1.363 292 I CB -1.199 36.828 38.000 0.045 0.000 1.051 292 I HN 0.319 nan 8.210 nan 0.000 0.413 293 P HA 0.109 nan 4.420 nan 0.000 0.275 293 P C -0.893 176.418 177.300 0.020 0.000 1.227 293 P CA -0.042 63.076 63.100 0.030 0.000 0.781 293 P CB 0.747 32.459 31.700 0.019 0.000 0.906 294 D N 1.035 121.452 120.400 0.029 0.000 2.312 294 D HA 0.193 4.834 4.640 0.001 0.000 0.244 294 D C 1.826 178.122 176.300 -0.007 0.000 1.328 294 D CA 0.933 54.946 54.000 0.021 0.000 0.965 294 D CB -0.527 40.292 40.800 0.031 0.000 1.140 294 D HN 0.656 nan 8.370 nan 0.000 0.523 295 G N -0.088 108.703 108.800 -0.014 0.000 2.826 295 G HA2 -0.491 3.469 3.960 0.001 0.000 0.235 295 G HA3 -0.491 3.469 3.960 0.001 0.000 0.235 295 G C 1.122 175.984 174.900 -0.063 0.000 1.159 295 G CA 1.179 46.261 45.100 -0.030 0.000 0.756 295 G HN 0.617 nan 8.290 nan 0.000 0.525 296 E N 0.361 120.518 120.200 -0.071 0.000 2.152 296 E HA 0.122 4.472 4.350 0.001 0.000 0.192 296 E C 2.624 179.097 176.600 -0.213 0.000 0.983 296 E CA 0.815 57.139 56.400 -0.127 0.000 0.818 296 E CB -0.151 29.510 29.700 -0.066 0.000 0.758 296 E HN 0.690 nan 8.360 nan 0.000 0.467 297 I N 0.845 121.322 120.570 -0.155 0.000 2.233 297 I HA -0.230 3.940 4.170 0.001 0.000 0.243 297 I C 2.063 178.042 176.117 -0.229 0.000 1.093 297 I CA 0.484 61.609 61.300 -0.291 0.000 1.380 297 I CB -0.136 37.736 38.000 -0.213 0.000 1.067 297 I HN 0.248 nan 8.210 nan 0.000 0.413 298 L N 0.580 121.746 121.223 -0.096 0.000 2.187 298 L HA -0.192 4.148 4.340 0.001 0.000 0.213 298 L C 2.474 179.348 176.870 0.006 0.000 1.100 298 L CA 1.699 56.529 54.840 -0.016 0.000 0.765 298 L CB -1.214 40.846 42.059 0.002 0.000 0.904 298 L HN 0.392 nan 8.230 nan 0.000 0.437 299 E N -0.843 119.309 120.200 -0.080 0.000 2.072 299 E HA -0.190 4.160 4.350 0.001 0.000 0.191 299 E C 2.049 178.660 176.600 0.019 0.000 0.985 299 E CA 0.791 57.164 56.400 -0.046 0.000 0.801 299 E CB -0.130 29.462 29.700 -0.181 0.000 0.750 299 E HN 0.602 nan 8.360 nan 0.000 0.452 300 H N 0.408 119.431 119.070 -0.078 0.000 2.387 300 H HA -0.051 4.505 4.556 0.001 0.000 0.299 300 H C 2.247 177.787 175.328 0.354 0.000 1.090 300 H CA 0.991 56.969 56.048 -0.115 0.000 1.332 300 H CB 0.035 29.500 29.762 -0.495 0.000 1.386 300 H HN 0.198 nan 8.280 nan 0.000 0.516 301 I N -0.420 120.357 120.570 0.344 0.000 2.385 301 I HA -0.084 4.086 4.170 0.001 0.000 0.244 301 I C 1.223 177.416 176.117 0.126 0.000 1.089 301 I CA 0.269 61.737 61.300 0.280 0.000 1.410 301 I CB 0.297 38.419 38.000 0.203 0.000 1.117 301 I HN 0.091 nan 8.210 nan 0.000 0.429 302 C N 1.036 120.439 119.300 0.172 0.000 2.319 302 C HA 0.288 4.749 4.460 0.001 0.000 0.335 302 C C 0.923 176.164 174.990 0.418 0.000 1.274 302 C CA -0.403 58.689 59.018 0.124 0.000 1.806 302 C CB -0.442 27.351 27.740 0.087 0.000 2.329 302 C HN 0.442 nan 8.230 nan 0.000 0.524 303 Y N 2.542 122.953 120.300 0.185 0.000 2.524 303 Y HA 0.284 4.835 4.550 0.001 0.000 0.266 303 Y C 0.813 176.814 175.900 0.169 0.000 1.180 303 Y CA -0.432 57.801 58.100 0.223 0.000 1.244 303 Y CB 0.330 38.965 38.460 0.292 0.000 1.125 303 Y HN 0.633 nan 8.280 nan 0.000 0.524 304 D N 0.491 121.044 120.400 0.255 0.000 2.375 304 D HA 0.114 4.755 4.640 0.001 0.000 0.241 304 D C 0.383 176.756 176.300 0.122 0.000 1.361 304 D CA -0.104 54.000 54.000 0.173 0.000 0.995 304 D CB 1.918 42.809 40.800 0.152 0.000 1.312 304 D HN -0.069 nan 8.370 nan 0.000 0.576 305 V N 2.969 122.933 119.914 0.084 0.000 3.284 305 V HA -0.109 4.011 4.120 0.001 0.000 0.273 305 V C 1.120 177.260 176.094 0.076 0.000 1.178 305 V CA 1.000 63.327 62.300 0.045 0.000 1.177 305 V CB -0.646 31.156 31.823 -0.035 0.000 0.793 305 V HN 0.497 nan 8.190 nan 0.000 0.536 306 N N 0.853 119.615 118.700 0.103 0.000 2.546 306 N HA 0.117 4.857 4.740 0.001 0.000 0.286 306 N C 0.081 175.723 175.510 0.220 0.000 1.259 306 N CA 0.095 53.229 53.050 0.140 0.000 0.939 306 N CB 0.568 39.117 38.487 0.103 0.000 1.243 306 N HN 0.389 nan 8.380 nan 0.000 0.511 307 D N 0.749 121.275 120.400 0.210 0.000 2.945 307 D HA 0.019 4.660 4.640 0.001 0.000 0.366 307 D C 1.491 177.839 176.300 0.079 0.000 1.352 307 D CA -0.569 53.515 54.000 0.140 0.000 0.810 307 D CB 0.041 40.872 40.800 0.052 0.000 1.170 307 D HN 0.204 nan 8.370 nan 0.000 0.461 308 W N 1.003 122.306 121.300 0.005 0.000 2.255 308 W HA -0.313 4.348 4.660 0.001 0.000 0.318 308 W C 1.244 177.763 176.519 0.000 0.000 1.277 308 W CA 0.753 58.099 57.345 0.001 0.000 1.286 308 W CB -1.181 28.278 29.460 -0.002 0.000 1.132 308 W HN 0.197 nan 8.180 nan 0.000 0.504 309 Q N 0.557 119.815 119.800 -0.903 0.000 1.927 309 Q HA -0.284 4.056 4.340 0.001 0.000 0.210 309 Q C 2.527 178.337 176.000 -0.317 0.000 1.001 309 Q CA 2.639 57.981 55.803 -0.769 0.000 0.862 309 Q CB -0.868 27.375 28.738 -0.825 0.000 0.934 309 Q HN 0.422 nan 8.270 nan 0.000 0.420 310 M N 0.710 120.165 119.600 -0.241 0.000 2.088 310 M HA -0.265 4.216 4.480 0.001 0.000 0.256 310 M C 2.083 178.343 176.300 -0.067 0.000 1.071 310 M CA 1.671 56.895 55.300 -0.127 0.000 1.097 310 M CB -0.229 32.314 32.600 -0.095 0.000 1.315 310 M HN 0.211 nan 8.290 nan 0.000 0.406 311 L N 0.040 121.244 121.223 -0.033 0.000 1.956 311 L HA -0.286 4.054 4.340 0.001 0.000 0.216 311 L C 2.539 179.417 176.870 0.015 0.000 1.073 311 L CA 2.022 56.873 54.840 0.018 0.000 0.762 311 L CB -1.172 40.926 42.059 0.065 0.000 0.889 311 L HN 0.381 nan 8.230 nan 0.000 0.433 312 E N 0.262 120.474 120.200 0.021 0.000 2.132 312 E HA -0.314 4.036 4.350 0.001 0.000 0.218 312 E C 2.136 178.734 176.600 -0.002 0.000 1.058 312 E CA 2.172 58.588 56.400 0.026 0.000 0.882 312 E CB -0.343 29.369 29.700 0.019 0.000 0.774 312 E HN 0.204 nan 8.360 nan 0.000 0.467 313 M N -0.476 119.102 119.600 -0.036 0.000 2.124 313 M HA -0.256 4.224 4.480 0.001 0.000 0.253 313 M C 2.527 178.825 176.300 -0.004 0.000 1.077 313 M CA 1.685 56.966 55.300 -0.033 0.000 1.085 313 M CB -1.199 31.369 32.600 -0.053 0.000 1.320 313 M HN 0.246 nan 8.290 nan 0.000 0.404 314 L N -0.872 120.356 121.223 0.009 0.000 2.275 314 L HA -0.178 4.162 4.340 0.001 0.000 0.215 314 L C 2.487 179.376 176.870 0.032 0.000 1.119 314 L CA 0.731 55.590 54.840 0.031 0.000 0.790 314 L CB -0.583 41.503 42.059 0.044 0.000 0.919 314 L HN 0.317 nan 8.230 nan 0.000 0.443 315 K N 0.466 120.879 120.400 0.023 0.000 2.015 315 K HA -0.212 4.109 4.320 0.001 0.000 0.220 315 K C -0.303 176.306 176.600 0.015 0.000 1.055 315 K CA 2.198 58.496 56.287 0.017 0.000 0.951 315 K CB -1.421 31.088 32.500 0.015 0.000 0.725 315 K HN 0.281 nan 8.250 nan 0.000 0.449 316 P HA -0.220 nan 4.420 nan 0.000 0.217 316 P C 1.709 179.023 177.300 0.022 0.000 1.148 316 P CA 1.324 64.432 63.100 0.012 0.000 0.828 316 P CB -0.199 31.507 31.700 0.011 0.000 0.783 317 C N -0.174 119.145 119.300 0.032 0.000 2.462 317 C HA -0.101 4.359 4.460 0.001 0.000 0.278 317 C C 2.827 177.855 174.990 0.063 0.000 1.253 317 C CA 0.893 59.939 59.018 0.047 0.000 1.713 317 C CB -1.461 26.315 27.740 0.060 0.000 2.049 317 C HN 0.070 nan 8.230 nan 0.000 0.477 318 V N 1.253 121.206 119.914 0.064 0.000 2.252 318 V HA -0.275 3.845 4.120 0.001 0.000 0.249 318 V C 2.402 178.548 176.094 0.087 0.000 1.056 318 V CA 2.561 64.907 62.300 0.077 0.000 1.022 318 V CB -1.115 30.740 31.823 0.053 0.000 0.641 318 V HN 0.601 nan 8.190 nan 0.000 0.445 319 E N -0.247 119.982 120.200 0.048 0.000 2.233 319 E HA -0.320 4.030 4.350 0.001 0.000 0.199 319 E C 1.883 178.552 176.600 0.115 0.000 1.004 319 E CA 1.593 58.023 56.400 0.050 0.000 0.819 319 E CB -0.244 29.455 29.700 -0.001 0.000 0.738 319 E HN 0.697 nan 8.360 nan 0.000 0.478 320 D N -0.299 120.151 120.400 0.083 0.000 2.084 320 D HA -0.087 4.553 4.640 0.001 0.000 0.196 320 D C 2.006 178.356 176.300 0.084 0.000 0.985 320 D CA 1.501 55.541 54.000 0.067 0.000 0.826 320 D CB -0.314 40.509 40.800 0.038 0.000 0.978 320 D HN 0.177 nan 8.370 nan 0.000 0.456 321 G N -0.888 107.976 108.800 0.107 0.000 2.598 321 G HA2 -0.208 3.752 3.960 0.001 0.000 0.215 321 G HA3 -0.208 3.752 3.960 0.001 0.000 0.215 321 G C 1.266 176.234 174.900 0.114 0.000 1.131 321 G CA 0.145 45.304 45.100 0.100 0.000 0.785 321 G HN 0.309 nan 8.290 nan 0.000 0.539 322 F N 1.991 121.942 119.950 0.002 0.000 2.214 322 F HA -0.219 4.308 4.527 0.001 0.000 0.302 322 F C 2.287 178.077 175.800 -0.016 0.000 1.063 322 F CA 1.327 59.326 58.000 -0.003 0.000 1.319 322 F CB -0.230 38.767 39.000 -0.006 0.000 1.046 322 F HN 0.043 nan 8.300 nan 0.000 0.505 323 V N 0.471 120.239 119.914 -0.243 0.000 2.626 323 V HA -0.164 3.956 4.120 0.001 0.000 0.252 323 V C 1.575 177.504 176.094 -0.276 0.000 1.067 323 V CA 1.045 63.128 62.300 -0.362 0.000 1.081 323 V CB -0.632 31.046 31.823 -0.242 0.000 0.686 323 V HN 0.157 nan 8.190 nan 0.000 0.468 324 I N -0.500 119.977 120.570 -0.156 0.000 2.783 324 I HA 0.354 4.524 4.170 0.001 0.000 0.312 324 I C 0.716 176.798 176.117 -0.058 0.000 0.988 324 I CA -0.063 61.187 61.300 -0.083 0.000 1.182 324 I CB 1.744 39.741 38.000 -0.006 0.000 1.368 324 I HN 0.037 nan 8.210 nan 0.000 0.511 325 Q N 2.112 121.895 119.800 -0.028 0.000 1.870 325 Q HA 0.129 4.469 4.340 0.001 0.000 0.182 325 Q C -1.769 174.240 176.000 0.015 0.000 0.779 325 Q CA -0.172 55.630 55.803 -0.003 0.000 0.912 325 Q CB 0.504 29.224 28.738 -0.029 0.000 1.234 325 Q HN 0.754 nan 8.270 nan 0.000 0.404 326 D N -2.490 117.922 120.400 0.019 0.000 2.654 326 D HA 0.171 4.811 4.640 0.001 0.000 0.231 326 D C 0.137 176.457 176.300 0.032 0.000 1.239 326 D CA -0.657 53.358 54.000 0.024 0.000 0.790 326 D CB 0.604 41.413 40.800 0.015 0.000 1.480 326 D HN -0.001 nan 8.370 nan 0.000 0.442 327 R N 0.445 120.965 120.500 0.033 0.000 2.117 327 R HA -0.166 4.174 4.340 0.001 0.000 0.243 327 R C 1.405 177.724 176.300 0.032 0.000 1.143 327 R CA 1.857 57.977 56.100 0.034 0.000 0.968 327 R CB 0.088 30.405 30.300 0.028 0.000 0.863 327 R HN 0.571 nan 8.270 nan 0.000 0.444 328 E N -0.798 119.419 120.200 0.028 0.000 1.995 328 E HA -0.198 4.152 4.350 0.001 0.000 0.207 328 E C 1.849 178.472 176.600 0.037 0.000 1.016 328 E CA 2.199 58.616 56.400 0.029 0.000 0.865 328 E CB -0.277 29.436 29.700 0.022 0.000 0.797 328 E HN 0.318 nan 8.360 nan 0.000 0.491 329 T N 1.213 115.786 114.554 0.033 0.000 2.822 329 T HA -0.197 4.153 4.350 0.001 0.000 0.270 329 T C 1.762 176.506 174.700 0.073 0.000 1.064 329 T CA 0.984 63.110 62.100 0.044 0.000 1.131 329 T CB -0.322 68.554 68.868 0.014 0.000 0.858 329 T HN 0.313 nan 8.240 nan 0.000 0.483 330 A N 1.694 124.553 122.820 0.064 0.000 1.849 330 A HA -0.102 4.218 4.320 0.001 0.000 0.217 330 A C 2.154 179.790 177.584 0.086 0.000 1.202 330 A CA 1.610 53.696 52.037 0.081 0.000 0.629 330 A CB -0.987 18.050 19.000 0.062 0.000 0.834 330 A HN 0.398 nan 8.150 nan 0.000 0.447 331 L N 0.154 121.409 121.223 0.054 0.000 2.131 331 L HA -0.155 4.185 4.340 0.001 0.000 0.210 331 L C 2.121 179.022 176.870 0.053 0.000 1.092 331 L CA 2.136 56.996 54.840 0.034 0.000 0.759 331 L CB -0.896 41.176 42.059 0.021 0.000 0.903 331 L HN 0.652 nan 8.230 nan 0.000 0.435 332 D N -0.036 120.412 120.400 0.080 0.000 2.137 332 D HA -0.325 4.315 4.640 0.001 0.000 0.189 332 D C 1.167 177.554 176.300 0.145 0.000 0.998 332 D CA 1.028 55.089 54.000 0.102 0.000 0.839 332 D CB -0.232 40.631 40.800 0.104 0.000 0.962 332 D HN 0.129 nan 8.370 nan 0.000 0.446 333 F N 0.870 120.827 119.950 0.011 0.000 2.624 333 F HA 0.243 4.770 4.527 0.001 0.000 0.352 333 F C -0.312 175.494 175.800 0.010 0.000 1.275 333 F CA 0.214 58.220 58.000 0.011 0.000 1.220 333 F CB -0.616 38.386 39.000 0.004 0.000 1.674 333 F HN 0.113 nan 8.300 nan 0.000 0.683 334 I N 3.163 123.614 120.570 -0.199 0.000 2.739 334 I HA 0.165 4.335 4.170 0.001 0.000 0.289 334 I C 0.137 176.196 176.117 -0.096 0.000 1.721 334 I CA -0.315 60.847 61.300 -0.228 0.000 0.770 334 I CB 0.063 37.975 38.000 -0.146 0.000 1.821 334 I HN 0.415 nan 8.210 nan 0.000 0.536 346 E N 0.323 120.545 120.200 0.037 0.000 4.510 346 E HA -0.446 3.904 4.350 0.001 0.000 0.189 346 E C 1.313 177.936 176.600 0.038 0.000 1.322 346 E CA 2.508 58.928 56.400 0.034 0.000 2.269 346 E CB -1.122 28.593 29.700 0.025 0.000 1.885 346 E HN 0.682 nan 8.360 nan 0.000 0.337 347 K N 1.562 121.982 120.400 0.033 0.000 1.987 347 K HA -0.226 4.094 4.320 0.001 0.000 0.216 347 K C 2.251 178.884 176.600 0.055 0.000 1.051 347 K CA 2.188 58.493 56.287 0.029 0.000 0.942 347 K CB -0.559 31.948 32.500 0.012 0.000 0.722 347 K HN 0.384 nan 8.250 nan 0.000 0.444 348 R N 1.393 121.935 120.500 0.071 0.000 2.091 348 R HA -0.083 4.257 4.340 0.001 0.000 0.238 348 R C 2.432 178.812 176.300 0.132 0.000 1.136 348 R CA 1.862 58.038 56.100 0.127 0.000 0.959 348 R CB -1.178 29.193 30.300 0.118 0.000 0.856 348 R HN 0.246 nan 8.270 nan 0.000 0.437 349 I N 1.113 121.736 120.570 0.089 0.000 2.381 349 I HA -0.302 3.869 4.170 0.001 0.000 0.255 349 I C 2.634 178.797 176.117 0.077 0.000 1.140 349 I CA 1.436 62.780 61.300 0.072 0.000 1.404 349 I CB -0.413 37.620 38.000 0.054 0.000 1.075 349 I HN 0.286 nan 8.210 nan 0.000 0.433 350 Q N 0.384 120.240 119.800 0.092 0.000 2.008 350 Q HA -0.220 4.120 4.340 0.001 0.000 0.196 350 Q C 2.148 178.236 176.000 0.146 0.000 0.973 350 Q CA 1.569 57.429 55.803 0.095 0.000 0.826 350 Q CB -0.648 28.138 28.738 0.081 0.000 0.894 350 Q HN 0.464 nan 8.270 nan 0.000 0.439 351 Y N 0.662 120.971 120.300 0.015 0.000 2.096 351 Y HA -0.358 4.192 4.550 0.000 0.000 0.276 351 Y C 1.983 177.888 175.900 0.010 0.000 1.209 351 Y CA 1.883 59.991 58.100 0.013 0.000 1.137 351 Y CB -1.077 37.395 38.460 0.019 0.000 0.956 351 Y HN 0.196 nan 8.280 nan 0.000 0.506 352 A N 0.073 122.907 122.820 0.023 0.000 1.858 352 A HA -0.231 4.089 4.320 0.001 0.000 0.216 352 A C 2.350 179.907 177.584 -0.045 0.000 1.190 352 A CA 2.032 54.018 52.037 -0.085 0.000 0.617 352 A CB -0.717 18.260 19.000 -0.039 0.000 0.827 352 A HN 0.506 nan 8.150 nan 0.000 0.443 353 K N -0.325 120.078 120.400 0.006 0.000 2.032 353 K HA -0.244 4.076 4.320 0.001 0.000 0.218 353 K C 1.753 178.359 176.600 0.010 0.000 1.054 353 K CA 1.955 58.249 56.287 0.011 0.000 0.941 353 K CB -0.471 32.048 32.500 0.032 0.000 0.720 353 K HN 0.546 nan 8.250 nan 0.000 0.449 354 D N 0.728 121.145 120.400 0.028 0.000 2.087 354 D HA -0.158 4.483 4.640 0.001 0.000 0.192 354 D C 2.000 178.295 176.300 -0.008 0.000 0.993 354 D CA 1.240 55.257 54.000 0.028 0.000 0.828 354 D CB -0.296 40.544 40.800 0.068 0.000 0.968 354 D HN 0.215 nan 8.370 nan 0.000 0.448 355 I N 0.929 121.458 120.570 -0.067 0.000 2.502 355 I HA -0.250 3.921 4.170 0.001 0.000 0.258 355 I C 2.302 178.418 176.117 -0.002 0.000 1.172 355 I CA 0.687 61.923 61.300 -0.107 0.000 1.430 355 I CB -0.153 37.699 38.000 -0.247 0.000 1.086 355 I HN 0.011 nan 8.210 nan 0.000 0.440 356 L N -0.558 120.667 121.223 0.003 0.000 2.307 356 L HA -0.083 4.257 4.340 0.001 0.000 0.211 356 L C 2.416 179.322 176.870 0.061 0.000 1.099 356 L CA 0.705 55.561 54.840 0.026 0.000 0.816 356 L CB -0.214 41.786 42.059 -0.097 0.000 0.952 356 L HN 0.258 nan 8.230 nan 0.000 0.455 357 Q N -0.299 119.527 119.800 0.044 0.000 2.134 357 Q HA -0.056 4.284 4.340 0.001 0.000 0.195 357 Q C 1.837 177.876 176.000 0.066 0.000 0.958 357 Q CA 0.853 56.689 55.803 0.055 0.000 0.840 357 Q CB 0.281 29.046 28.738 0.045 0.000 0.918 357 Q HN 0.319 nan 8.270 nan 0.000 0.467 358 K N -0.100 120.335 120.400 0.057 0.000 2.323 358 K HA 0.025 4.346 4.320 0.001 0.000 0.197 358 K C 1.335 177.990 176.600 0.092 0.000 1.043 358 K CA 0.544 56.874 56.287 0.072 0.000 0.997 358 K CB 0.572 33.112 32.500 0.067 0.000 0.807 358 K HN 0.083 nan 8.250 nan 0.000 0.497 359 E N -0.320 119.910 120.200 0.050 0.000 2.434 359 E HA 0.051 4.401 4.350 0.001 0.000 0.207 359 E C -0.217 176.422 176.600 0.064 0.000 0.929 359 E CA -0.137 56.268 56.400 0.009 0.000 1.001 359 E CB 0.337 29.955 29.700 -0.137 0.000 1.016 359 E HN 0.077 nan 8.360 nan 0.000 0.502 360 F N 2.419 122.360 119.950 -0.014 0.000 2.444 360 F HA 0.149 4.677 4.527 0.000 0.000 0.360 360 F C 0.847 176.670 175.800 0.038 0.000 1.106 360 F CA -0.678 57.327 58.000 0.009 0.000 1.170 360 F CB 0.500 39.498 39.000 -0.005 0.000 1.113 360 F HN -0.137 nan 8.300 nan 0.000 0.521 361 L N 8.812 129.859 121.223 -0.294 0.000 3.742 361 L HA -0.240 4.100 4.340 0.001 0.000 0.431 361 L C -1.476 175.456 176.870 0.103 0.000 1.220 361 L CA 0.399 55.219 54.840 -0.032 0.000 0.863 361 L CB -1.198 40.915 42.059 0.090 0.000 1.751 361 L HN 0.598 nan 8.230 nan 0.000 0.922 362 P HA -0.264 nan 4.420 nan 0.000 0.221 362 P C 0.836 178.187 177.300 0.086 0.000 1.151 362 P CA 2.222 65.389 63.100 0.112 0.000 0.843 362 P CB -0.602 31.190 31.700 0.153 0.000 0.778 363 H N -1.162 117.901 119.070 -0.010 0.000 2.598 363 H HA 0.194 4.750 4.556 0.000 0.000 0.371 363 H C 1.643 176.919 175.328 -0.087 0.000 1.468 363 H CA -0.040 55.986 56.048 -0.037 0.000 1.454 363 H CB 0.473 30.215 29.762 -0.034 0.000 1.579 363 H HN -0.004 nan 8.280 nan 0.000 0.611 364 I N -1.920 118.433 120.570 -0.360 0.000 4.556 364 I HA -0.372 3.798 4.170 0.001 0.000 0.051 364 I C -0.013 175.919 176.117 -0.307 0.000 0.616 364 I CA 1.868 62.917 61.300 -0.418 0.000 0.936 364 I CB -1.210 36.406 38.000 -0.640 0.000 0.846 364 I HN 0.859 nan 8.210 nan 0.000 0.161 365 T N -0.697 113.686 114.554 -0.286 0.000 3.142 365 T HA 0.232 4.582 4.350 0.001 0.000 0.379 365 T C -0.955 173.643 174.700 -0.171 0.000 1.820 365 T CA -0.352 61.572 62.100 -0.293 0.000 1.086 365 T CB 1.353 69.836 68.868 -0.641 0.000 1.723 365 T HN 0.362 nan 8.240 nan 0.000 0.496 366 Q N 1.768 121.504 119.800 -0.107 0.000 2.149 366 Q HA 0.392 4.732 4.340 0.001 0.000 0.221 366 Q C 1.264 177.259 176.000 -0.007 0.000 0.807 366 Q CA -0.209 55.580 55.803 -0.023 0.000 1.000 366 Q CB 0.689 29.431 28.738 0.008 0.000 1.157 366 Q HN 0.517 nan 8.270 nan 0.000 0.487 367 L N 0.402 121.601 121.223 -0.040 0.000 1.915 367 L HA -0.109 4.232 4.340 0.001 0.000 0.240 367 L C 1.470 178.409 176.870 0.115 0.000 1.054 367 L CA 1.439 56.303 54.840 0.039 0.000 1.524 367 L CB -0.098 41.995 42.059 0.057 0.000 1.281 367 L HN 0.199 nan 8.230 nan 0.000 0.686 368 E N -1.441 118.902 120.200 0.239 0.000 3.343 368 E HA 0.120 4.471 4.350 0.001 0.000 0.221 368 E C 0.909 177.661 176.600 0.254 0.000 1.224 368 E CA 0.248 56.766 56.400 0.198 0.000 1.057 368 E CB 0.067 29.839 29.700 0.120 0.000 3.107 368 E HN 0.467 nan 8.360 nan 0.000 0.568 369 G N 0.957 109.840 108.800 0.138 0.000 2.809 369 G HA2 -0.038 3.923 3.960 0.001 0.000 0.260 369 G HA3 -0.038 3.923 3.960 0.001 0.000 0.260 369 G C -0.357 174.334 174.900 -0.349 0.000 0.734 369 G CA 0.670 45.719 45.100 -0.085 0.000 2.020 369 G HN 0.107 nan 8.290 nan 0.000 0.578 370 F N -1.095 118.860 119.950 0.008 0.000 2.859 370 F HA 0.253 4.781 4.527 0.000 0.000 0.324 370 F C 1.478 177.289 175.800 0.019 0.000 1.158 370 F CA -0.554 57.453 58.000 0.012 0.000 1.147 370 F CB 0.604 39.606 39.000 0.005 0.000 1.137 370 F HN 0.119 nan 8.300 nan 0.000 0.516 371 E N 0.744 121.019 120.200 0.124 0.000 2.136 371 E HA -0.254 4.097 4.350 0.001 0.000 0.202 371 E C 2.306 178.965 176.600 0.098 0.000 1.019 371 E CA 2.242 58.684 56.400 0.071 0.000 0.819 371 E CB -0.502 29.218 29.700 0.032 0.000 0.739 371 E HN 0.382 nan 8.360 nan 0.000 0.458 372 S N -0.108 115.663 115.700 0.118 0.000 2.399 372 S HA -0.136 4.335 4.470 0.001 0.000 0.231 372 S C 1.998 176.785 174.600 0.311 0.000 1.022 372 S CA 1.062 59.381 58.200 0.198 0.000 0.983 372 S CB -0.153 63.158 63.200 0.185 0.000 0.803 372 S HN 0.115 nan 8.310 nan 0.000 0.480 373 R N 1.190 121.835 120.500 0.242 0.000 2.090 373 R HA 0.154 4.495 4.340 0.001 0.000 0.228 373 R C 2.350 178.832 176.300 0.303 0.000 1.110 373 R CA 1.164 57.408 56.100 0.240 0.000 0.973 373 R CB -0.080 30.365 30.300 0.241 0.000 0.869 373 R HN 0.406 nan 8.270 nan 0.000 0.440 374 K N -0.381 120.172 120.400 0.255 0.000 2.228 374 K HA 0.024 4.345 4.320 0.001 0.000 0.202 374 K C 1.939 178.774 176.600 0.392 0.000 1.051 374 K CA 0.896 57.365 56.287 0.304 0.000 0.960 374 K CB 0.101 32.722 32.500 0.202 0.000 0.743 374 K HN 0.121 nan 8.250 nan 0.000 0.458 375 A N 0.839 123.827 122.820 0.280 0.000 1.877 375 A HA -0.147 4.174 4.320 0.001 0.000 0.216 375 A C 1.816 179.632 177.584 0.385 0.000 1.186 375 A CA 1.290 53.481 52.037 0.256 0.000 0.620 375 A CB -0.699 18.304 19.000 0.004 0.000 0.822 375 A HN 0.212 nan 8.150 nan 0.000 0.443 376 F N -2.052 118.121 119.950 0.371 0.000 2.365 376 F HA -0.022 4.505 4.527 0.001 0.000 0.300 376 F C 1.857 178.210 175.800 0.922 0.000 1.090 376 F CA 0.894 59.251 58.000 0.595 0.000 1.408 376 F CB -0.275 38.881 39.000 0.260 0.000 1.060 376 F HN 0.306 nan 8.300 nan 0.000 0.534 377 F N -0.239 120.172 119.950 0.767 0.000 2.094 377 F HA -0.107 4.421 4.527 0.001 0.000 0.291 377 F C 2.253 178.375 175.800 0.538 0.000 1.109 377 F CA 0.898 59.311 58.000 0.688 0.000 1.221 377 F CB -0.794 38.528 39.000 0.536 0.000 1.014 377 F HN -0.110 nan 8.300 nan 0.000 0.473 378 L N 0.592 122.164 121.223 0.581 0.000 2.081 378 L HA -0.094 4.246 4.340 0.001 0.000 0.212 378 L C 2.234 179.280 176.870 0.294 0.000 1.080 378 L CA 2.340 57.372 54.840 0.320 0.000 0.754 378 L CB -1.669 40.477 42.059 0.146 0.000 0.893 378 L HN 0.205 nan 8.230 nan 0.000 0.433 379 G N -1.904 107.215 108.800 0.532 0.000 2.402 379 G HA2 -0.353 3.607 3.960 0.001 0.000 0.216 379 G HA3 -0.353 3.607 3.960 0.001 0.000 0.216 379 G C 1.559 176.697 174.900 0.398 0.000 1.162 379 G CA 0.748 46.194 45.100 0.577 0.000 0.777 379 G HN 0.546 nan 8.290 nan 0.000 0.539 380 Y N 0.973 121.458 120.300 0.308 0.000 2.274 380 Y HA -0.018 4.532 4.550 0.001 0.000 0.290 380 Y C 2.703 178.531 175.900 -0.120 0.000 1.145 380 Y CA 1.428 59.565 58.100 0.062 0.000 1.203 380 Y CB -0.144 38.243 38.460 -0.122 0.000 0.984 380 Y HN 0.155 nan 8.280 nan 0.000 0.533 381 M N -0.632 118.805 119.600 -0.271 0.000 2.081 381 M HA -0.164 4.316 4.480 0.001 0.000 0.261 381 M C 2.158 178.308 176.300 -0.249 0.000 1.075 381 M CA 1.865 56.940 55.300 -0.376 0.000 1.133 381 M CB -0.454 32.022 32.600 -0.208 0.000 1.330 381 M HN 0.200 nan 8.290 nan 0.000 0.414 382 I N 0.589 121.109 120.570 -0.083 0.000 2.381 382 I HA -0.354 3.817 4.170 0.001 0.000 0.255 382 I C 2.050 178.117 176.117 -0.084 0.000 1.140 382 I CA 1.255 62.536 61.300 -0.031 0.000 1.404 382 I CB -0.777 37.276 38.000 0.088 0.000 1.075 382 I HN 0.437 nan 8.210 nan 0.000 0.433 383 N N 1.040 119.654 118.700 -0.144 0.000 2.048 383 N HA -0.167 4.573 4.740 0.001 0.000 0.193 383 N C 1.991 177.353 175.510 -0.248 0.000 1.061 383 N CA 1.297 54.223 53.050 -0.206 0.000 0.849 383 N CB -0.031 38.280 38.487 -0.293 0.000 1.044 383 N HN -0.029 nan 8.380 nan 0.000 0.429 384 R N 0.341 120.603 120.500 -0.396 0.000 2.189 384 R HA -0.226 4.114 4.340 0.001 0.000 0.252 384 R C 2.197 178.360 176.300 -0.228 0.000 1.134 384 R CA 1.575 57.455 56.100 -0.367 0.000 0.954 384 R CB -1.695 28.284 30.300 -0.535 0.000 0.890 384 R HN 0.459 nan 8.270 nan 0.000 0.443 385 L N 1.089 122.190 121.223 -0.203 0.000 1.991 385 L HA -0.231 4.109 4.340 0.001 0.000 0.221 385 L C 2.403 179.242 176.870 -0.052 0.000 1.079 385 L CA 1.891 56.665 54.840 -0.109 0.000 0.778 385 L CB -0.680 41.330 42.059 -0.081 0.000 0.893 385 L HN 0.175 nan 8.230 nan 0.000 0.437 386 L N -1.477 119.703 121.223 -0.072 0.000 2.012 386 L HA -0.258 4.082 4.340 0.001 0.000 0.210 386 L C 2.547 179.381 176.870 -0.061 0.000 1.073 386 L CA 1.077 55.879 54.840 -0.063 0.000 0.748 386 L CB -0.766 41.248 42.059 -0.075 0.000 0.891 386 L HN 0.302 nan 8.230 nan 0.000 0.431 387 L N -0.481 120.690 121.223 -0.087 0.000 2.171 387 L HA -0.340 4.001 4.340 0.001 0.000 0.216 387 L C 2.683 179.528 176.870 -0.042 0.000 1.084 387 L CA 1.750 56.544 54.840 -0.076 0.000 0.771 387 L CB -1.090 40.911 42.059 -0.096 0.000 0.890 387 L HN 0.482 nan 8.230 nan 0.000 0.437 388 C N -1.200 118.091 119.300 -0.016 0.000 2.576 388 C HA 0.076 4.537 4.460 0.001 0.000 0.281 388 C C 2.996 178.065 174.990 0.131 0.000 1.292 388 C CA 0.438 59.481 59.018 0.041 0.000 1.697 388 C CB -1.046 26.711 27.740 0.028 0.000 2.109 388 C HN 0.577 nan 8.230 nan 0.000 0.497 389 A N 0.407 123.333 122.820 0.176 0.000 2.148 389 A HA -0.060 4.261 4.320 0.001 0.000 0.222 389 A C 1.676 179.237 177.584 -0.039 0.000 1.161 389 A CA 1.615 53.644 52.037 -0.014 0.000 0.662 389 A CB -0.696 18.170 19.000 -0.223 0.000 0.799 389 A HN 0.749 nan 8.150 nan 0.000 0.466 390 L N -0.898 120.307 121.223 -0.030 0.000 2.872 390 L HA 0.161 4.501 4.340 0.001 0.000 0.245 390 L C -0.694 176.155 176.870 -0.034 0.000 1.211 390 L CA -0.320 54.484 54.840 -0.060 0.000 1.013 390 L CB -0.615 41.385 42.059 -0.099 0.000 1.326 390 L HN 0.203 nan 8.230 nan 0.000 0.525 391 D N 1.423 121.825 120.400 0.003 0.000 2.802 391 D HA -0.208 4.432 4.640 0.001 0.000 0.229 391 D C 1.098 177.394 176.300 -0.007 0.000 1.203 391 D CA 0.659 54.664 54.000 0.007 0.000 0.712 391 D CB -0.301 40.503 40.800 0.007 0.000 0.973 391 D HN 0.422 nan 8.370 nan 0.000 0.407 392 R N -0.336 120.156 120.500 -0.013 0.000 2.350 392 R HA 0.169 4.509 4.340 0.001 0.000 0.199 392 R C 0.412 176.704 176.300 -0.014 0.000 0.876 392 R CA -0.034 56.056 56.100 -0.016 0.000 1.062 392 R CB 0.684 30.967 30.300 -0.028 0.000 1.263 392 R HN -0.088 nan 8.270 nan 0.000 0.641 393 K N 1.642 122.031 120.400 -0.020 0.000 2.397 393 K HA 0.241 4.561 4.320 0.001 0.000 0.253 393 K C -0.937 175.650 176.600 -0.022 0.000 0.932 393 K CA -0.447 55.826 56.287 -0.024 0.000 0.795 393 K CB 2.089 34.562 32.500 -0.045 0.000 1.159 393 K HN -0.001 nan 8.250 nan 0.000 0.424 394 D N 1.345 121.738 120.400 -0.013 0.000 2.278 394 D HA -0.099 4.541 4.640 0.001 0.000 0.240 394 D C 0.572 176.859 176.300 -0.022 0.000 1.347 394 D CA 0.324 54.319 54.000 -0.009 0.000 0.945 394 D CB 0.692 41.498 40.800 0.010 0.000 1.175 394 D HN 0.373 nan 8.370 nan 0.000 0.519 395 Q N -0.083 119.713 119.800 -0.007 0.000 2.249 395 Q HA 0.072 4.413 4.340 0.001 0.000 0.226 395 Q C -0.859 175.186 176.000 0.076 0.000 0.983 395 Q CA -0.531 55.282 55.803 0.016 0.000 0.930 395 Q CB 0.940 29.698 28.738 0.033 0.000 1.193 395 Q HN 0.249 nan 8.270 nan 0.000 0.508 396 D N 1.916 122.422 120.400 0.176 0.000 2.295 396 D HA 0.027 4.667 4.640 0.001 0.000 0.248 396 D C -0.919 175.537 176.300 0.260 0.000 1.154 396 D CA 0.020 54.138 54.000 0.196 0.000 0.857 396 D CB 0.875 41.746 40.800 0.119 0.000 1.117 396 D HN 0.484 nan 8.370 nan 0.000 0.468 397 D N 2.973 123.462 120.400 0.148 0.000 2.346 397 D HA -0.043 4.597 4.640 0.001 0.000 0.267 397 D C 1.135 177.486 176.300 0.085 0.000 1.320 397 D CA -0.035 54.033 54.000 0.112 0.000 0.951 397 D CB 0.447 41.339 40.800 0.153 0.000 1.079 397 D HN 0.279 nan 8.370 nan 0.000 0.509 398 R N 2.237 122.748 120.500 0.019 0.000 2.303 398 R HA -0.104 4.237 4.340 0.001 0.000 0.225 398 R C -0.024 176.254 176.300 -0.038 0.000 1.114 398 R CA 0.888 56.979 56.100 -0.016 0.000 1.007 398 R CB 0.251 30.469 30.300 -0.136 0.000 0.861 398 R HN 0.488 nan 8.270 nan 0.000 0.471 399 D N -0.725 119.612 120.400 -0.105 0.000 2.788 399 D HA -0.010 4.630 4.640 0.001 0.000 0.289 399 D C -0.308 175.652 176.300 -0.566 0.000 1.340 399 D CA -0.117 53.732 54.000 -0.253 0.000 0.831 399 D CB 0.117 40.760 40.800 -0.263 0.000 1.103 399 D HN 0.129 nan 8.370 nan 0.000 0.476 400 H N 1.315 120.188 119.070 -0.328 0.000 2.923 400 H HA 0.017 4.573 4.556 0.001 0.000 0.251 400 H C 1.069 176.372 175.328 -0.042 0.000 1.741 400 H CA -0.619 55.299 56.048 -0.216 0.000 1.387 400 H CB -0.558 29.183 29.762 -0.034 0.000 1.740 400 H HN -0.039 nan 8.280 nan 0.000 0.544 401 F N 3.325 123.145 119.950 -0.216 0.000 2.056 401 F HA -0.385 4.143 4.527 0.001 0.000 0.282 401 F C 2.334 178.180 175.800 0.076 0.000 1.056 401 F CA 2.447 60.417 58.000 -0.050 0.000 1.318 401 F CB -0.890 38.098 39.000 -0.019 0.000 0.973 401 F HN 0.609 nan 8.300 nan 0.000 0.490 402 G N -0.947 108.012 108.800 0.264 0.000 2.499 402 G HA2 -0.288 3.672 3.960 0.001 0.000 0.221 402 G HA3 -0.288 3.672 3.960 0.001 0.000 0.221 402 G C 1.479 176.367 174.900 -0.019 0.000 1.109 402 G CA 0.991 46.184 45.100 0.154 0.000 0.749 402 G HN 0.454 nan 8.290 nan 0.000 0.568 403 K N 0.087 120.484 120.400 -0.006 0.000 2.437 403 K HA 0.177 4.497 4.320 0.001 0.000 0.205 403 K C -0.006 176.518 176.600 -0.127 0.000 1.026 403 K CA -0.031 56.196 56.287 -0.099 0.000 1.153 403 K CB 0.499 32.965 32.500 -0.056 0.000 0.863 403 K HN 0.074 nan 8.250 nan 0.000 0.502 404 K N 1.451 121.733 120.400 -0.197 0.000 2.221 404 K HA 0.377 4.697 4.320 0.001 0.000 0.258 404 K C -0.274 176.148 176.600 -0.298 0.000 0.944 404 K CA -0.812 55.336 56.287 -0.232 0.000 0.823 404 K CB 1.876 34.201 32.500 -0.291 0.000 1.113 404 K HN -0.142 nan 8.250 nan 0.000 0.431 405 R N 2.405 122.785 120.500 -0.199 0.000 2.534 405 R HA 0.443 4.784 4.340 0.001 0.000 0.301 405 R C -0.404 175.825 176.300 -0.119 0.000 0.961 405 R CA -0.740 55.259 56.100 -0.167 0.000 0.871 405 R CB 1.038 31.264 30.300 -0.124 0.000 1.170 405 R HN 0.535 nan 8.270 nan 0.000 0.446 406 L N 3.625 124.783 121.223 -0.109 0.000 2.287 406 L HA 0.290 4.630 4.340 0.001 0.000 0.280 406 L C -0.108 176.738 176.870 -0.040 0.000 1.055 406 L CA -0.731 54.071 54.840 -0.065 0.000 0.863 406 L CB 0.828 42.855 42.059 -0.053 0.000 1.245 406 L HN 0.265 nan 8.230 nan 0.000 0.432 407 D N 2.905 123.286 120.400 -0.032 0.000 2.458 407 D HA 0.268 4.909 4.640 0.001 0.000 0.243 407 D C -0.135 176.156 176.300 -0.016 0.000 1.146 407 D CA 0.232 54.226 54.000 -0.010 0.000 0.877 407 D CB 2.120 42.919 40.800 -0.002 0.000 1.176 407 D HN 0.109 nan 8.370 nan 0.000 0.461 408 L N 1.020 122.251 121.223 0.014 0.000 2.271 408 L HA 0.410 4.750 4.340 0.001 0.000 0.265 408 L C 1.521 178.424 176.870 0.054 0.000 1.013 408 L CA -0.580 54.271 54.840 0.018 0.000 0.820 408 L CB 1.234 43.313 42.059 0.034 0.000 1.352 408 L HN 0.435 nan 8.230 nan 0.000 0.443 409 A N 1.162 124.022 122.820 0.067 0.000 2.001 409 A HA -0.264 4.056 4.320 0.001 0.000 0.224 409 A C 1.835 179.512 177.584 0.155 0.000 1.203 409 A CA 2.572 54.684 52.037 0.124 0.000 0.667 409 A CB -1.593 17.540 19.000 0.221 0.000 0.823 409 A HN 0.939 nan 8.150 nan 0.000 0.473 410 G N -0.410 108.494 108.800 0.174 0.000 2.637 410 G HA2 -0.097 3.864 3.960 0.001 0.000 0.215 410 G HA3 -0.097 3.864 3.960 0.001 0.000 0.215 410 G C -0.167 174.759 174.900 0.043 0.000 1.289 410 G CA 1.198 46.386 45.100 0.146 0.000 0.816 410 G HN 0.465 nan 8.290 nan 0.000 0.580 411 P HA -0.164 nan 4.420 nan 0.000 0.219 411 P C 2.125 179.495 177.300 0.116 0.000 1.158 411 P CA 1.198 64.376 63.100 0.131 0.000 0.895 411 P CB -0.234 31.530 31.700 0.107 0.000 0.792 412 L N -1.978 119.331 121.223 0.143 0.000 2.051 412 L HA -0.222 4.119 4.340 0.001 0.000 0.214 412 L C 2.490 179.492 176.870 0.221 0.000 1.076 412 L CA 1.514 56.560 54.840 0.342 0.000 0.758 412 L CB -1.070 41.224 42.059 0.391 0.000 0.890 412 L HN 0.003 nan 8.230 nan 0.000 0.433 413 L N -0.865 120.299 121.223 -0.098 0.000 2.156 413 L HA -0.128 4.212 4.340 0.001 0.000 0.208 413 L C 2.827 179.509 176.870 -0.313 0.000 1.095 413 L CA 0.774 55.355 54.840 -0.431 0.000 0.770 413 L CB -0.660 40.824 42.059 -0.958 0.000 0.914 413 L HN 0.231 nan 8.230 nan 0.000 0.439 414 A N -0.186 122.560 122.820 -0.122 0.000 1.834 414 A HA -0.330 3.991 4.320 0.001 0.000 0.216 414 A C 2.211 179.931 177.584 0.226 0.000 1.203 414 A CA 2.007 54.253 52.037 0.349 0.000 0.621 414 A CB -0.899 18.315 19.000 0.356 0.000 0.841 414 A HN 0.436 nan 8.150 nan 0.000 0.446 415 Q N -0.728 119.160 119.800 0.147 0.000 2.224 415 Q HA -0.247 4.094 4.340 0.001 0.000 0.213 415 Q C 2.075 178.096 176.000 0.036 0.000 0.998 415 Q CA 2.000 57.866 55.803 0.105 0.000 0.895 415 Q CB -0.278 28.540 28.738 0.134 0.000 0.926 415 Q HN 0.700 nan 8.270 nan 0.000 0.417 416 L N -0.693 120.497 121.223 -0.054 0.000 2.005 416 L HA -0.168 4.172 4.340 0.001 0.000 0.207 416 L C 2.347 179.259 176.870 0.070 0.000 1.072 416 L CA 0.974 55.725 54.840 -0.148 0.000 0.744 416 L CB -0.490 41.334 42.059 -0.391 0.000 0.895 416 L HN 0.287 nan 8.230 nan 0.000 0.433 417 F N 1.065 121.002 119.950 -0.022 0.000 2.091 417 F HA -0.282 4.246 4.527 0.000 0.000 0.299 417 F C 2.451 178.306 175.800 0.091 0.000 1.103 417 F CA 1.568 59.604 58.000 0.059 0.000 1.228 417 F CB -0.402 38.708 39.000 0.184 0.000 0.984 417 F HN -0.047 nan 8.300 nan 0.000 0.477 418 K N -0.597 119.895 120.400 0.154 0.000 1.965 418 K HA -0.184 4.137 4.320 0.001 0.000 0.218 418 K C 1.907 178.514 176.600 0.012 0.000 1.048 418 K CA 2.420 58.737 56.287 0.051 0.000 0.960 418 K CB -0.903 31.633 32.500 0.060 0.000 0.732 418 K HN 0.164 nan 8.250 nan 0.000 0.444 419 T N 2.282 116.841 114.554 0.008 0.000 2.751 419 T HA -0.191 4.159 4.350 0.001 0.000 0.268 419 T C 1.850 176.532 174.700 -0.030 0.000 1.045 419 T CA 1.325 63.413 62.100 -0.021 0.000 1.142 419 T CB -0.212 68.642 68.868 -0.024 0.000 0.851 419 T HN 0.126 nan 8.240 nan 0.000 0.474 420 L N -0.566 120.659 121.223 0.002 0.000 2.022 420 L HA 0.107 4.447 4.340 0.001 0.000 0.204 420 L C 2.223 179.104 176.870 0.018 0.000 1.076 420 L CA 0.923 55.774 54.840 0.017 0.000 0.749 420 L CB -0.630 41.474 42.059 0.075 0.000 0.903 420 L HN 0.130 nan 8.230 nan 0.000 0.439 421 F N 1.456 121.276 119.950 -0.216 0.000 2.257 421 F HA -0.278 4.249 4.527 0.000 0.000 0.302 421 F C 2.177 177.814 175.800 -0.272 0.000 1.056 421 F CA 1.541 59.333 58.000 -0.347 0.000 1.353 421 F CB -0.342 38.258 39.000 -0.668 0.000 1.064 421 F HN -0.017 nan 8.300 nan 0.000 0.520 422 K N -0.347 119.891 120.400 -0.270 0.000 2.211 422 K HA -0.070 4.251 4.320 0.001 0.000 0.201 422 K C 2.067 178.530 176.600 -0.228 0.000 1.052 422 K CA 0.659 56.744 56.287 -0.335 0.000 0.973 422 K CB -0.134 32.227 32.500 -0.232 0.000 0.766 422 K HN 0.140 nan 8.250 nan 0.000 0.466 423 K N 1.035 121.352 120.400 -0.137 0.000 2.365 423 K HA -0.069 4.251 4.320 0.001 0.000 0.199 423 K C 1.858 178.410 176.600 -0.080 0.000 1.045 423 K CA 0.458 56.690 56.287 -0.092 0.000 0.962 423 K CB 0.181 32.646 32.500 -0.058 0.000 0.759 423 K HN 0.001 nan 8.250 nan 0.000 0.469 424 L N 0.398 121.561 121.223 -0.100 0.000 2.127 424 L HA -0.006 4.334 4.340 0.001 0.000 0.203 424 L C 1.836 178.642 176.870 -0.107 0.000 1.080 424 L CA 1.694 56.496 54.840 -0.064 0.000 0.768 424 L CB -0.444 41.609 42.059 -0.009 0.000 0.924 424 L HN -0.015 nan 8.230 nan 0.000 0.444 425 T N 0.468 114.863 114.554 -0.265 0.000 2.821 425 T HA -0.169 4.181 4.350 0.001 0.000 0.267 425 T C 1.454 176.067 174.700 -0.145 0.000 1.046 425 T CA 1.720 63.647 62.100 -0.287 0.000 1.139 425 T CB -0.213 68.324 68.868 -0.551 0.000 0.871 425 T HN 0.508 nan 8.240 nan 0.000 0.454 426 K N 0.497 120.802 120.400 -0.158 0.000 2.437 426 K HA 0.174 4.495 4.320 0.001 0.000 0.198 426 K C 1.067 177.681 176.600 0.023 0.000 1.024 426 K CA 0.392 56.609 56.287 -0.116 0.000 1.148 426 K CB 0.369 32.770 32.500 -0.167 0.000 0.860 426 K HN 0.103 nan 8.250 nan 0.000 0.515 427 D N 0.781 121.203 120.400 0.038 0.000 2.422 427 D HA 0.161 4.801 4.640 0.001 0.000 0.218 427 D C 1.655 178.029 176.300 0.123 0.000 1.047 427 D CA 0.247 54.290 54.000 0.072 0.000 0.885 427 D CB 0.386 41.206 40.800 0.034 0.000 1.035 427 D HN 0.222 nan 8.370 nan 0.000 0.502 428 I N 0.552 121.200 120.570 0.129 0.000 2.493 428 I HA -0.212 3.959 4.170 0.001 0.000 0.254 428 I C 2.030 178.303 176.117 0.260 0.000 1.160 428 I CA 0.552 61.951 61.300 0.165 0.000 1.445 428 I CB -0.102 38.009 38.000 0.186 0.000 1.086 428 I HN -0.072 nan 8.210 nan 0.000 0.433 429 F N 1.601 121.584 119.950 0.056 0.000 2.206 429 F HA -0.069 4.458 4.527 0.001 0.000 0.298 429 F C 2.384 178.227 175.800 0.071 0.000 1.090 429 F CA 1.327 59.360 58.000 0.054 0.000 1.323 429 F CB -0.264 38.749 39.000 0.021 0.000 1.028 429 F HN -0.105 nan 8.300 nan 0.000 0.492 430 R N -1.673 118.968 120.500 0.236 0.000 2.357 430 R HA -0.159 4.181 4.340 0.001 0.000 0.202 430 R C 1.182 177.570 176.300 0.146 0.000 1.047 430 R CA 0.592 56.781 56.100 0.149 0.000 1.034 430 R CB -0.425 29.955 30.300 0.134 0.000 0.875 430 R HN 0.374 nan 8.270 nan 0.000 0.473 431 Y N -0.155 120.153 120.300 0.013 0.000 2.559 431 Y HA 0.134 4.684 4.550 0.000 0.000 0.279 431 Y C 1.931 177.806 175.900 -0.042 0.000 1.117 431 Y CA 0.568 58.666 58.100 -0.004 0.000 1.263 431 Y CB 0.364 38.833 38.460 0.015 0.000 1.230 431 Y HN -0.152 nan 8.280 nan 0.000 0.528 432 M N -0.291 119.333 119.600 0.041 0.000 2.288 432 M HA -0.102 4.379 4.480 0.001 0.000 0.266 432 M C 1.019 177.221 176.300 -0.162 0.000 1.072 432 M CA 1.283 56.530 55.300 -0.088 0.000 1.132 432 M CB -0.082 32.433 32.600 -0.141 0.000 1.386 432 M HN 0.118 nan 8.290 nan 0.000 0.432 433 Q N 0.595 120.296 119.800 -0.164 0.000 2.265 433 Q HA 0.071 4.411 4.340 0.001 0.000 0.217 433 Q C 0.711 176.653 176.000 -0.097 0.000 0.916 433 Q CA 0.291 56.010 55.803 -0.141 0.000 0.948 433 Q CB 0.152 28.823 28.738 -0.111 0.000 1.020 433 Q HN 0.470 nan 8.270 nan 0.000 0.462 434 R N -2.011 118.412 120.500 -0.128 0.000 2.540 434 R HA 0.071 4.412 4.340 0.001 0.000 0.273 434 R C -0.065 176.132 176.300 -0.171 0.000 0.937 434 R CA 0.019 56.040 56.100 -0.131 0.000 1.127 434 R CB 0.879 31.104 30.300 -0.126 0.000 1.745 434 R HN -0.079 nan 8.270 nan 0.000 0.485 435 T N 2.194 116.624 114.554 -0.208 0.000 3.474 435 T HA 0.057 4.407 4.350 0.001 0.000 0.270 435 T C 1.017 175.643 174.700 -0.124 0.000 1.079 435 T CA 0.179 62.159 62.100 -0.200 0.000 1.110 435 T CB 0.550 69.296 68.868 -0.203 0.000 1.087 435 T HN -0.079 nan 8.240 nan 0.000 0.784 436 V N 2.518 122.371 119.914 -0.103 0.000 3.559 436 V HA -0.006 4.115 4.120 0.001 0.000 0.272 436 V C 1.194 177.251 176.094 -0.062 0.000 1.235 436 V CA 0.797 63.054 62.300 -0.072 0.000 1.192 436 V CB -1.303 30.485 31.823 -0.059 0.000 0.930 436 V HN 0.726 nan 8.190 nan 0.000 0.492 447 A N 0.207 122.721 122.820 -0.510 0.000 3.384 447 A HA -0.201 4.119 4.320 0.001 0.000 0.260 447 A C 0.226 177.628 177.584 -0.303 0.000 1.168 447 A CA 1.576 53.151 52.037 -0.770 0.000 1.253 447 A CB -2.251 15.723 19.000 -1.710 0.000 1.122 447 A HN 0.616 nan 8.150 nan 0.000 0.934 448 I N 1.134 121.610 120.570 -0.157 0.000 2.347 448 I HA 0.221 4.391 4.170 0.001 0.000 0.283 448 I C 0.320 176.436 176.117 -0.001 0.000 1.058 448 I CA -0.434 60.840 61.300 -0.044 0.000 1.202 448 I CB 0.957 38.957 38.000 0.000 0.000 1.386 448 I HN 0.344 nan 8.210 nan 0.000 0.475 449 N N 5.072 123.776 118.700 0.007 0.000 3.050 449 N HA 0.181 4.921 4.740 0.001 0.000 0.289 449 N C 1.249 176.777 175.510 0.029 0.000 1.209 449 N CA -0.034 53.035 53.050 0.032 0.000 1.154 449 N CB 0.717 39.223 38.487 0.033 0.000 1.444 449 N HN 0.681 nan 8.380 nan 0.000 0.529 450 A N 2.268 125.100 122.820 0.020 0.000 2.309 450 A HA -0.161 4.160 4.320 0.001 0.000 0.210 450 A C 2.036 179.606 177.584 -0.022 0.000 1.216 450 A CA 0.891 52.877 52.037 -0.086 0.000 0.731 450 A CB -0.437 18.352 19.000 -0.351 0.000 0.762 450 A HN 0.678 nan 8.150 nan 0.000 0.497 451 K N -0.866 119.564 120.400 0.050 0.000 2.243 451 K HA -0.051 4.269 4.320 0.001 0.000 0.201 451 K C 1.595 178.223 176.600 0.048 0.000 1.051 451 K CA 1.319 57.648 56.287 0.070 0.000 0.970 451 K CB -0.088 32.460 32.500 0.079 0.000 0.755 451 K HN 0.419 nan 8.250 nan 0.000 0.465 452 T N 1.446 116.020 114.554 0.034 0.000 2.788 452 T HA -0.082 4.269 4.350 0.001 0.000 0.268 452 T C 1.761 176.481 174.700 0.034 0.000 1.044 452 T CA 1.211 63.327 62.100 0.027 0.000 1.139 452 T CB -0.050 68.830 68.868 0.020 0.000 0.867 452 T HN 0.177 nan 8.240 nan 0.000 0.454 453 I N 1.107 121.703 120.570 0.043 0.000 2.277 453 I HA -0.110 4.060 4.170 0.001 0.000 0.243 453 I C 2.734 178.885 176.117 0.057 0.000 1.094 453 I CA 1.024 62.369 61.300 0.074 0.000 1.393 453 I CB -0.807 37.258 38.000 0.109 0.000 1.078 453 I HN 0.213 nan 8.210 nan 0.000 0.417 454 T N 0.737 115.317 114.554 0.043 0.000 2.684 454 T HA -0.199 4.151 4.350 0.001 0.000 0.267 454 T C 2.086 176.825 174.700 0.066 0.000 1.036 454 T CA 2.086 64.222 62.100 0.060 0.000 1.148 454 T CB -0.464 68.459 68.868 0.093 0.000 0.863 454 T HN 0.515 nan 8.240 nan 0.000 0.436 455 S N 1.451 117.191 115.700 0.066 0.000 2.371 455 S HA 0.047 4.518 4.470 0.001 0.000 0.224 455 S C 2.463 177.112 174.600 0.081 0.000 1.029 455 S CA 1.059 59.305 58.200 0.076 0.000 0.978 455 S CB -1.249 61.995 63.200 0.073 0.000 0.833 455 S HN 0.524 nan 8.310 nan 0.000 0.466 456 G N 2.402 111.231 108.800 0.049 0.000 2.476 456 G HA2 -0.133 3.827 3.960 0.001 0.000 0.218 456 G HA3 -0.133 3.827 3.960 0.001 0.000 0.218 456 G C 1.473 176.385 174.900 0.021 0.000 1.164 456 G CA 1.116 46.230 45.100 0.023 0.000 0.768 456 G HN 0.502 nan 8.290 nan 0.000 0.560 457 L N -0.155 121.068 121.223 0.000 0.000 2.079 457 L HA -0.107 4.234 4.340 0.001 0.000 0.210 457 L C 3.009 179.872 176.870 -0.011 0.000 1.081 457 L CA 1.412 56.224 54.840 -0.046 0.000 0.752 457 L CB -0.341 41.706 42.059 -0.019 0.000 0.896 457 L HN 0.215 nan 8.230 nan 0.000 0.433 458 K N -0.775 119.653 120.400 0.046 0.000 1.985 458 K HA -0.240 4.080 4.320 0.001 0.000 0.210 458 K C 2.128 178.765 176.600 0.060 0.000 1.047 458 K CA 1.820 58.141 56.287 0.056 0.000 0.932 458 K CB -0.484 32.058 32.500 0.069 0.000 0.716 458 K HN 0.098 nan 8.250 nan 0.000 0.439 459 Y N 1.562 121.857 120.300 -0.009 0.000 2.030 459 Y HA -0.413 4.138 4.550 0.000 0.000 0.272 459 Y C 2.154 178.060 175.900 0.009 0.000 1.185 459 Y CA 1.931 60.031 58.100 0.000 0.000 1.120 459 Y CB -0.517 37.938 38.460 -0.008 0.000 0.955 459 Y HN 0.163 nan 8.280 nan 0.000 0.495 460 A N 0.161 123.106 122.820 0.209 0.000 1.836 460 A HA -0.255 4.066 4.320 0.001 0.000 0.215 460 A C 1.932 179.630 177.584 0.190 0.000 1.214 460 A CA 2.170 54.286 52.037 0.131 0.000 0.636 460 A CB -1.414 17.389 19.000 -0.328 0.000 0.847 460 A HN 0.448 nan 8.150 nan 0.000 0.451 461 L N -0.350 120.938 121.223 0.108 0.000 2.651 461 L HA -0.108 4.232 4.340 0.001 0.000 0.236 461 L C 2.517 179.398 176.870 0.018 0.000 1.173 461 L CA 1.429 56.321 54.840 0.086 0.000 0.843 461 L CB -0.723 41.295 42.059 -0.069 0.000 0.964 461 L HN 0.482 nan 8.230 nan 0.000 0.454 462 A N -2.035 120.775 122.820 -0.017 0.000 2.115 462 A HA 0.070 4.390 4.320 0.001 0.000 0.211 462 A C 2.002 179.522 177.584 -0.107 0.000 1.169 462 A CA 1.240 53.234 52.037 -0.071 0.000 0.787 462 A CB -0.184 18.751 19.000 -0.109 0.000 0.858 462 A HN 0.429 nan 8.150 nan 0.000 0.474 463 T N -5.795 108.692 114.554 -0.111 0.000 3.057 463 T HA 0.462 4.812 4.350 0.001 0.000 0.254 463 T C 1.415 176.101 174.700 -0.024 0.000 0.965 463 T CA 0.999 63.037 62.100 -0.103 0.000 0.978 463 T CB 0.607 69.355 68.868 -0.200 0.000 1.169 463 T HN 1.418 nan 8.240 nan 0.000 0.489 464 G N 2.082 110.914 108.800 0.054 0.000 2.316 464 G HA2 -0.193 3.768 3.960 0.001 0.000 0.203 464 G HA3 -0.193 3.768 3.960 0.001 0.000 0.203 464 G C -0.077 174.925 174.900 0.170 0.000 0.999 464 G CA -0.411 44.721 45.100 0.054 0.000 0.649 464 G HN 0.536 nan 8.290 nan 0.000 0.489 465 N N 1.183 120.003 118.700 0.199 0.000 2.410 465 N HA 0.107 4.847 4.740 0.001 0.000 0.281 465 N C 1.033 176.802 175.510 0.433 0.000 1.241 465 N CA -0.262 52.956 53.050 0.279 0.000 0.998 465 N CB 0.327 38.995 38.487 0.302 0.000 1.376 465 N HN 0.549 nan 8.380 nan 0.000 0.490 466 W N 2.373 123.709 121.300 0.060 0.000 2.282 466 W HA -0.119 4.541 4.660 0.001 0.000 0.325 466 W C 1.760 178.311 176.519 0.055 0.000 1.211 466 W CA 0.356 57.728 57.345 0.045 0.000 1.209 466 W CB -0.128 29.339 29.460 0.012 0.000 1.185 466 W HN 0.482 nan 8.180 nan 0.000 0.454 467 G N 1.970 110.911 108.800 0.235 0.000 2.946 467 G HA2 0.022 3.982 3.960 0.001 0.000 0.246 467 G HA3 0.022 3.982 3.960 0.001 0.000 0.246 467 G C -0.245 174.662 174.900 0.011 0.000 0.822 467 G CA 0.781 45.930 45.100 0.083 0.000 1.943 467 G HN 0.490 nan 8.290 nan 0.000 0.580 468 E N -1.718 118.453 120.200 -0.048 0.000 4.014 468 E HA -0.259 4.091 4.350 0.001 0.000 0.209 468 E C 0.988 177.409 176.600 -0.300 0.000 1.457 468 E CA 1.481 57.772 56.400 -0.183 0.000 2.314 468 E CB -0.528 29.080 29.700 -0.153 0.000 2.109 468 E HN 0.563 nan 8.360 nan 0.000 0.486 469 Q N 0.453 119.998 119.800 -0.424 0.000 2.968 469 Q HA 0.400 4.741 4.340 0.001 0.000 0.245 469 Q C -0.159 175.753 176.000 -0.147 0.000 1.136 469 Q CA -0.314 55.251 55.803 -0.398 0.000 0.410 469 Q CB 0.143 28.562 28.738 -0.533 0.000 5.262 469 Q HN 0.392 nan 8.270 nan 0.000 0.356 470 K N 0.463 120.791 120.400 -0.120 0.000 1.929 470 K HA -0.238 4.083 4.320 0.001 0.000 0.545 470 K C -0.660 175.928 176.600 -0.021 0.000 1.695 470 K CA 1.208 57.462 56.287 -0.056 0.000 1.020 470 K CB -0.311 32.158 32.500 -0.051 0.000 1.614 470 K HN 0.250 nan 8.250 nan 0.000 0.730 471 K N 1.097 121.492 120.400 -0.009 0.000 3.000 471 K HA 0.297 4.617 4.320 0.001 0.000 0.265 471 K C -0.471 176.133 176.600 0.007 0.000 1.260 471 K CA 0.243 56.532 56.287 0.004 0.000 1.209 471 K CB 0.108 32.611 32.500 0.004 0.000 1.484 471 K HN 0.444 nan 8.250 nan 0.000 0.283 472 A N 0.674 123.500 122.820 0.010 0.000 2.577 472 A HA 0.326 4.646 4.320 0.001 0.000 0.297 472 A C 0.039 177.642 177.584 0.032 0.000 1.060 472 A CA -0.733 51.315 52.037 0.017 0.000 0.697 472 A CB 1.015 20.021 19.000 0.011 0.000 1.281 472 A HN 0.358 nan 8.150 nan 0.000 0.402 473 M N 1.701 121.323 119.600 0.037 0.000 2.561 473 M HA -0.037 4.443 4.480 0.001 0.000 0.238 473 M C 2.082 178.414 176.300 0.053 0.000 1.131 473 M CA 0.993 56.322 55.300 0.049 0.000 1.046 473 M CB -0.282 32.341 32.600 0.039 0.000 1.532 473 M HN 1.146 nan 8.290 nan 0.000 0.497 474 S N 0.251 115.978 115.700 0.044 0.000 2.654 474 S HA -0.288 4.182 4.470 0.001 0.000 0.329 474 S C 1.217 175.856 174.600 0.065 0.000 1.311 474 S CA 2.027 60.255 58.200 0.046 0.000 1.122 474 S CB -1.496 61.727 63.200 0.037 0.000 1.159 474 S HN 0.673 nan 8.310 nan 0.000 0.443 475 S N 2.529 118.284 115.700 0.091 0.000 2.566 475 S HA 0.534 5.005 4.470 0.001 0.000 0.277 475 S C 0.167 174.819 174.600 0.087 0.000 1.150 475 S CA -0.900 57.373 58.200 0.121 0.000 1.032 475 S CB 0.401 63.722 63.200 0.203 0.000 1.157 475 S HN 0.782 nan 8.310 nan 0.000 0.507 476 R N -0.090 120.460 120.500 0.084 0.000 2.396 476 R HA 0.640 4.980 4.340 0.001 0.000 0.292 476 R C -0.495 175.807 176.300 0.003 0.000 1.240 476 R CA -0.485 55.628 56.100 0.021 0.000 1.270 476 R CB 0.324 30.610 30.300 -0.023 0.000 1.108 476 R HN 0.618 nan 8.270 nan 0.000 0.573 477 A N 2.067 124.901 122.820 0.024 0.000 3.017 477 A HA 0.274 4.594 4.320 0.001 0.000 0.283 477 A C 1.000 178.564 177.584 -0.034 0.000 1.892 477 A CA 0.503 52.548 52.037 0.013 0.000 1.469 477 A CB -0.620 18.396 19.000 0.026 0.000 0.999 477 A HN 0.993 nan 8.150 nan 0.000 0.605 478 G N 0.438 109.189 108.800 -0.082 0.000 2.371 478 G HA2 0.283 4.243 3.960 0.001 0.000 0.205 478 G HA3 0.283 4.243 3.960 0.001 0.000 0.205 478 G C 0.285 175.087 174.900 -0.164 0.000 1.486 478 G CA 0.378 45.415 45.100 -0.105 0.000 0.553 478 G HN 0.490 nan 8.290 nan 0.000 1.124 479 V N 1.881 121.626 119.914 -0.283 0.000 3.032 479 V HA 0.387 4.508 4.120 0.001 0.000 0.307 479 V C 1.129 177.032 176.094 -0.318 0.000 1.097 479 V CA 0.766 62.807 62.300 -0.432 0.000 1.191 479 V CB 0.973 32.242 31.823 -0.924 0.000 0.964 479 V HN 1.272 nan 8.190 nan 0.000 0.494 480 S N 2.400 117.927 115.700 -0.289 0.000 3.385 480 S HA -0.146 4.324 4.470 0.001 0.000 0.613 480 S C -0.519 174.015 174.600 -0.109 0.000 0.653 480 S CA 0.883 58.977 58.200 -0.176 0.000 1.401 480 S CB -0.619 62.522 63.200 -0.099 0.000 1.031 480 S HN 0.866 nan 8.310 nan 0.000 0.883 481 Q N 2.209 121.952 119.800 -0.095 0.000 2.962 481 Q HA 0.754 5.094 4.340 0.001 0.000 0.282 481 Q C -0.602 175.376 176.000 -0.036 0.000 1.058 481 Q CA -1.155 54.628 55.803 -0.033 0.000 0.854 481 Q CB 1.305 30.080 28.738 0.061 0.000 1.441 481 Q HN 0.506 nan 8.270 nan 0.000 0.497 482 V N 2.076 121.992 119.914 0.003 0.000 2.333 482 V HA 0.137 4.257 4.120 0.001 0.000 0.274 482 V C -0.242 175.850 176.094 -0.003 0.000 1.028 482 V CA -0.648 61.628 62.300 -0.040 0.000 0.851 482 V CB 0.632 32.418 31.823 -0.061 0.000 1.000 482 V HN 0.533 nan 8.190 nan 0.000 0.456 483 L N 5.220 126.369 121.223 -0.123 0.000 2.678 483 L HA -0.015 4.326 4.340 0.001 0.000 0.285 483 L C 0.500 177.283 176.870 -0.145 0.000 1.233 483 L CA 0.757 55.510 54.840 -0.146 0.000 0.920 483 L CB -0.370 41.437 42.059 -0.419 0.000 1.176 483 L HN 0.669 nan 8.230 nan 0.000 0.495 484 N N 3.754 122.436 118.700 -0.029 0.000 2.416 484 N HA 0.124 4.864 4.740 0.001 0.000 0.271 484 N C -0.118 175.095 175.510 -0.495 0.000 1.245 484 N CA 0.246 52.961 53.050 -0.559 0.000 0.940 484 N CB 0.180 38.272 38.487 -0.658 0.000 1.175 484 N HN 0.390 nan 8.380 nan 0.000 0.483 485 R N 2.232 122.398 120.500 -0.557 0.000 3.311 485 R HA 0.246 4.587 4.340 0.001 0.000 0.332 485 R C 0.225 176.330 176.300 -0.325 0.000 1.317 485 R CA -0.115 55.684 56.100 -0.501 0.000 1.192 485 R CB -0.281 29.566 30.300 -0.755 0.000 1.454 485 R HN 0.700 nan 8.270 nan 0.000 0.605 486 Y N -1.885 118.327 120.300 -0.145 0.000 2.177 486 Y HA 0.135 4.685 4.550 0.001 0.000 0.291 486 Y C 0.712 176.681 175.900 0.115 0.000 1.117 486 Y CA 0.109 58.186 58.100 -0.039 0.000 1.114 486 Y CB 0.638 39.063 38.460 -0.058 0.000 1.017 486 Y HN -0.089 nan 8.280 nan 0.000 0.505 487 T N -1.532 113.200 114.554 0.297 0.000 2.903 487 T HA 0.119 4.469 4.350 0.001 0.000 0.299 487 T C -0.283 174.575 174.700 0.262 0.000 1.093 487 T CA -0.689 61.584 62.100 0.288 0.000 1.002 487 T CB 1.810 70.820 68.868 0.236 0.000 1.127 487 T HN 0.058 nan 8.240 nan 0.000 0.488 488 Y N 2.854 123.262 120.300 0.180 0.000 2.040 488 Y HA -0.251 4.299 4.550 0.000 0.000 0.275 488 Y C 2.803 178.779 175.900 0.127 0.000 1.171 488 Y CA 2.766 60.953 58.100 0.145 0.000 1.123 488 Y CB -0.729 37.792 38.460 0.102 0.000 0.963 488 Y HN 0.734 nan 8.280 nan 0.000 0.493 489 S N -1.463 114.316 115.700 0.131 0.000 2.402 489 S HA -0.278 4.192 4.470 0.001 0.000 0.233 489 S C 2.289 176.852 174.600 -0.062 0.000 1.030 489 S CA 1.601 59.809 58.200 0.013 0.000 1.003 489 S CB -1.166 62.103 63.200 0.115 0.000 0.813 489 S HN 0.528 nan 8.310 nan 0.000 0.477 490 S N 1.312 117.007 115.700 -0.009 0.000 2.357 490 S HA -0.098 4.372 4.470 0.001 0.000 0.221 490 S C 1.973 176.513 174.600 -0.100 0.000 1.031 490 S CA 1.680 59.859 58.200 -0.035 0.000 0.982 490 S CB -1.273 61.943 63.200 0.027 0.000 0.853 490 S HN 0.692 nan 8.310 nan 0.000 0.458 491 T N 3.423 117.899 114.554 -0.131 0.000 2.699 491 T HA -0.071 4.280 4.350 0.001 0.000 0.268 491 T C 1.724 176.329 174.700 -0.159 0.000 1.036 491 T CA 1.656 63.664 62.100 -0.153 0.000 1.147 491 T CB -0.514 68.258 68.868 -0.160 0.000 0.862 491 T HN 0.322 nan 8.240 nan 0.000 0.446 492 L N 0.609 121.680 121.223 -0.253 0.000 1.976 492 L HA -0.134 4.207 4.340 0.001 0.000 0.209 492 L C 2.908 179.710 176.870 -0.114 0.000 1.071 492 L CA 1.393 56.107 54.840 -0.209 0.000 0.746 492 L CB -0.959 40.942 42.059 -0.263 0.000 0.890 492 L HN 0.269 nan 8.230 nan 0.000 0.432 493 S N -1.183 114.455 115.700 -0.103 0.000 2.380 493 S HA -0.333 4.137 4.470 0.001 0.000 0.229 493 S C 1.998 176.593 174.600 -0.009 0.000 1.043 493 S CA 1.781 59.941 58.200 -0.065 0.000 1.038 493 S CB -0.503 62.656 63.200 -0.069 0.000 0.872 493 S HN 0.517 nan 8.310 nan 0.000 0.456 494 H N -0.363 118.627 119.070 -0.135 0.000 2.423 494 H HA 0.049 4.605 4.556 0.001 0.000 0.297 494 H C 1.994 177.257 175.328 -0.108 0.000 1.075 494 H CA 1.258 57.225 56.048 -0.135 0.000 1.342 494 H CB -0.001 29.653 29.762 -0.180 0.000 1.395 494 H HN 0.362 nan 8.280 nan 0.000 0.530 495 L N 0.106 121.305 121.223 -0.039 0.000 2.131 495 L HA -0.055 4.285 4.340 0.001 0.000 0.206 495 L C 1.633 178.469 176.870 -0.058 0.000 1.087 495 L CA 0.811 55.601 54.840 -0.083 0.000 0.767 495 L CB -0.019 42.005 42.059 -0.058 0.000 0.917 495 L HN 0.168 nan 8.230 nan 0.000 0.441 496 R N 0.261 120.733 120.500 -0.048 0.000 2.752 496 R HA 0.123 4.463 4.340 0.001 0.000 0.279 496 R C 0.202 176.478 176.300 -0.040 0.000 1.212 496 R CA -0.145 55.926 56.100 -0.049 0.000 1.169 496 R CB -0.097 30.167 30.300 -0.060 0.000 1.286 496 R HN 0.174 nan 8.270 nan 0.000 0.564 497 R N 0.288 120.772 120.500 -0.027 0.000 2.428 497 R HA 0.231 4.571 4.340 0.001 0.000 0.294 497 R C -0.717 175.565 176.300 -0.030 0.000 1.000 497 R CA -0.030 56.059 56.100 -0.018 0.000 0.960 497 R CB 1.501 31.820 30.300 0.031 0.000 1.076 497 R HN -0.143 nan 8.270 nan 0.000 0.475 498 T N 2.447 116.983 114.554 -0.032 0.000 2.856 498 T HA 0.331 4.681 4.350 0.001 0.000 0.283 498 T C -0.977 173.703 174.700 -0.034 0.000 1.008 498 T CA -0.607 61.476 62.100 -0.028 0.000 0.997 498 T CB 1.307 70.172 68.868 -0.005 0.000 0.992 498 T HN 0.614 nan 8.240 nan 0.000 0.454 499 N N 0.492 119.168 118.700 -0.040 0.000 2.619 499 N HA 0.731 5.471 4.740 0.001 0.000 0.294 499 N C -1.526 173.966 175.510 -0.030 0.000 1.279 499 N CA -0.394 52.630 53.050 -0.044 0.000 0.867 499 N CB 1.982 40.428 38.487 -0.068 0.000 1.329 499 N HN 0.483 nan 8.380 nan 0.000 0.557 500 T N 1.299 115.835 114.554 -0.029 0.000 3.578 500 T HA 0.340 4.690 4.350 0.001 0.000 0.343 500 T C -2.944 171.744 174.700 -0.022 0.000 1.126 500 T CA -0.621 61.470 62.100 -0.015 0.000 1.092 500 T CB 1.736 70.608 68.868 0.006 0.000 1.160 500 T HN 0.452 nan 8.240 nan 0.000 0.469 501 P HA 0.404 nan 4.420 nan 0.000 0.276 501 P C -0.635 176.656 177.300 -0.016 0.000 1.253 501 P CA -0.440 62.646 63.100 -0.023 0.000 0.766 501 P CB 0.291 31.978 31.700 -0.023 0.000 0.845 508 L N 2.272 123.487 121.223 -0.013 0.000 2.344 508 L HA 0.894 5.235 4.340 0.001 0.000 0.272 508 L C -0.035 176.828 176.870 -0.011 0.000 1.035 508 L CA 0.761 55.596 54.840 -0.009 0.000 0.807 508 L CB 1.586 43.640 42.059 -0.009 0.000 1.237 508 L HN 1.000 nan 8.230 nan 0.000 0.442 509 A N 2.777 125.593 122.820 -0.005 0.000 3.957 509 A HA -0.011 4.309 4.320 0.001 0.000 0.196 509 A C 0.803 178.390 177.584 0.005 0.000 1.569 509 A CA 0.172 52.206 52.037 -0.005 0.000 1.037 509 A CB -0.978 18.013 19.000 -0.016 0.000 0.971 509 A HN 0.822 nan 8.150 nan 0.000 0.480 510 K N 0.173 120.574 120.400 0.002 0.000 2.030 510 K HA -0.187 4.134 4.320 0.001 0.000 0.222 510 K C -0.628 175.994 176.600 0.036 0.000 1.056 510 K CA 2.218 58.516 56.287 0.017 0.000 0.957 510 K CB -1.950 30.547 32.500 -0.005 0.000 0.727 510 K HN 0.395 nan 8.250 nan 0.000 0.452 511 P HA -0.224 nan 4.420 nan 0.000 0.214 511 P C 1.123 178.462 177.300 0.064 0.000 1.164 511 P CA 2.048 65.173 63.100 0.042 0.000 0.942 511 P CB -0.187 31.525 31.700 0.019 0.000 0.791 512 R N -1.063 119.460 120.500 0.039 0.000 2.139 512 R HA -0.140 4.201 4.340 0.001 0.000 0.243 512 R C 1.391 177.722 176.300 0.051 0.000 1.145 512 R CA 0.760 56.880 56.100 0.033 0.000 0.976 512 R CB -0.865 29.444 30.300 0.016 0.000 0.866 512 R HN 0.320 nan 8.270 nan 0.000 0.449 513 Q N 0.691 120.530 119.800 0.065 0.000 2.523 513 Q HA -0.016 4.325 4.340 0.001 0.000 0.283 513 Q C -0.779 175.302 176.000 0.134 0.000 1.140 513 Q CA 0.372 56.222 55.803 0.078 0.000 0.981 513 Q CB 0.378 29.161 28.738 0.076 0.000 1.310 513 Q HN 0.051 nan 8.270 nan 0.000 0.483 514 L N 2.866 124.160 121.223 0.119 0.000 2.259 514 L HA 0.291 4.631 4.340 0.001 0.000 0.288 514 L C -0.918 176.060 176.870 0.180 0.000 1.051 514 L CA -0.109 54.844 54.840 0.188 0.000 0.824 514 L CB 0.252 42.365 42.059 0.089 0.000 1.206 514 L HN 0.686 nan 8.230 nan 0.000 0.429 515 H N 2.914 122.064 119.070 0.133 0.000 2.597 515 H HA 0.272 4.828 4.556 0.001 0.000 0.370 515 H C 1.024 176.294 175.328 -0.096 0.000 1.281 515 H CA 0.781 56.724 56.048 -0.175 0.000 1.422 515 H CB 0.930 30.332 29.762 -0.600 0.000 1.524 515 H HN 0.749 nan 8.280 nan 0.000 0.607 516 N N -0.195 118.199 118.700 -0.510 0.000 2.135 516 N HA -0.162 4.579 4.740 0.001 0.000 0.186 516 N C 1.485 177.013 175.510 0.030 0.000 1.027 516 N CA 1.505 54.440 53.050 -0.192 0.000 0.849 516 N CB -0.113 38.200 38.487 -0.290 0.000 1.002 516 N HN 0.725 nan 8.380 nan 0.000 0.425 517 T N -0.860 113.772 114.554 0.129 0.000 2.996 517 T HA -0.138 4.212 4.350 0.001 0.000 0.271 517 T C 1.413 176.181 174.700 0.113 0.000 1.126 517 T CA 1.042 63.198 62.100 0.093 0.000 1.103 517 T CB -0.400 68.443 68.868 -0.043 0.000 0.870 517 T HN 0.240 nan 8.240 nan 0.000 0.528 518 H N -0.572 118.499 119.070 0.001 0.000 2.524 518 H HA 0.108 4.665 4.556 0.001 0.000 0.282 518 H C 0.928 176.216 175.328 -0.067 0.000 1.016 518 H CA -0.119 55.782 56.048 -0.246 0.000 1.270 518 H CB -0.533 29.085 29.762 -0.240 0.000 1.394 518 H HN 0.571 nan 8.280 nan 0.000 0.568 519 W N 2.127 123.446 121.300 0.031 0.000 2.314 519 W HA 0.097 4.758 4.660 0.001 0.000 0.339 519 W C 1.161 177.699 176.519 0.031 0.000 1.293 519 W CA 1.792 59.148 57.345 0.018 0.000 1.288 519 W CB 0.113 29.575 29.460 0.004 0.000 1.186 519 W HN 0.515 nan 8.180 nan 0.000 0.566 520 G N 4.108 112.485 108.800 -0.704 0.000 2.480 520 G HA2 -0.391 3.569 3.960 0.001 0.000 0.246 520 G HA3 -0.391 3.569 3.960 0.001 0.000 0.246 520 G C 0.994 175.819 174.900 -0.126 0.000 1.073 520 G CA 0.880 45.720 45.100 -0.432 0.000 0.643 520 G HN 0.586 nan 8.290 nan 0.000 0.525 521 L N -0.237 120.979 121.223 -0.012 0.000 2.202 521 L HA 0.320 4.660 4.340 0.001 0.000 0.205 521 L C 1.083 177.938 176.870 -0.025 0.000 1.083 521 L CA 0.734 55.607 54.840 0.055 0.000 0.790 521 L CB -0.094 42.119 42.059 0.257 0.000 0.942 521 L HN 0.210 nan 8.230 nan 0.000 0.452 522 V N -1.229 118.606 119.914 -0.131 0.000 2.960 522 V HA 0.216 4.336 4.120 0.001 0.000 0.315 522 V C -0.456 175.518 176.094 -0.200 0.000 1.087 522 V CA -1.199 60.984 62.300 -0.195 0.000 0.982 522 V CB 2.712 34.308 31.823 -0.380 0.000 1.039 522 V HN 0.152 nan 8.190 nan 0.000 0.437 523 C N 5.907 125.104 119.300 -0.173 0.000 2.585 523 C HA 0.374 4.835 4.460 0.001 0.000 0.406 523 C C -0.232 174.670 174.990 -0.147 0.000 1.312 523 C CA -0.913 58.015 59.018 -0.149 0.000 1.924 523 C CB 0.625 28.296 27.740 -0.115 0.000 2.578 523 C HN 0.856 nan 8.230 nan 0.000 0.580 524 P HA 0.016 nan 4.420 nan 0.000 0.219 524 P C 0.876 178.147 177.300 -0.050 0.000 1.154 524 P CA 1.909 64.963 63.100 -0.076 0.000 0.826 524 P CB 0.162 31.832 31.700 -0.049 0.000 0.795 525 A N -0.088 122.705 122.820 -0.044 0.000 2.115 525 A HA 0.049 4.369 4.320 0.001 0.000 0.211 525 A C 1.356 178.926 177.584 -0.022 0.000 1.169 525 A CA -0.029 51.995 52.037 -0.022 0.000 0.787 525 A CB -0.621 18.372 19.000 -0.013 0.000 0.858 525 A HN 0.216 nan 8.150 nan 0.000 0.474 526 E N 1.101 121.273 120.200 -0.046 0.000 1.893 526 E HA 0.357 4.707 4.350 0.001 0.000 0.269 526 E C -0.757 175.811 176.600 -0.054 0.000 1.129 526 E CA 0.024 56.396 56.400 -0.046 0.000 0.904 526 E CB 0.017 29.681 29.700 -0.061 0.000 1.077 526 E HN 0.152 nan 8.360 nan 0.000 0.407 527 T N 4.317 118.850 114.554 -0.036 0.000 2.932 527 T HA 0.380 4.730 4.350 0.001 0.000 0.318 527 T C -2.796 171.888 174.700 -0.028 0.000 1.265 527 T CA -1.621 60.454 62.100 -0.042 0.000 1.036 527 T CB 1.506 70.347 68.868 -0.045 0.000 1.209 527 T HN 0.309 nan 8.240 nan 0.000 0.484 528 P HA 0.253 nan 4.420 nan 0.000 0.271 528 P C -0.648 176.632 177.300 -0.035 0.000 1.218 528 P CA -0.196 62.879 63.100 -0.043 0.000 0.780 528 P CB 0.659 32.329 31.700 -0.050 0.000 0.901 529 E N 0.724 120.892 120.200 -0.052 0.000 2.343 529 E HA 0.403 4.754 4.350 0.001 0.000 0.269 529 E C 0.975 177.549 176.600 -0.043 0.000 1.047 529 E CA -0.429 55.943 56.400 -0.046 0.000 0.874 529 E CB 0.310 29.945 29.700 -0.108 0.000 1.033 529 E HN 0.743 nan 8.360 nan 0.000 0.409 530 G N 2.063 110.849 108.800 -0.024 0.000 2.622 530 G HA2 -0.423 3.538 3.960 0.001 0.000 0.272 530 G HA3 -0.423 3.538 3.960 0.001 0.000 0.272 530 G C 0.391 175.275 174.900 -0.026 0.000 1.308 530 G CA 0.555 45.640 45.100 -0.024 0.000 0.919 530 G HN 0.933 nan 8.290 nan 0.000 0.565 531 Q N -2.548 117.236 119.800 -0.027 0.000 2.289 531 Q HA -0.238 4.102 4.340 0.001 0.000 0.451 531 Q C 1.414 177.399 176.000 -0.024 0.000 0.683 531 Q CA 2.174 57.961 55.803 -0.027 0.000 0.903 531 Q CB -1.666 27.052 28.738 -0.033 0.000 3.084 531 Q HN 2.521 nan 8.270 nan 0.000 0.946 532 A N 0.797 123.600 122.820 -0.027 0.000 3.026 532 A HA 0.398 4.718 4.320 0.001 0.000 0.272 532 A C 0.051 177.619 177.584 -0.027 0.000 1.782 532 A CA 0.154 52.175 52.037 -0.026 0.000 1.451 532 A CB -0.648 18.334 19.000 -0.030 0.000 1.081 532 A HN 0.530 nan 8.150 nan 0.000 0.611 533 C N 1.525 120.812 119.300 -0.021 0.000 2.285 533 C HA 0.622 5.082 4.460 0.001 0.000 0.335 533 C C 1.569 176.549 174.990 -0.016 0.000 1.267 533 C CA 0.964 59.970 59.018 -0.019 0.000 1.762 533 C CB -0.841 26.892 27.740 -0.011 0.000 2.365 533 C HN 1.821 nan 8.230 nan 0.000 0.527 534 G N 4.737 113.521 108.800 -0.027 0.000 2.225 534 G HA2 -0.248 3.713 3.960 0.001 0.000 0.254 534 G HA3 -0.248 3.713 3.960 0.001 0.000 0.254 534 G C 0.553 175.436 174.900 -0.028 0.000 0.988 534 G CA 0.595 45.676 45.100 -0.030 0.000 0.625 534 G HN 0.742 nan 8.290 nan 0.000 0.527 535 L N 0.211 121.421 121.223 -0.022 0.000 2.446 535 L HA 0.314 4.655 4.340 0.001 0.000 0.219 535 L C 0.741 177.595 176.870 -0.027 0.000 1.116 535 L CA 0.478 55.309 54.840 -0.016 0.000 0.844 535 L CB 0.463 42.512 42.059 -0.016 0.000 0.970 535 L HN 0.141 nan 8.230 nan 0.000 0.457 536 V N 0.982 120.872 119.914 -0.040 0.000 2.326 536 V HA 0.263 4.384 4.120 0.001 0.000 0.281 536 V C -0.265 175.790 176.094 -0.066 0.000 1.015 536 V CA -0.667 61.605 62.300 -0.047 0.000 0.823 536 V CB 1.311 33.106 31.823 -0.046 0.000 1.009 536 V HN 0.126 nan 8.190 nan 0.000 0.436 537 K N 3.437 123.791 120.400 -0.077 0.000 2.203 537 K HA 0.555 4.875 4.320 0.001 0.000 0.251 537 K C -0.681 175.864 176.600 -0.093 0.000 0.944 537 K CA -0.897 55.319 56.287 -0.118 0.000 0.829 537 K CB 1.735 34.118 32.500 -0.196 0.000 1.125 537 K HN 0.440 nan 8.250 nan 0.000 0.430 538 N N 2.044 120.681 118.700 -0.105 0.000 2.372 538 N HA 0.308 5.049 4.740 0.001 0.000 0.291 538 N C -0.657 174.798 175.510 -0.091 0.000 1.024 538 N CA -0.502 52.498 53.050 -0.083 0.000 0.873 538 N CB 1.155 39.596 38.487 -0.077 0.000 1.206 538 N HN 0.363 nan 8.380 nan 0.000 0.486 539 L N 1.479 122.661 121.223 -0.068 0.000 2.456 539 L HA 0.098 4.438 4.340 0.001 0.000 0.272 539 L C 1.371 178.197 176.870 -0.074 0.000 1.189 539 L CA 0.124 54.927 54.840 -0.062 0.000 0.846 539 L CB 0.325 42.354 42.059 -0.050 0.000 1.111 539 L HN 0.423 nan 8.230 nan 0.000 0.475 540 S N 1.991 117.646 115.700 -0.076 0.000 2.618 540 S HA 0.180 4.650 4.470 0.001 0.000 0.254 540 S C 1.285 175.854 174.600 -0.053 0.000 1.284 540 S CA -0.519 57.636 58.200 -0.076 0.000 0.975 540 S CB 0.429 63.576 63.200 -0.089 0.000 1.022 540 S HN 0.465 nan 8.310 nan 0.000 0.571 541 L N 0.176 121.385 121.223 -0.023 0.000 2.084 541 L HA -0.023 4.318 4.340 0.001 0.000 0.202 541 L C 2.495 179.362 176.870 -0.004 0.000 1.074 541 L CA 0.794 55.647 54.840 0.022 0.000 0.757 541 L CB -0.420 41.696 42.059 0.096 0.000 0.918 541 L HN 0.522 nan 8.230 nan 0.000 0.444 542 M N 0.311 119.932 119.600 0.036 0.000 2.132 542 M HA -0.039 4.441 4.480 0.001 0.000 0.263 542 M C 1.496 177.867 176.300 0.118 0.000 1.065 542 M CA 0.692 56.094 55.300 0.170 0.000 1.122 542 M CB -1.256 31.487 32.600 0.239 0.000 1.365 542 M HN 0.311 nan 8.290 nan 0.000 0.411 543 S N 0.380 116.083 115.700 0.006 0.000 2.542 543 S HA 0.075 4.546 4.470 0.001 0.000 0.287 543 S C 0.186 174.658 174.600 -0.214 0.000 1.315 543 S CA -0.513 57.635 58.200 -0.087 0.000 1.037 543 S CB 0.140 63.307 63.200 -0.054 0.000 0.822 543 S HN 0.475 nan 8.310 nan 0.000 0.513 544 C N 1.505 120.516 119.300 -0.481 0.000 3.316 544 C HA 0.688 5.148 4.460 0.001 0.000 0.360 544 C C -0.505 174.006 174.990 -0.797 0.000 1.560 544 C CA -0.946 57.682 59.018 -0.650 0.000 1.229 544 C CB 0.885 28.116 27.740 -0.848 0.000 1.823 544 C HN 0.942 nan 8.230 nan 0.000 0.440 545 I N 1.558 121.794 120.570 -0.557 0.000 2.608 545 I HA 0.381 4.552 4.170 0.001 0.000 0.295 545 I C 0.198 176.361 176.117 0.077 0.000 1.049 545 I CA -0.000 61.154 61.300 -0.243 0.000 1.063 545 I CB 2.174 40.115 38.000 -0.098 0.000 1.248 545 I HN 0.809 nan 8.210 nan 0.000 0.424 546 S N 3.774 119.640 115.700 0.276 0.000 2.549 546 S HA 0.116 4.587 4.470 0.001 0.000 0.283 546 S C 0.441 175.137 174.600 0.160 0.000 1.320 546 S CA -0.541 57.853 58.200 0.323 0.000 1.058 546 S CB 1.738 65.062 63.200 0.207 0.000 0.882 546 S HN 0.536 nan 8.310 nan 0.000 0.498 547 V N 2.832 122.829 119.914 0.140 0.000 2.949 547 V HA 0.486 4.606 4.120 0.001 0.000 0.245 547 V C 1.006 177.133 176.094 0.055 0.000 1.086 547 V CA 1.272 63.621 62.300 0.082 0.000 1.097 547 V CB -0.390 31.469 31.823 0.061 0.000 0.762 547 V HN 1.651 nan 8.190 nan 0.000 0.470 548 G N 0.626 109.457 108.800 0.053 0.000 3.306 548 G HA2 -0.031 3.929 3.960 0.001 0.000 0.672 548 G HA3 -0.031 3.929 3.960 0.001 0.000 0.672 548 G C -0.386 174.528 174.900 0.024 0.000 1.212 548 G CA -0.194 44.933 45.100 0.044 0.000 1.150 548 G HN 0.434 nan 8.290 nan 0.000 0.509 549 T N 1.343 115.919 114.554 0.037 0.000 2.902 549 T HA 0.676 5.027 4.350 0.001 0.000 0.287 549 T C -0.061 174.668 174.700 0.049 0.000 1.048 549 T CA -0.467 61.651 62.100 0.030 0.000 0.941 549 T CB 1.414 70.295 68.868 0.023 0.000 1.432 549 T HN 0.566 nan 8.240 nan 0.000 0.586 550 D N 0.478 120.907 120.400 0.049 0.000 2.252 550 D HA 0.309 4.949 4.640 0.001 0.000 0.245 550 D C -1.499 174.829 176.300 0.046 0.000 1.009 550 D CA -2.264 51.770 54.000 0.056 0.000 0.870 550 D CB 2.224 43.061 40.800 0.062 0.000 1.251 550 D HN 0.103 nan 8.370 nan 0.000 0.460 551 P HA -0.039 nan 4.420 nan 0.000 0.214 551 P C 1.858 179.164 177.300 0.009 0.000 1.167 551 P CA 0.766 63.893 63.100 0.045 0.000 0.882 551 P CB 0.562 32.308 31.700 0.078 0.000 0.777 552 M N 0.482 120.088 119.600 0.010 0.000 2.103 552 M HA -0.126 4.354 4.480 0.001 0.000 0.255 552 M C -0.463 175.849 176.300 0.021 0.000 1.074 552 M CA 3.033 58.334 55.300 0.002 0.000 1.090 552 M CB -2.313 30.296 32.600 0.015 0.000 1.325 552 M HN 0.039 nan 8.290 nan 0.000 0.403 553 P HA -0.108 nan 4.420 nan 0.000 0.234 553 P C 0.892 178.221 177.300 0.049 0.000 1.162 553 P CA 1.428 64.557 63.100 0.049 0.000 0.759 553 P CB -0.234 31.487 31.700 0.035 0.000 0.813 554 I N -2.627 117.948 120.570 0.009 0.000 4.433 554 I HA 0.078 4.248 4.170 0.001 0.000 0.322 554 I C 2.346 178.467 176.117 0.006 0.000 1.284 554 I CA -0.087 61.188 61.300 -0.042 0.000 1.269 554 I CB 0.144 38.080 38.000 -0.106 0.000 1.219 554 I HN -0.205 nan 8.210 nan 0.000 0.436 555 I N 1.136 121.685 120.570 -0.035 0.000 2.141 555 I HA -0.229 3.941 4.170 0.001 0.000 0.236 555 I C 2.477 178.590 176.117 -0.007 0.000 1.071 555 I CA 1.655 62.883 61.300 -0.120 0.000 1.345 555 I CB -0.206 37.649 38.000 -0.241 0.000 1.066 555 I HN 0.143 nan 8.210 nan 0.000 0.406 556 T N 1.091 115.659 114.554 0.023 0.000 2.721 556 T HA -0.286 4.065 4.350 0.001 0.000 0.268 556 T C 1.619 176.389 174.700 0.118 0.000 1.038 556 T CA 1.894 64.027 62.100 0.055 0.000 1.145 556 T CB -0.526 68.374 68.868 0.054 0.000 0.858 556 T HN 0.338 nan 8.240 nan 0.000 0.459 557 F N 1.033 120.980 119.950 -0.006 0.000 2.113 557 F HA 0.008 4.535 4.527 0.000 0.000 0.297 557 F C 1.984 177.823 175.800 0.065 0.000 1.103 557 F CA 0.989 59.001 58.000 0.020 0.000 1.248 557 F CB -0.203 38.762 39.000 -0.058 0.000 0.999 557 F HN 0.034 nan 8.300 nan 0.000 0.475 558 L N 0.351 121.854 121.223 0.467 0.000 1.955 558 L HA -0.291 4.049 4.340 0.001 0.000 0.213 558 L C 2.852 179.835 176.870 0.189 0.000 1.072 558 L CA 1.816 56.849 54.840 0.322 0.000 0.755 558 L CB -1.260 40.882 42.059 0.138 0.000 0.888 558 L HN 0.340 nan 8.230 nan 0.000 0.432 559 S N -0.579 115.181 115.700 0.101 0.000 2.444 559 S HA -0.262 4.208 4.470 0.001 0.000 0.244 559 S C 1.287 175.917 174.600 0.049 0.000 1.025 559 S CA 1.604 59.838 58.200 0.058 0.000 0.995 559 S CB -0.565 62.650 63.200 0.024 0.000 0.781 559 S HN 0.536 nan 8.310 nan 0.000 0.496 560 E N -1.179 119.061 120.200 0.067 0.000 2.423 560 E HA 0.176 4.526 4.350 0.001 0.000 0.198 560 E C -0.646 175.931 176.600 -0.038 0.000 1.038 560 E CA -0.245 56.151 56.400 -0.006 0.000 1.011 560 E CB 0.152 29.829 29.700 -0.038 0.000 1.118 560 E HN 0.755 nan 8.360 nan 0.000 0.451 561 W N -0.688 120.551 121.300 -0.102 0.000 1.479 561 W HA 0.255 4.916 4.660 0.000 0.000 0.224 561 W C 1.036 177.538 176.519 -0.028 0.000 0.799 561 W CA 0.033 57.330 57.345 -0.079 0.000 1.149 561 W CB 1.424 30.848 29.460 -0.059 0.000 0.935 561 W HN 0.188 nan 8.180 nan 0.000 0.454 562 G N 0.189 109.077 108.800 0.146 0.000 2.738 562 G HA2 -0.189 3.771 3.960 0.001 0.000 0.195 562 G HA3 -0.189 3.771 3.960 0.001 0.000 0.195 562 G C 0.156 175.323 174.900 0.444 0.000 1.001 562 G CA -0.294 44.999 45.100 0.322 0.000 0.759 562 G HN 0.024 nan 8.290 nan 0.000 0.494 563 M N 2.698 122.404 119.600 0.177 0.000 2.292 563 M HA 0.436 4.916 4.480 0.001 0.000 0.342 563 M C -0.164 176.188 176.300 0.087 0.000 1.538 563 M CA 0.204 55.592 55.300 0.147 0.000 1.163 563 M CB 0.136 32.777 32.600 0.068 0.000 1.823 563 M HN 0.185 nan 8.290 nan 0.000 0.462 564 E N 8.154 128.397 120.200 0.071 0.000 1.996 564 E HA 0.241 4.591 4.350 0.001 0.000 0.280 564 E C -2.141 174.423 176.600 -0.061 0.000 1.092 564 E CA -1.885 54.518 56.400 0.006 0.000 0.862 564 E CB -0.023 29.682 29.700 0.009 0.000 1.066 564 E HN 0.510 nan 8.360 nan 0.000 0.396 565 P HA -0.193 nan 4.420 nan 0.000 0.268 565 P C 0.583 177.747 177.300 -0.226 0.000 1.171 565 P CA 0.089 63.123 63.100 -0.109 0.000 0.761 565 P CB 0.838 32.500 31.700 -0.064 0.000 0.786 566 L N 2.508 123.524 121.223 -0.344 0.000 2.201 566 L HA -0.160 4.180 4.340 0.001 0.000 0.212 566 L C 2.302 178.887 176.870 -0.474 0.000 1.105 566 L CA 1.764 56.227 54.840 -0.628 0.000 0.775 566 L CB -0.957 40.658 42.059 -0.740 0.000 0.913 566 L HN 0.269 nan 8.230 nan 0.000 0.440 567 E N 0.167 120.225 120.200 -0.237 0.000 2.065 567 E HA -0.209 4.141 4.350 0.001 0.000 0.201 567 E C 0.281 176.815 176.600 -0.110 0.000 1.016 567 E CA 1.516 57.834 56.400 -0.137 0.000 0.818 567 E CB -0.490 29.145 29.700 -0.110 0.000 0.749 567 E HN 0.600 nan 8.360 nan 0.000 0.453 568 D N -0.021 120.307 120.400 -0.121 0.000 2.540 568 D HA 0.123 4.763 4.640 0.001 0.000 0.251 568 D C -0.794 175.457 176.300 -0.082 0.000 1.159 568 D CA -0.161 53.791 54.000 -0.080 0.000 0.974 568 D CB -0.132 40.625 40.800 -0.071 0.000 0.996 568 D HN 0.040 nan 8.370 nan 0.000 0.512 569 Y N 1.171 121.307 120.300 -0.274 0.000 2.409 569 Y HA 0.376 4.926 4.550 0.001 0.000 0.343 569 Y C -0.659 175.171 175.900 -0.117 0.000 0.973 569 Y CA -1.166 56.744 58.100 -0.317 0.000 1.064 569 Y CB 1.616 39.641 38.460 -0.725 0.000 1.207 569 Y HN 0.034 nan 8.280 nan 0.000 0.452 570 V N 6.582 126.017 119.914 -0.798 0.000 2.340 570 V HA 0.408 4.529 4.120 0.001 0.000 0.277 570 V C -2.079 173.457 176.094 -0.929 0.000 1.017 570 V CA -1.824 60.080 62.300 -0.660 0.000 0.820 570 V CB 0.989 32.523 31.823 -0.482 0.000 1.028 570 V HN 0.716 nan 8.190 nan 0.000 0.436 571 P HA -0.301 nan 4.420 nan 0.000 0.219 571 P C 1.245 178.436 177.300 -0.182 0.000 1.159 571 P CA 2.703 65.593 63.100 -0.350 0.000 0.944 571 P CB -0.158 31.580 31.700 0.064 0.000 0.792 572 H N -1.019 117.976 119.070 -0.126 0.000 2.535 572 H HA 0.092 4.648 4.556 0.001 0.000 0.273 572 H C 2.008 177.284 175.328 -0.086 0.000 0.983 572 H CA 0.714 56.724 56.048 -0.062 0.000 1.238 572 H CB -0.838 28.908 29.762 -0.027 0.000 1.412 572 H HN 0.304 nan 8.280 nan 0.000 0.562 573 Q N 1.650 121.213 119.800 -0.395 0.000 2.311 573 Q HA 0.023 4.363 4.340 0.001 0.000 0.203 573 Q C -0.092 175.802 176.000 -0.177 0.000 0.954 573 Q CA 0.493 56.145 55.803 -0.252 0.000 0.885 573 Q CB 0.497 29.055 28.738 -0.301 0.000 0.963 573 Q HN 0.204 nan 8.270 nan 0.000 0.471 574 S N 1.965 117.533 115.700 -0.220 0.000 2.399 574 S HA 0.230 4.701 4.470 0.001 0.000 0.215 574 S C -2.163 172.425 174.600 -0.020 0.000 1.456 574 S CA -1.127 57.001 58.200 -0.121 0.000 1.199 574 S CB 1.686 64.791 63.200 -0.159 0.000 1.063 574 S HN 0.288 nan 8.310 nan 0.000 0.476 575 P HA -0.063 nan 4.420 nan 0.000 0.212 575 P C 0.163 177.549 177.300 0.143 0.000 1.180 575 P CA 1.200 64.361 63.100 0.102 0.000 0.902 575 P CB 0.091 31.841 31.700 0.083 0.000 0.778 576 D N 0.358 120.824 120.400 0.111 0.000 2.400 576 D HA 0.214 4.854 4.640 0.001 0.000 0.243 576 D C 0.458 176.838 176.300 0.132 0.000 1.184 576 D CA 0.044 54.115 54.000 0.119 0.000 0.853 576 D CB -0.412 40.437 40.800 0.082 0.000 0.944 576 D HN 0.148 nan 8.370 nan 0.000 0.501 577 A N 0.740 123.663 122.820 0.172 0.000 2.561 577 A HA 0.059 4.379 4.320 0.001 0.000 0.251 577 A C 0.805 178.502 177.584 0.188 0.000 1.062 577 A CA 0.385 52.540 52.037 0.198 0.000 0.761 577 A CB -0.038 19.173 19.000 0.351 0.000 0.986 577 A HN 0.026 nan 8.150 nan 0.000 0.510 578 T N 4.801 119.443 114.554 0.147 0.000 3.471 578 T HA 0.242 4.593 4.350 0.001 0.000 0.355 578 T C 0.563 175.346 174.700 0.137 0.000 1.775 578 T CA -0.434 61.753 62.100 0.145 0.000 1.305 578 T CB -0.582 68.367 68.868 0.134 0.000 1.171 578 T HN 0.793 nan 8.240 nan 0.000 0.776 579 R N 0.805 121.390 120.500 0.141 0.000 2.500 579 R HA 0.138 4.478 4.340 0.001 0.000 0.281 579 R C -0.684 175.587 176.300 -0.048 0.000 0.953 579 R CA -0.167 56.024 56.100 0.152 0.000 1.108 579 R CB -0.215 30.214 30.300 0.216 0.000 0.901 579 R HN 0.146 nan 8.270 nan 0.000 0.410 580 V N 4.323 124.223 119.914 -0.023 0.000 2.532 580 V HA 0.458 4.579 4.120 0.001 0.000 0.295 580 V C -0.281 175.671 176.094 -0.236 0.000 1.041 580 V CA -0.520 61.742 62.300 -0.063 0.000 0.926 580 V CB 1.010 32.861 31.823 0.047 0.000 0.992 580 V HN 0.593 nan 8.190 nan 0.000 0.457 581 F N 2.409 122.374 119.950 0.024 0.000 2.551 581 F HA 0.719 5.246 4.527 0.000 0.000 0.316 581 F C -0.190 175.592 175.800 -0.029 0.000 1.089 581 F CA -0.834 57.161 58.000 -0.008 0.000 0.915 581 F CB 2.251 41.184 39.000 -0.113 0.000 1.186 581 F HN 0.213 nan 8.300 nan 0.000 0.456 582 V N 3.646 123.728 119.914 0.279 0.000 2.569 582 V HA 0.320 4.440 4.120 0.001 0.000 0.301 582 V C -0.606 175.645 176.094 0.261 0.000 1.044 582 V CA -0.901 61.525 62.300 0.210 0.000 0.874 582 V CB 1.568 33.589 31.823 0.330 0.000 1.002 582 V HN 0.843 nan 8.190 nan 0.000 0.424 583 N N 4.396 123.267 118.700 0.286 0.000 2.696 583 N HA -0.205 4.535 4.740 0.001 0.000 0.249 583 N C 0.976 176.732 175.510 0.409 0.000 1.090 583 N CA 1.992 55.320 53.050 0.462 0.000 0.716 583 N CB -1.080 37.588 38.487 0.303 0.000 1.020 583 N HN 1.664 nan 8.380 nan 0.000 0.548 584 G N -3.097 105.958 108.800 0.424 0.000 2.137 584 G HA2 -0.244 3.716 3.960 0.001 0.000 0.237 584 G HA3 -0.244 3.716 3.960 0.001 0.000 0.237 584 G C -0.138 175.008 174.900 0.410 0.000 1.002 584 G CA 0.254 45.555 45.100 0.335 0.000 0.702 584 G HN 0.529 nan 8.290 nan 0.000 0.515 585 V N -0.299 119.840 119.914 0.376 0.000 2.628 585 V HA 0.674 4.794 4.120 0.001 0.000 0.306 585 V C -0.096 176.108 176.094 0.182 0.000 1.045 585 V CA -1.114 61.288 62.300 0.169 0.000 0.905 585 V CB 1.910 33.609 31.823 -0.207 0.000 0.997 585 V HN 0.300 nan 8.190 nan 0.000 0.436 586 W N 4.627 125.882 121.300 -0.074 0.000 2.318 586 W HA 0.398 5.058 4.660 0.000 0.000 0.362 586 W C 0.754 177.068 176.519 -0.341 0.000 0.978 586 W CA -0.812 56.334 57.345 -0.331 0.000 1.509 586 W CB -0.222 29.162 29.460 -0.127 0.000 1.437 586 W HN 0.653 nan 8.180 nan 0.000 0.361 587 H N 3.811 122.929 119.070 0.080 0.000 2.645 587 H HA 0.289 4.845 4.556 0.001 0.000 0.300 587 H C 1.340 176.566 175.328 -0.169 0.000 1.065 587 H CA 0.991 57.019 56.048 -0.034 0.000 1.173 587 H CB -0.281 29.491 29.762 0.016 0.000 1.383 587 H HN 0.573 nan 8.280 nan 0.000 0.566 588 G N -0.304 108.278 108.800 -0.363 0.000 2.500 588 G HA2 -0.165 3.795 3.960 0.001 0.000 0.209 588 G HA3 -0.165 3.795 3.960 0.001 0.000 0.209 588 G C -0.677 174.010 174.900 -0.354 0.000 1.283 588 G CA -0.294 44.480 45.100 -0.542 0.000 0.960 588 G HN 0.208 nan 8.290 nan 0.000 0.528 589 V N -0.903 118.869 119.914 -0.236 0.000 3.344 589 V HA 0.977 5.097 4.120 0.001 0.000 0.301 589 V C -0.080 176.088 176.094 0.123 0.000 1.286 589 V CA 0.213 62.494 62.300 -0.032 0.000 1.028 589 V CB 1.885 33.674 31.823 -0.058 0.000 1.223 589 V HN 1.746 nan 8.190 nan 0.000 0.478 590 H N -0.462 118.631 119.070 0.038 0.000 3.153 590 H HA 0.450 5.006 4.556 0.001 0.000 0.323 590 H C -0.114 175.255 175.328 0.069 0.000 1.096 590 H CA -0.622 55.459 56.048 0.054 0.000 1.385 590 H CB 1.145 30.947 29.762 0.067 0.000 2.027 590 H HN 0.537 nan 8.280 nan 0.000 0.499 591 R N 1.726 121.913 120.500 -0.522 0.000 1.451 591 R HA 0.052 4.392 4.340 0.001 0.000 0.066 591 R C 0.265 176.304 176.300 -0.435 0.000 0.461 591 R CA -0.490 55.397 56.100 -0.356 0.000 2.066 591 R CB -0.405 29.741 30.300 -0.256 0.000 0.491 591 R HN 0.644 nan 8.270 nan 0.000 0.765 592 N N 3.156 121.706 118.700 -0.251 0.000 2.276 592 N HA -0.080 4.661 4.740 0.001 0.000 0.279 592 N C -1.709 173.813 175.510 0.020 0.000 1.379 592 N CA -0.201 52.800 53.050 -0.083 0.000 0.886 592 N CB 0.608 39.083 38.487 -0.020 0.000 1.199 592 N HN 0.296 nan 8.380 nan 0.000 0.493 593 P HA 0.086 nan 4.420 nan 0.000 0.260 593 P C 0.982 178.406 177.300 0.208 0.000 1.222 593 P CA 0.153 63.469 63.100 0.359 0.000 0.843 593 P CB 0.205 32.106 31.700 0.335 0.000 1.159 594 A N 1.981 124.886 122.820 0.142 0.000 1.944 594 A HA -0.284 4.036 4.320 0.001 0.000 0.222 594 A C 2.399 180.048 177.584 0.108 0.000 1.237 594 A CA 2.211 54.310 52.037 0.104 0.000 0.668 594 A CB -1.355 17.694 19.000 0.082 0.000 0.830 594 A HN 0.159 nan 8.150 nan 0.000 0.471 595 R N -1.542 119.042 120.500 0.140 0.000 2.057 595 R HA -0.010 4.331 4.340 0.001 0.000 0.229 595 R C 2.190 178.578 176.300 0.146 0.000 1.136 595 R CA 1.147 57.334 56.100 0.146 0.000 0.952 595 R CB -0.681 29.727 30.300 0.181 0.000 0.848 595 R HN 0.500 nan 8.270 nan 0.000 0.430 596 L N 1.162 122.495 121.223 0.184 0.000 2.103 596 L HA -0.263 4.077 4.340 0.001 0.000 0.215 596 L C 2.195 179.080 176.870 0.025 0.000 1.080 596 L CA 1.846 56.741 54.840 0.092 0.000 0.764 596 L CB -0.433 41.602 42.059 -0.041 0.000 0.890 596 L HN 0.164 nan 8.230 nan 0.000 0.435 597 M N 0.153 119.781 119.600 0.047 0.000 2.139 597 M HA -0.204 4.276 4.480 0.001 0.000 0.260 597 M C 2.306 178.602 176.300 -0.007 0.000 1.078 597 M CA 2.297 57.606 55.300 0.016 0.000 1.106 597 M CB -0.883 31.741 32.600 0.040 0.000 1.275 597 M HN 0.393 nan 8.290 nan 0.000 0.425 598 E N -1.475 118.735 120.200 0.016 0.000 2.339 598 E HA -0.199 4.151 4.350 0.001 0.000 0.201 598 E C 1.344 177.930 176.600 -0.024 0.000 1.015 598 E CA 1.728 58.130 56.400 0.003 0.000 0.841 598 E CB -0.060 29.655 29.700 0.024 0.000 0.754 598 E HN 0.635 nan 8.360 nan 0.000 0.508 599 T N 0.012 114.547 114.554 -0.032 0.000 2.937 599 T HA 0.019 4.369 4.350 0.001 0.000 0.260 599 T C 1.629 176.206 174.700 -0.206 0.000 1.051 599 T CA 0.578 62.615 62.100 -0.106 0.000 1.141 599 T CB 0.059 68.862 68.868 -0.109 0.000 0.879 599 T HN 0.163 nan 8.240 nan 0.000 0.459 600 L N 0.251 121.355 121.223 -0.199 0.000 2.179 600 L HA 0.108 4.448 4.340 0.001 0.000 0.208 600 L C 2.807 179.555 176.870 -0.203 0.000 1.096 600 L CA 0.888 55.559 54.840 -0.281 0.000 0.779 600 L CB -0.400 41.505 42.059 -0.255 0.000 0.922 600 L HN 0.113 nan 8.230 nan 0.000 0.443 601 R N -0.270 120.155 120.500 -0.124 0.000 2.096 601 R HA -0.097 4.243 4.340 0.001 0.000 0.235 601 R C 2.045 178.288 176.300 -0.094 0.000 1.127 601 R CA 1.805 57.853 56.100 -0.086 0.000 0.968 601 R CB -0.399 29.877 30.300 -0.040 0.000 0.861 601 R HN 0.305 nan 8.270 nan 0.000 0.440 602 T N 1.213 115.709 114.554 -0.096 0.000 3.088 602 T HA 0.055 4.405 4.350 0.001 0.000 0.259 602 T C 1.560 176.194 174.700 -0.111 0.000 1.122 602 T CA 0.247 62.295 62.100 -0.086 0.000 1.095 602 T CB 0.166 68.998 68.868 -0.060 0.000 0.930 602 T HN 0.058 nan 8.240 nan 0.000 0.508 603 L N 1.247 122.373 121.223 -0.162 0.000 2.179 603 L HA 0.141 4.481 4.340 0.001 0.000 0.208 603 L C 2.542 179.307 176.870 -0.176 0.000 1.096 603 L CA 1.319 56.043 54.840 -0.193 0.000 0.779 603 L CB -0.546 41.307 42.059 -0.344 0.000 0.922 603 L HN 0.232 nan 8.230 nan 0.000 0.443 604 R N 0.479 120.876 120.500 -0.172 0.000 2.052 604 R HA -0.110 4.230 4.340 0.001 0.000 0.226 604 R C 1.971 178.188 176.300 -0.138 0.000 1.145 604 R CA 0.730 56.738 56.100 -0.154 0.000 0.952 604 R CB -0.224 29.990 30.300 -0.144 0.000 0.847 604 R HN 0.211 nan 8.270 nan 0.000 0.431 605 R N 0.601 121.024 120.500 -0.128 0.000 2.417 605 R HA -0.147 4.194 4.340 0.001 0.000 0.220 605 R C 1.928 178.157 176.300 -0.118 0.000 1.128 605 R CA 1.118 57.140 56.100 -0.130 0.000 1.048 605 R CB -0.104 30.131 30.300 -0.108 0.000 0.835 605 R HN 0.325 nan 8.270 nan 0.000 0.483 606 K N -0.798 119.541 120.400 -0.103 0.000 2.329 606 K HA 0.019 4.339 4.320 0.001 0.000 0.198 606 K C 0.974 177.527 176.600 -0.078 0.000 1.085 606 K CA 1.050 57.291 56.287 -0.078 0.000 0.961 606 K CB 0.848 33.314 32.500 -0.057 0.000 0.971 606 K HN 0.213 nan 8.250 nan 0.000 0.502 607 G N 0.984 109.731 108.800 -0.089 0.000 2.273 607 G HA2 -0.142 3.818 3.960 0.001 0.000 0.162 607 G HA3 -0.142 3.818 3.960 0.001 0.000 0.162 607 G C 0.287 175.148 174.900 -0.065 0.000 1.006 607 G CA 0.228 45.280 45.100 -0.079 0.000 0.704 607 G HN 0.282 nan 8.290 nan 0.000 0.487 608 D N 0.447 120.804 120.400 -0.071 0.000 2.123 608 D HA 0.059 4.699 4.640 0.001 0.000 0.200 608 D C 1.343 177.585 176.300 -0.097 0.000 0.976 608 D CA 0.821 54.785 54.000 -0.061 0.000 0.831 608 D CB 0.376 41.147 40.800 -0.048 0.000 0.974 608 D HN 0.501 nan 8.370 nan 0.000 0.469 609 I N 1.842 122.324 120.570 -0.146 0.000 2.321 609 I HA 0.079 4.250 4.170 0.001 0.000 0.291 609 I C 0.509 176.554 176.117 -0.120 0.000 0.998 609 I CA -0.744 60.458 61.300 -0.163 0.000 1.227 609 I CB 0.967 38.828 38.000 -0.230 0.000 1.368 609 I HN -0.204 nan 8.210 nan 0.000 0.466 610 N N 8.398 127.047 118.700 -0.085 0.000 2.236 610 N HA -0.055 4.685 4.740 0.001 0.000 0.274 610 N C -1.613 173.842 175.510 -0.091 0.000 1.339 610 N CA -0.638 52.372 53.050 -0.067 0.000 0.845 610 N CB 1.014 39.480 38.487 -0.034 0.000 1.091 610 N HN 0.353 nan 8.380 nan 0.000 0.489 611 P HA -0.182 nan 4.420 nan 0.000 0.222 611 P C 0.857 178.069 177.300 -0.147 0.000 1.139 611 P CA 1.112 64.093 63.100 -0.199 0.000 0.790 611 P CB 0.342 31.846 31.700 -0.327 0.000 0.757 612 E N -0.480 119.673 120.200 -0.079 0.000 2.011 612 E HA -0.055 4.296 4.350 0.001 0.000 0.191 612 E C 0.157 176.678 176.600 -0.131 0.000 0.979 612 E CA 0.234 56.551 56.400 -0.138 0.000 0.822 612 E CB -0.264 29.406 29.700 -0.050 0.000 0.782 612 E HN -0.243 nan 8.360 nan 0.000 0.459 613 V N 2.193 122.075 119.914 -0.054 0.000 2.923 613 V HA -0.177 3.943 4.120 0.001 0.000 0.286 613 V C 0.293 176.381 176.094 -0.010 0.000 1.376 613 V CA 1.083 63.377 62.300 -0.008 0.000 1.423 613 V CB 0.321 32.135 31.823 -0.016 0.000 0.865 613 V HN 0.452 nan 8.190 nan 0.000 0.514 614 S N 5.925 121.657 115.700 0.053 0.000 2.537 614 S HA 0.922 5.393 4.470 0.001 0.000 0.301 614 S C -0.886 173.727 174.600 0.023 0.000 1.092 614 S CA -1.046 57.187 58.200 0.055 0.000 1.048 614 S CB 1.945 65.220 63.200 0.125 0.000 1.053 614 S HN 0.600 nan 8.310 nan 0.000 0.501 615 M N 2.074 121.670 119.600 -0.008 0.000 2.378 615 M HA 0.603 5.084 4.480 0.001 0.000 0.289 615 M C -1.832 174.456 176.300 -0.020 0.000 1.136 615 M CA -0.564 54.706 55.300 -0.050 0.000 0.917 615 M CB 1.774 34.334 32.600 -0.066 0.000 1.669 615 M HN 0.500 nan 8.290 nan 0.000 0.461 616 I N 1.566 122.116 120.570 -0.033 0.000 2.533 616 I HA 0.541 4.711 4.170 0.001 0.000 0.290 616 I C -0.552 175.573 176.117 0.013 0.000 1.056 616 I CA -0.557 60.746 61.300 0.006 0.000 1.057 616 I CB 2.167 40.181 38.000 0.022 0.000 1.240 616 I HN 0.713 nan 8.210 nan 0.000 0.423 617 R N 4.055 124.575 120.500 0.034 0.000 2.246 617 R HA 0.271 4.611 4.340 0.001 0.000 0.332 617 R C -0.751 175.581 176.300 0.053 0.000 0.974 617 R CA -0.351 55.777 56.100 0.047 0.000 0.837 617 R CB 0.652 30.984 30.300 0.052 0.000 1.145 617 R HN 0.659 nan 8.270 nan 0.000 0.467 618 D N 6.844 127.279 120.400 0.058 0.000 2.631 618 D HA 0.062 4.702 4.640 0.001 0.000 0.227 618 D C 1.458 177.798 176.300 0.066 0.000 1.146 618 D CA -0.138 53.896 54.000 0.058 0.000 1.009 618 D CB 0.299 41.133 40.800 0.056 0.000 1.057 618 D HN 0.658 nan 8.370 nan 0.000 0.509 619 I N 1.270 121.878 120.570 0.063 0.000 2.091 619 I HA -0.363 3.807 4.170 0.001 0.000 0.240 619 I C 2.193 178.349 176.117 0.065 0.000 1.046 619 I CA 1.211 62.550 61.300 0.065 0.000 1.306 619 I CB -0.201 37.833 38.000 0.056 0.000 1.018 619 I HN 0.206 nan 8.210 nan 0.000 0.404 620 R N 0.359 120.893 120.500 0.056 0.000 2.397 620 R HA -0.188 4.152 4.340 0.001 0.000 0.213 620 R C 1.429 177.764 176.300 0.059 0.000 1.102 620 R CA 0.998 57.129 56.100 0.052 0.000 1.040 620 R CB -0.256 30.069 30.300 0.042 0.000 0.844 620 R HN 0.432 nan 8.270 nan 0.000 0.478 621 E N 0.226 120.469 120.200 0.071 0.000 2.676 621 E HA 0.077 4.428 4.350 0.001 0.000 0.225 621 E C -0.804 175.864 176.600 0.113 0.000 0.944 621 E CA -0.168 56.282 56.400 0.083 0.000 1.156 621 E CB 0.518 30.262 29.700 0.073 0.000 1.117 621 E HN -0.009 nan 8.360 nan 0.000 0.523 622 K N 1.405 121.870 120.400 0.109 0.000 3.898 622 K HA -0.181 4.139 4.320 0.001 0.000 0.282 622 K C -1.150 175.530 176.600 0.133 0.000 1.014 622 K CA 1.058 57.421 56.287 0.126 0.000 0.848 622 K CB -1.274 31.317 32.500 0.152 0.000 1.469 622 K HN 0.309 nan 8.250 nan 0.000 0.446 623 E N 0.335 120.606 120.200 0.118 0.000 2.372 623 E HA 0.444 4.794 4.350 0.001 0.000 0.279 623 E C -1.424 175.242 176.600 0.111 0.000 0.946 623 E CA -1.136 55.341 56.400 0.130 0.000 0.769 623 E CB 1.948 31.748 29.700 0.167 0.000 1.230 623 E HN 0.069 nan 8.360 nan 0.000 0.442 624 L N 2.344 123.637 121.223 0.116 0.000 2.377 624 L HA 0.346 4.687 4.340 0.001 0.000 0.270 624 L C -1.277 175.636 176.870 0.072 0.000 0.991 624 L CA -0.372 54.512 54.840 0.074 0.000 0.851 624 L CB 0.866 42.960 42.059 0.058 0.000 1.218 624 L HN 0.306 nan 8.230 nan 0.000 0.420 625 K N 6.855 127.243 120.400 -0.020 0.000 2.240 625 K HA 0.570 4.891 4.320 0.001 0.000 0.271 625 K C -1.064 175.330 176.600 -0.342 0.000 1.018 625 K CA -0.412 55.750 56.287 -0.207 0.000 0.874 625 K CB 1.928 34.248 32.500 -0.300 0.000 1.098 625 K HN 0.538 nan 8.250 nan 0.000 0.458 626 I N 4.131 124.455 120.570 -0.411 0.000 2.439 626 I HA 0.357 4.527 4.170 0.001 0.000 0.285 626 I C -0.740 175.181 176.117 -0.326 0.000 1.021 626 I CA -0.710 60.414 61.300 -0.294 0.000 1.091 626 I CB 0.991 38.925 38.000 -0.110 0.000 1.242 626 I HN 0.397 nan 8.210 nan 0.000 0.439 627 F N 3.496 123.472 119.950 0.043 0.000 2.480 627 F HA 0.374 4.902 4.527 0.000 0.000 0.329 627 F C 1.174 176.988 175.800 0.024 0.000 1.091 627 F CA -0.486 57.537 58.000 0.039 0.000 0.972 627 F CB 2.287 41.304 39.000 0.029 0.000 1.150 627 F HN 0.313 nan 8.300 nan 0.000 0.467 628 T N -0.453 114.255 114.554 0.257 0.000 3.003 628 T HA -0.003 4.347 4.350 0.001 0.000 0.261 628 T C 0.008 174.779 174.700 0.119 0.000 1.003 628 T CA -0.120 62.063 62.100 0.138 0.000 0.917 628 T CB -0.254 68.677 68.868 0.105 0.000 1.084 628 T HN 0.485 nan 8.240 nan 0.000 0.522 629 D N 2.560 123.038 120.400 0.131 0.000 2.730 629 D HA 0.021 4.662 4.640 0.001 0.000 0.225 629 D C 0.035 176.353 176.300 0.030 0.000 1.107 629 D CA 0.341 54.365 54.000 0.041 0.000 0.837 629 D CB 0.599 41.348 40.800 -0.085 0.000 1.171 629 D HN 0.344 nan 8.370 nan 0.000 0.498 630 A N 2.562 125.399 122.820 0.028 0.000 2.310 630 A HA 0.554 4.874 4.320 0.001 0.000 0.300 630 A C 1.117 178.707 177.584 0.010 0.000 1.269 630 A CA 0.419 52.479 52.037 0.038 0.000 0.909 630 A CB 0.503 19.533 19.000 0.050 0.000 1.144 630 A HN 0.704 nan 8.150 nan 0.000 0.540 631 G N 2.399 111.205 108.800 0.009 0.000 2.559 631 G HA2 -0.109 3.851 3.960 0.001 0.000 0.202 631 G HA3 -0.109 3.851 3.960 0.001 0.000 0.202 631 G C 0.214 175.073 174.900 -0.069 0.000 0.992 631 G CA -0.664 44.416 45.100 -0.033 0.000 0.764 631 G HN 0.730 nan 8.290 nan 0.000 0.525 632 R N 0.852 121.336 120.500 -0.026 0.000 2.347 632 R HA 0.480 4.820 4.340 0.001 0.000 0.304 632 R C 0.101 176.425 176.300 0.039 0.000 1.072 632 R CA -0.272 55.811 56.100 -0.028 0.000 0.980 632 R CB 1.743 32.065 30.300 0.037 0.000 0.986 632 R HN 0.043 nan 8.270 nan 0.000 0.448 633 V N 5.329 125.206 119.914 -0.061 0.000 2.530 633 V HA 0.176 4.297 4.120 0.001 0.000 0.282 633 V C -0.429 175.735 176.094 0.117 0.000 1.048 633 V CA -0.076 62.209 62.300 -0.026 0.000 0.997 633 V CB 0.150 32.004 31.823 0.051 0.000 0.987 633 V HN 0.662 nan 8.190 nan 0.000 0.477 634 Y N 3.952 124.267 120.300 0.024 0.000 2.581 634 Y HA 0.889 5.439 4.550 0.000 0.000 0.345 634 Y C -0.440 175.457 175.900 -0.005 0.000 1.036 634 Y CA -1.756 56.360 58.100 0.026 0.000 1.042 634 Y CB 1.485 39.951 38.460 0.009 0.000 1.289 634 Y HN 0.655 nan 8.280 nan 0.000 0.471 635 R N 1.289 121.943 120.500 0.258 0.000 2.837 635 R HA 0.703 5.044 4.340 0.001 0.000 0.271 635 R C -3.362 173.081 176.300 0.238 0.000 0.993 635 R CA -2.066 54.137 56.100 0.173 0.000 0.931 635 R CB 2.629 33.011 30.300 0.137 0.000 1.206 635 R HN 0.504 nan 8.270 nan 0.000 0.474 636 P HA 0.360 nan 4.420 nan 0.000 0.290 636 P C -0.925 176.478 177.300 0.172 0.000 1.276 636 P CA -0.463 62.816 63.100 0.299 0.000 0.808 636 P CB 1.466 33.345 31.700 0.299 0.000 0.966 637 L N 2.805 124.134 121.223 0.177 0.000 2.376 637 L HA 0.506 4.847 4.340 0.001 0.000 0.258 637 L C 0.144 177.172 176.870 0.264 0.000 1.013 637 L CA -1.119 53.791 54.840 0.116 0.000 0.822 637 L CB 2.169 44.305 42.059 0.128 0.000 1.388 637 L HN 0.292 nan 8.230 nan 0.000 0.413 638 F N 1.981 121.998 119.950 0.111 0.000 2.412 638 F HA 0.392 4.919 4.527 0.000 0.000 0.348 638 F C 0.561 176.402 175.800 0.068 0.000 1.102 638 F CA -0.748 57.281 58.000 0.047 0.000 1.196 638 F CB 1.189 40.201 39.000 0.019 0.000 1.144 638 F HN 0.159 nan 8.300 nan 0.000 0.541 639 I N 3.141 123.815 120.570 0.175 0.000 2.713 639 I HA 0.111 4.281 4.170 0.001 0.000 0.300 639 I C 0.469 176.560 176.117 -0.045 0.000 1.009 639 I CA -0.309 60.983 61.300 -0.013 0.000 1.305 639 I CB 1.567 39.521 38.000 -0.078 0.000 1.430 639 I HN 0.417 nan 8.210 nan 0.000 0.546 640 V N 1.289 121.140 119.914 -0.104 0.000 3.432 640 V HA 0.074 4.194 4.120 0.001 0.000 0.298 640 V C 0.246 176.299 176.094 -0.068 0.000 1.464 640 V CA -0.178 62.089 62.300 -0.055 0.000 1.046 640 V CB -0.462 31.369 31.823 0.014 0.000 0.887 640 V HN 0.664 nan 8.190 nan 0.000 0.441 641 E N 3.134 123.279 120.200 -0.091 0.000 3.377 641 E HA -0.214 4.136 4.350 0.001 0.000 0.294 641 E C 1.183 177.751 176.600 -0.055 0.000 0.760 641 E CA 0.889 57.248 56.400 -0.068 0.000 1.073 641 E CB 0.110 29.769 29.700 -0.068 0.000 0.770 641 E HN 0.730 nan 8.360 nan 0.000 0.523 642 D N 2.446 122.825 120.400 -0.036 0.000 2.393 642 D HA -0.232 4.409 4.640 0.001 0.000 0.220 642 D C -0.182 176.094 176.300 -0.040 0.000 0.974 642 D CA 0.379 54.356 54.000 -0.038 0.000 0.931 642 D CB -0.064 40.735 40.800 -0.000 0.000 0.889 642 D HN 0.249 nan 8.370 nan 0.000 0.512 643 D N 1.648 122.028 120.400 -0.033 0.000 2.864 643 D HA -0.061 4.579 4.640 0.001 0.000 0.220 643 D C -0.059 176.224 176.300 -0.029 0.000 1.053 643 D CA 0.718 54.703 54.000 -0.025 0.000 1.360 643 D CB -0.322 40.464 40.800 -0.023 0.000 1.162 643 D HN 0.292 nan 8.370 nan 0.000 0.454 644 E N 0.096 120.276 120.200 -0.032 0.000 2.593 644 E HA 0.050 4.400 4.350 0.001 0.000 0.232 644 E C 0.789 177.384 176.600 -0.008 0.000 1.026 644 E CA -0.234 56.147 56.400 -0.031 0.000 0.772 644 E CB 0.844 30.503 29.700 -0.067 0.000 1.310 644 E HN 0.086 nan 8.360 nan 0.000 0.413 645 S N 2.358 118.058 115.700 -0.000 0.000 2.488 645 S HA -0.112 4.359 4.470 0.001 0.000 0.246 645 S C 1.197 175.807 174.600 0.017 0.000 0.992 645 S CA 0.594 58.800 58.200 0.010 0.000 0.963 645 S CB -0.126 63.079 63.200 0.008 0.000 0.754 645 S HN 0.472 nan 8.310 nan 0.000 0.519 646 L N 1.898 123.130 121.223 0.016 0.000 2.956 646 L HA 0.585 4.925 4.340 0.001 0.000 0.232 646 L C 1.009 177.908 176.870 0.049 0.000 1.291 646 L CA -0.088 54.768 54.840 0.027 0.000 1.122 646 L CB -0.122 41.948 42.059 0.018 0.000 1.461 646 L HN 0.570 nan 8.230 nan 0.000 0.470 647 G N -0.932 107.909 108.800 0.068 0.000 2.247 647 G HA2 -0.093 3.868 3.960 0.001 0.000 0.229 647 G HA3 -0.093 3.868 3.960 0.001 0.000 0.229 647 G C -0.436 174.562 174.900 0.164 0.000 1.345 647 G CA -0.171 45.014 45.100 0.142 0.000 1.100 647 G HN 0.260 nan 8.290 nan 0.000 0.473 648 H N 0.798 119.887 119.070 0.031 0.000 3.505 648 H HA 0.703 5.259 4.556 0.001 0.000 0.129 648 H C 0.329 175.681 175.328 0.041 0.000 1.572 648 H CA 0.407 56.480 56.048 0.041 0.000 1.611 648 H CB -0.416 29.380 29.762 0.056 0.000 0.783 648 H HN 0.528 nan 8.280 nan 0.000 0.769 649 K N 0.024 120.289 120.400 -0.225 0.000 2.144 649 K HA 0.309 4.629 4.320 0.001 0.000 0.270 649 K C -0.786 175.543 176.600 -0.452 0.000 1.005 649 K CA -0.169 56.002 56.287 -0.192 0.000 0.932 649 K CB 0.873 33.407 32.500 0.056 0.000 1.021 649 K HN 0.638 nan 8.250 nan 0.000 0.462 650 E N 2.379 122.432 120.200 -0.244 0.000 2.388 650 E HA 0.221 4.571 4.350 0.001 0.000 0.280 650 E C -1.624 174.908 176.600 -0.113 0.000 1.019 650 E CA -0.564 55.709 56.400 -0.211 0.000 0.806 650 E CB 0.700 30.250 29.700 -0.249 0.000 1.246 650 E HN 0.442 nan 8.360 nan 0.000 0.443 651 L N 4.571 125.741 121.223 -0.089 0.000 2.559 651 L HA 0.078 4.418 4.340 0.001 0.000 0.274 651 L C 1.601 178.404 176.870 -0.111 0.000 1.205 651 L CA 0.160 54.947 54.840 -0.087 0.000 0.907 651 L CB 0.345 42.346 42.059 -0.096 0.000 1.153 651 L HN 0.633 nan 8.230 nan 0.000 0.490 652 K N 2.216 122.542 120.400 -0.123 0.000 2.103 652 K HA -0.084 4.236 4.320 0.001 0.000 0.207 652 K C 0.426 176.946 176.600 -0.132 0.000 1.048 652 K CA 0.920 57.137 56.287 -0.117 0.000 0.930 652 K CB 0.000 32.421 32.500 -0.132 0.000 0.716 652 K HN 0.395 nan 8.250 nan 0.000 0.444 653 V N 2.461 122.222 119.914 -0.255 0.000 2.732 653 V HA 0.105 4.225 4.120 0.001 0.000 0.297 653 V C 0.523 176.583 176.094 -0.056 0.000 1.060 653 V CA -0.238 61.906 62.300 -0.259 0.000 1.038 653 V CB 1.244 32.742 31.823 -0.542 0.000 1.003 653 V HN 0.210 nan 8.190 nan 0.000 0.481 654 R N 1.959 122.566 120.500 0.178 0.000 2.888 654 R HA 0.385 4.725 4.340 0.001 0.000 0.264 654 R C 0.654 176.993 176.300 0.065 0.000 1.045 654 R CA -1.099 55.044 56.100 0.071 0.000 0.962 654 R CB 0.910 31.238 30.300 0.046 0.000 1.210 654 R HN 0.591 nan 8.270 nan 0.000 0.479 655 K N 0.507 120.924 120.400 0.029 0.000 2.520 655 K HA -0.112 4.208 4.320 0.001 0.000 0.197 655 K C 1.427 178.045 176.600 0.031 0.000 1.044 655 K CA 1.745 58.054 56.287 0.036 0.000 0.938 655 K CB -0.289 32.227 32.500 0.027 0.000 0.767 655 K HN 0.718 nan 8.250 nan 0.000 0.481 656 G N -0.634 108.163 108.800 -0.006 0.000 2.417 656 G HA2 -0.168 3.792 3.960 0.001 0.000 0.212 656 G HA3 -0.168 3.792 3.960 0.001 0.000 0.212 656 G C 1.026 175.913 174.900 -0.021 0.000 1.187 656 G CA 0.184 45.246 45.100 -0.062 0.000 0.804 656 G HN 0.314 nan 8.290 nan 0.000 0.534 657 H N 0.745 119.852 119.070 0.061 0.000 2.321 657 H HA -0.099 4.457 4.556 0.000 0.000 0.295 657 H C 2.635 178.097 175.328 0.224 0.000 1.102 657 H CA 1.468 57.630 56.048 0.189 0.000 1.266 657 H CB -0.227 29.605 29.762 0.117 0.000 1.363 657 H HN 0.282 nan 8.280 nan 0.000 0.492 658 I N 0.650 121.365 120.570 0.242 0.000 2.039 658 I HA -0.317 3.853 4.170 0.001 0.000 0.233 658 I C 2.752 178.977 176.117 0.180 0.000 1.040 658 I CA 1.424 62.835 61.300 0.186 0.000 1.308 658 I CB -0.439 37.640 38.000 0.132 0.000 1.035 658 I HN 0.187 nan 8.210 nan 0.000 0.392 659 A N -0.188 122.708 122.820 0.127 0.000 2.186 659 A HA -0.242 4.078 4.320 0.001 0.000 0.219 659 A C 2.228 179.880 177.584 0.115 0.000 1.159 659 A CA 1.526 53.624 52.037 0.103 0.000 0.680 659 A CB -0.591 18.443 19.000 0.056 0.000 0.787 659 A HN 0.435 nan 8.150 nan 0.000 0.467 660 K N -0.810 119.680 120.400 0.150 0.000 2.426 660 K HA 0.234 4.554 4.320 0.001 0.000 0.193 660 K C 1.297 178.104 176.600 0.344 0.000 1.028 660 K CA 0.240 56.611 56.287 0.141 0.000 1.047 660 K CB -0.075 32.414 32.500 -0.018 0.000 0.821 660 K HN 0.517 nan 8.250 nan 0.000 0.513 661 L N -0.254 121.176 121.223 0.346 0.000 2.347 661 L HA 0.117 4.457 4.340 0.001 0.000 0.196 661 L C 2.013 179.023 176.870 0.233 0.000 1.072 661 L CA 0.245 55.273 54.840 0.313 0.000 0.817 661 L CB -0.045 42.159 42.059 0.243 0.000 1.029 661 L HN 0.126 nan 8.230 nan 0.000 0.478 662 M N -0.224 119.497 119.600 0.201 0.000 2.629 662 M HA -0.120 4.360 4.480 0.001 0.000 0.257 662 M C 2.045 178.448 176.300 0.171 0.000 1.071 662 M CA 1.072 56.479 55.300 0.177 0.000 1.077 662 M CB -0.364 32.324 32.600 0.148 0.000 1.423 662 M HN 0.308 nan 8.290 nan 0.000 0.508 663 A N 0.024 122.946 122.820 0.170 0.000 1.903 663 A HA -0.048 4.272 4.320 0.001 0.000 0.213 663 A C 2.143 179.842 177.584 0.191 0.000 1.185 663 A CA 1.446 53.580 52.037 0.161 0.000 0.628 663 A CB -0.731 18.342 19.000 0.122 0.000 0.830 663 A HN 0.381 nan 8.150 nan 0.000 0.446 664 T N 0.094 114.763 114.554 0.192 0.000 3.007 664 T HA -0.061 4.290 4.350 0.001 0.000 0.270 664 T C 1.580 176.378 174.700 0.164 0.000 1.107 664 T CA 1.254 63.459 62.100 0.175 0.000 1.118 664 T CB -0.114 68.871 68.868 0.194 0.000 0.889 664 T HN 0.559 nan 8.240 nan 0.000 0.506 665 E N 0.093 120.404 120.200 0.185 0.000 2.107 665 E HA -0.097 4.253 4.350 0.001 0.000 0.191 665 E C 1.781 178.490 176.600 0.181 0.000 0.982 665 E CA 0.734 57.238 56.400 0.173 0.000 0.809 665 E CB -0.152 29.658 29.700 0.183 0.000 0.756 665 E HN 0.506 nan 8.360 nan 0.000 0.459 666 Y N 1.832 122.173 120.300 0.069 0.000 2.293 666 Y HA -0.111 4.440 4.550 0.001 0.000 0.291 666 Y C 1.155 177.081 175.900 0.043 0.000 1.137 666 Y CA 1.180 59.310 58.100 0.051 0.000 1.202 666 Y CB 0.090 38.578 38.460 0.047 0.000 0.990 666 Y HN -0.073 nan 8.280 nan 0.000 0.537 667 Q N 1.883 121.691 119.800 0.013 0.000 2.800 667 Q HA 0.066 4.406 4.340 0.001 0.000 0.261 667 Q C -0.880 175.083 176.000 -0.061 0.000 1.093 667 Q CA 0.298 56.063 55.803 -0.063 0.000 0.943 667 Q CB -0.287 28.465 28.738 0.024 0.000 1.591 667 Q HN 0.424 nan 8.270 nan 0.000 0.429 679 Y N 3.231 123.579 120.300 0.080 0.000 2.805 679 Y HA 0.343 4.893 4.550 0.000 0.000 0.339 679 Y C 0.359 176.325 175.900 0.110 0.000 1.012 679 Y CA -0.699 57.450 58.100 0.081 0.000 1.262 679 Y CB 0.432 38.940 38.460 0.081 0.000 1.100 679 Y HN 0.217 nan 8.280 nan 0.000 0.559 680 T N 0.278 114.876 114.554 0.073 0.000 3.018 680 T HA -0.020 4.331 4.350 0.001 0.000 0.338 680 T C 1.178 175.883 174.700 0.009 0.000 1.208 680 T CA -0.145 62.002 62.100 0.077 0.000 0.963 680 T CB 0.281 69.232 68.868 0.139 0.000 1.697 680 T HN 0.719 nan 8.240 nan 0.000 0.560 681 W N -0.096 121.174 121.300 -0.051 0.000 2.480 681 W HA 0.026 4.687 4.660 0.000 0.000 0.299 681 W C 2.347 178.806 176.519 -0.100 0.000 1.187 681 W CA 0.891 58.191 57.345 -0.074 0.000 1.347 681 W CB -0.609 28.855 29.460 0.006 0.000 1.121 681 W HN 0.613 nan 8.180 nan 0.000 0.533 682 S N 0.894 116.631 115.700 0.061 0.000 2.423 682 S HA -0.237 4.233 4.470 0.001 0.000 0.238 682 S C 2.049 176.540 174.600 -0.182 0.000 1.028 682 S CA 2.179 60.348 58.200 -0.051 0.000 1.000 682 S CB -0.332 62.904 63.200 0.060 0.000 0.797 682 S HN 0.483 nan 8.310 nan 0.000 0.487 683 S N 1.284 116.870 115.700 -0.190 0.000 2.357 683 S HA -0.000 4.470 4.470 0.001 0.000 0.221 683 S C 1.654 176.062 174.600 -0.321 0.000 1.031 683 S CA 0.853 58.943 58.200 -0.184 0.000 0.982 683 S CB -0.659 62.467 63.200 -0.124 0.000 0.853 683 S HN 0.375 nan 8.310 nan 0.000 0.458 684 L N 1.100 122.001 121.223 -0.536 0.000 2.353 684 L HA 0.097 4.437 4.340 0.001 0.000 0.220 684 L C 2.269 178.795 176.870 -0.573 0.000 1.133 684 L CA 0.770 55.258 54.840 -0.587 0.000 0.798 684 L CB -0.966 40.661 42.059 -0.719 0.000 0.922 684 L HN 0.333 nan 8.230 nan 0.000 0.445 685 L N -0.592 120.270 121.223 -0.600 0.000 2.116 685 L HA 0.043 4.383 4.340 0.001 0.000 0.200 685 L C 2.000 178.676 176.870 -0.324 0.000 1.084 685 L CA 1.548 56.074 54.840 -0.523 0.000 0.766 685 L CB -0.759 40.961 42.059 -0.564 0.000 0.930 685 L HN 0.178 nan 8.230 nan 0.000 0.453 686 N N 0.529 119.084 118.700 -0.242 0.000 2.609 686 N HA -0.122 4.618 4.740 0.001 0.000 0.190 686 N C 0.475 175.917 175.510 -0.115 0.000 1.157 686 N CA 0.639 53.601 53.050 -0.148 0.000 0.918 686 N CB -0.044 38.389 38.487 -0.091 0.000 0.978 686 N HN 0.588 nan 8.380 nan 0.000 0.448 687 E N -0.275 119.838 120.200 -0.145 0.000 2.585 687 E HA 0.155 4.506 4.350 0.001 0.000 0.206 687 E C -0.014 176.499 176.600 -0.145 0.000 1.007 687 E CA -0.473 55.867 56.400 -0.099 0.000 1.028 687 E CB 0.219 29.889 29.700 -0.049 0.000 1.087 687 E HN 0.155 nan 8.360 nan 0.000 0.455 688 G N 1.769 110.470 108.800 -0.166 0.000 2.142 688 G HA2 -0.250 3.710 3.960 0.001 0.000 0.255 688 G HA3 -0.250 3.710 3.960 0.001 0.000 0.255 688 G C 0.460 175.254 174.900 -0.177 0.000 0.803 688 G CA 0.576 45.579 45.100 -0.162 0.000 1.195 688 G HN 0.389 nan 8.290 nan 0.000 0.366 689 L N -0.687 120.392 121.223 -0.241 0.000 3.076 689 L HA 0.280 4.620 4.340 0.001 0.000 0.271 689 L C 0.230 176.981 176.870 -0.199 0.000 1.152 689 L CA 0.065 54.746 54.840 -0.266 0.000 0.996 689 L CB 0.758 42.562 42.059 -0.425 0.000 1.453 689 L HN 0.225 nan 8.230 nan 0.000 0.571 690 V N -0.054 119.732 119.914 -0.213 0.000 2.733 690 V HA 0.358 4.478 4.120 0.001 0.000 0.306 690 V C -0.925 175.075 176.094 -0.157 0.000 1.084 690 V CA -0.675 61.557 62.300 -0.113 0.000 0.905 690 V CB 2.816 34.503 31.823 -0.226 0.000 1.010 690 V HN 0.043 nan 8.190 nan 0.000 0.424 691 E N 1.975 122.174 120.200 -0.002 0.000 2.244 691 E HA 0.498 4.848 4.350 0.001 0.000 0.266 691 E C -1.507 175.163 176.600 0.116 0.000 0.914 691 E CA -0.824 55.560 56.400 -0.026 0.000 0.794 691 E CB 2.107 31.851 29.700 0.073 0.000 1.210 691 E HN 0.724 nan 8.360 nan 0.000 0.414 692 Y N 3.140 123.418 120.300 -0.036 0.000 2.650 692 Y HA 0.261 4.811 4.550 0.000 0.000 0.343 692 Y C 0.044 175.916 175.900 -0.046 0.000 1.078 692 Y CA -0.703 57.376 58.100 -0.035 0.000 1.356 692 Y CB 0.348 38.639 38.460 -0.281 0.000 1.204 692 Y HN 0.241 nan 8.280 nan 0.000 0.508 693 I N 5.159 125.836 120.570 0.179 0.000 2.301 693 I HA 0.025 4.196 4.170 0.001 0.000 0.292 693 I C 0.258 176.479 176.117 0.174 0.000 1.046 693 I CA -0.470 60.886 61.300 0.093 0.000 1.282 693 I CB 0.347 38.331 38.000 -0.027 0.000 1.409 693 I HN 0.599 nan 8.210 nan 0.000 0.484 694 D N 6.008 126.512 120.400 0.174 0.000 2.451 694 D HA 0.197 4.837 4.640 0.001 0.000 0.259 694 D C 1.010 177.430 176.300 0.199 0.000 1.201 694 D CA -0.483 53.651 54.000 0.222 0.000 1.028 694 D CB 1.158 42.085 40.800 0.212 0.000 1.095 694 D HN 0.449 nan 8.370 nan 0.000 0.539 695 A N 0.034 122.986 122.820 0.220 0.000 1.865 695 A HA -0.254 4.067 4.320 0.001 0.000 0.217 695 A C 2.063 179.811 177.584 0.274 0.000 1.191 695 A CA 2.305 54.490 52.037 0.248 0.000 0.623 695 A CB -0.993 18.180 19.000 0.288 0.000 0.826 695 A HN 0.721 nan 8.150 nan 0.000 0.444 696 E N -0.082 120.277 120.200 0.265 0.000 2.021 696 E HA -0.244 4.106 4.350 0.001 0.000 0.200 696 E C 1.980 178.699 176.600 0.199 0.000 1.015 696 E CA 1.982 58.535 56.400 0.256 0.000 0.824 696 E CB -0.370 29.478 29.700 0.246 0.000 0.762 696 E HN 0.672 nan 8.360 nan 0.000 0.454 697 E N -0.199 120.097 120.200 0.160 0.000 2.209 697 E HA -0.258 4.092 4.350 0.001 0.000 0.196 697 E C 1.903 178.558 176.600 0.092 0.000 0.993 697 E CA 1.108 57.573 56.400 0.107 0.000 0.819 697 E CB -0.107 29.642 29.700 0.081 0.000 0.745 697 E HN 0.371 nan 8.360 nan 0.000 0.477 698 E N 0.300 120.566 120.200 0.112 0.000 2.204 698 E HA -0.220 4.131 4.350 0.001 0.000 0.195 698 E C 1.758 178.414 176.600 0.093 0.000 0.990 698 E CA 0.746 57.198 56.400 0.088 0.000 0.821 698 E CB 0.161 29.932 29.700 0.119 0.000 0.750 698 E HN 0.190 nan 8.360 nan 0.000 0.477 699 E N 0.390 120.672 120.200 0.137 0.000 2.085 699 E HA -0.136 4.214 4.350 0.001 0.000 0.194 699 E C 1.414 178.068 176.600 0.089 0.000 0.994 699 E CA 1.379 57.861 56.400 0.137 0.000 0.801 699 E CB -0.102 29.708 29.700 0.184 0.000 0.743 699 E HN 0.237 nan 8.360 nan 0.000 0.453 700 S N 0.499 116.249 115.700 0.083 0.000 2.704 700 S HA 0.383 4.853 4.470 0.001 0.000 0.241 700 S C 0.610 175.258 174.600 0.080 0.000 1.264 700 S CA -0.603 57.640 58.200 0.071 0.000 1.236 700 S CB -1.108 62.132 63.200 0.067 0.000 0.928 700 S HN 0.270 nan 8.310 nan 0.000 0.492 701 I N -2.933 117.684 120.570 0.080 0.000 3.334 701 I HA 0.825 4.995 4.170 0.001 0.000 0.316 701 I C -2.117 174.053 176.117 0.089 0.000 1.251 701 I CA -1.828 59.544 61.300 0.121 0.000 0.929 701 I CB 1.856 39.946 38.000 0.150 0.000 1.317 701 I HN 0.136 nan 8.210 nan 0.000 0.479 702 L N 2.616 123.916 121.223 0.129 0.000 2.470 702 L HA 0.695 5.035 4.340 0.001 0.000 0.268 702 L C -1.610 175.381 176.870 0.201 0.000 0.964 702 L CA -0.238 54.651 54.840 0.081 0.000 0.839 702 L CB 1.696 43.736 42.059 -0.033 0.000 1.276 702 L HN 0.602 nan 8.230 nan 0.000 0.403 703 I N 3.841 124.523 120.570 0.187 0.000 2.562 703 I HA 0.820 4.990 4.170 0.001 0.000 0.301 703 I C 0.141 176.431 176.117 0.289 0.000 1.003 703 I CA -0.798 60.644 61.300 0.236 0.000 1.127 703 I CB 2.004 40.077 38.000 0.122 0.000 1.304 703 I HN 0.788 nan 8.210 nan 0.000 0.446 704 A N 4.209 127.148 122.820 0.198 0.000 2.306 704 A HA 0.592 4.912 4.320 0.001 0.000 0.330 704 A C 0.374 177.931 177.584 -0.044 0.000 1.146 704 A CA -0.525 51.497 52.037 -0.025 0.000 0.827 704 A CB 1.308 20.025 19.000 -0.471 0.000 1.178 704 A HN 0.783 nan 8.150 nan 0.000 0.490 705 M N 0.506 120.060 119.600 -0.077 0.000 2.100 705 M HA 0.043 4.524 4.480 0.001 0.000 0.254 705 M C 0.907 177.147 176.300 -0.101 0.000 1.106 705 M CA 1.820 57.071 55.300 -0.083 0.000 1.127 705 M CB -0.477 32.061 32.600 -0.102 0.000 1.263 705 M HN 0.746 nan 8.290 nan 0.000 0.427 706 Q N 0.845 120.578 119.800 -0.112 0.000 2.235 706 Q HA 0.189 4.529 4.340 0.001 0.000 0.250 706 Q C -1.783 174.161 176.000 -0.093 0.000 0.909 706 Q CA -1.723 54.028 55.803 -0.087 0.000 0.910 706 Q CB 0.931 29.626 28.738 -0.072 0.000 1.223 706 Q HN 0.245 nan 8.270 nan 0.000 0.432 707 P HA -0.258 nan 4.420 nan 0.000 0.215 707 P C 0.142 177.408 177.300 -0.056 0.000 1.153 707 P CA 1.538 64.636 63.100 -0.004 0.000 0.853 707 P CB 0.378 32.137 31.700 0.099 0.000 0.788 708 E N 0.151 120.321 120.200 -0.050 0.000 3.033 708 E HA -0.083 4.268 4.350 0.001 0.000 0.420 708 E C 1.480 177.993 176.600 -0.145 0.000 0.478 708 E CA -0.290 56.069 56.400 -0.069 0.000 2.555 708 E CB -1.220 28.458 29.700 -0.035 0.000 1.927 708 E HN -0.101 nan 8.360 nan 0.000 0.499 709 D N 0.780 121.090 120.400 -0.149 0.000 6.734 709 D HA -0.252 4.388 4.640 0.001 0.000 0.249 709 D C 1.480 177.525 176.300 -0.425 0.000 1.914 709 D CA 2.050 55.910 54.000 -0.234 0.000 0.743 709 D CB -0.466 40.250 40.800 -0.140 0.000 0.703 709 D HN 0.310 nan 8.370 nan 0.000 0.928 710 L N 0.573 121.605 121.223 -0.319 0.000 2.939 710 L HA 0.112 4.452 4.340 0.001 0.000 0.239 710 L C 1.358 178.004 176.870 -0.373 0.000 1.325 710 L CA 0.120 54.759 54.840 -0.335 0.000 1.170 710 L CB 0.059 41.915 42.059 -0.339 0.000 1.538 710 L HN -0.019 nan 8.230 nan 0.000 0.452 711 E N -0.469 119.556 120.200 -0.292 0.000 3.777 711 E HA 0.174 4.524 4.350 0.001 0.000 0.247 711 E C -1.648 174.974 176.600 0.037 0.000 1.256 711 E CA 0.010 56.377 56.400 -0.056 0.000 1.786 711 E CB -0.457 29.231 29.700 -0.019 0.000 1.722 711 E HN 0.217 nan 8.360 nan 0.000 0.810 712 P HA 0.072 nan 4.420 nan 0.000 0.302 712 P C -0.050 177.205 177.300 -0.075 0.000 1.301 712 P CA 0.284 63.317 63.100 -0.112 0.000 0.770 712 P CB 0.409 32.066 31.700 -0.073 0.000 1.458 713 A N -0.999 121.792 122.820 -0.048 0.000 2.717 713 A HA 0.421 4.742 4.320 0.001 0.000 0.262 713 A C -0.046 177.615 177.584 0.128 0.000 1.483 713 A CA -0.341 51.718 52.037 0.037 0.000 0.889 713 A CB 0.143 19.128 19.000 -0.023 0.000 1.604 713 A HN 0.603 nan 8.150 nan 0.000 0.523 714 E N -0.754 119.498 120.200 0.087 0.000 2.621 714 E HA 0.512 4.862 4.350 0.001 0.000 0.263 714 E C -0.399 176.228 176.600 0.044 0.000 1.033 714 E CA -0.524 55.925 56.400 0.081 0.000 0.778 714 E CB 0.874 30.617 29.700 0.073 0.000 1.426 714 E HN 0.870 nan 8.360 nan 0.000 0.394 723 V N 3.242 123.172 119.914 0.027 0.000 2.607 723 V HA 0.215 4.335 4.120 0.001 0.000 0.289 723 V C 0.447 176.559 176.094 0.029 0.000 1.053 723 V CA -0.412 61.905 62.300 0.029 0.000 0.996 723 V CB 1.358 33.200 31.823 0.031 0.000 0.995 723 V HN 0.196 nan 8.190 nan 0.000 0.476 724 D N 5.505 125.924 120.400 0.031 0.000 2.571 724 D HA 0.021 4.661 4.640 0.001 0.000 0.231 724 D C -1.309 175.009 176.300 0.030 0.000 1.133 724 D CA -0.468 53.551 54.000 0.032 0.000 0.862 724 D CB 1.492 42.314 40.800 0.037 0.000 1.179 724 D HN 0.449 nan 8.370 nan 0.000 0.474 725 P HA 0.163 nan 4.420 nan 0.000 0.261 725 P C 0.101 177.417 177.300 0.026 0.000 1.268 725 P CA 0.032 63.147 63.100 0.025 0.000 0.833 725 P CB 0.752 32.465 31.700 0.021 0.000 1.231 726 A N 0.289 123.127 122.820 0.030 0.000 1.970 726 A HA 0.157 4.477 4.320 0.001 0.000 0.204 726 A C 1.424 179.031 177.584 0.039 0.000 1.325 726 A CA 0.361 52.416 52.037 0.030 0.000 0.767 726 A CB -0.209 18.808 19.000 0.028 0.000 0.949 726 A HN 0.017 nan 8.150 nan 0.000 0.481 727 K N 0.553 120.980 120.400 0.046 0.000 2.351 727 K HA 0.047 4.367 4.320 0.001 0.000 0.255 727 K C 1.061 177.696 176.600 0.059 0.000 1.108 727 K CA 0.544 56.866 56.287 0.058 0.000 0.813 727 K CB 0.050 32.587 32.500 0.061 0.000 1.073 727 K HN 0.599 nan 8.250 nan 0.000 0.511 728 R N 0.017 120.556 120.500 0.066 0.000 2.221 728 R HA 0.396 4.736 4.340 0.001 0.000 0.157 728 R C 0.095 176.424 176.300 0.048 0.000 0.876 728 R CA -0.381 55.754 56.100 0.059 0.000 1.500 728 R CB 0.028 30.367 30.300 0.065 0.000 1.353 728 R HN 0.426 nan 8.270 nan 0.000 0.598 729 I N 1.187 121.783 120.570 0.044 0.000 2.603 729 I HA 0.297 4.468 4.170 0.001 0.000 0.276 729 I C -0.787 175.351 176.117 0.034 0.000 1.133 729 I CA -0.461 60.861 61.300 0.038 0.000 1.070 729 I CB 1.777 39.797 38.000 0.034 0.000 1.215 729 I HN 0.487 nan 8.210 nan 0.000 0.487 730 R N 3.467 123.987 120.500 0.033 0.000 2.308 730 R HA 0.451 4.792 4.340 0.001 0.000 0.305 730 R C 0.764 177.081 176.300 0.028 0.000 1.053 730 R CA -0.499 55.616 56.100 0.025 0.000 0.957 730 R CB 1.963 32.273 30.300 0.018 0.000 1.022 730 R HN 0.301 nan 8.270 nan 0.000 0.461 731 V N 1.458 121.388 119.914 0.027 0.000 2.227 731 V HA -0.189 3.931 4.120 0.001 0.000 0.165 731 V C 0.749 176.862 176.094 0.031 0.000 0.831 731 V CA 1.119 63.440 62.300 0.036 0.000 1.139 731 V CB -0.192 31.653 31.823 0.037 0.000 0.708 731 V HN 0.814 nan 8.190 nan 0.000 0.469 732 S N -1.454 114.258 115.700 0.019 0.000 2.688 732 S HA 0.450 4.921 4.470 0.001 0.000 0.275 732 S C -0.689 173.925 174.600 0.023 0.000 1.175 732 S CA -0.348 57.816 58.200 -0.060 0.000 0.818 732 S CB 1.389 64.320 63.200 -0.449 0.000 1.157 732 S HN 0.824 nan 8.310 nan 0.000 0.482 733 H N 0.321 119.267 119.070 -0.207 0.000 2.507 733 H HA 0.336 4.892 4.556 0.001 0.000 0.281 733 H C -0.726 174.642 175.328 0.067 0.000 1.160 733 H CA -0.424 55.642 56.048 0.031 0.000 0.981 733 H CB -0.894 28.869 29.762 0.002 0.000 1.665 733 H HN 0.456 nan 8.280 nan 0.000 0.554 734 H N 1.925 121.017 119.070 0.037 0.000 3.220 734 H HA 0.560 5.116 4.556 0.001 0.000 0.225 734 H C 0.062 175.381 175.328 -0.015 0.000 1.869 734 H CA 0.411 56.440 56.048 -0.032 0.000 1.428 734 H CB -0.532 29.199 29.762 -0.052 0.000 1.792 734 H HN 0.739 nan 8.280 nan 0.000 0.595 735 A N 0.655 123.539 122.820 0.107 0.000 2.594 735 A HA 0.311 4.631 4.320 0.001 0.000 0.301 735 A C -0.199 177.363 177.584 -0.037 0.000 1.022 735 A CA -0.782 51.209 52.037 -0.077 0.000 0.738 735 A CB 0.554 19.355 19.000 -0.331 0.000 1.263 735 A HN 0.238 nan 8.150 nan 0.000 0.409 736 T N 2.282 116.817 114.554 -0.032 0.000 3.438 736 T HA 0.425 4.775 4.350 0.001 0.000 0.244 736 T C 0.620 175.322 174.700 0.003 0.000 1.269 736 T CA 0.536 62.692 62.100 0.094 0.000 1.371 736 T CB -0.160 68.785 68.868 0.129 0.000 1.002 736 T HN 0.835 nan 8.240 nan 0.000 0.637 737 T N -1.117 113.339 114.554 -0.163 0.000 2.966 737 T HA 0.247 4.598 4.350 0.001 0.000 0.254 737 T C 0.613 175.276 174.700 -0.061 0.000 0.961 737 T CA -0.453 61.574 62.100 -0.122 0.000 0.915 737 T CB -0.257 68.507 68.868 -0.174 0.000 1.186 737 T HN 0.399 nan 8.240 nan 0.000 0.505 738 F N 4.369 124.342 119.950 0.039 0.000 2.190 738 F HA -0.087 4.440 4.527 0.001 0.000 0.405 738 F C 2.098 177.899 175.800 0.002 0.000 0.957 738 F CA 0.407 58.429 58.000 0.037 0.000 0.958 738 F CB -0.453 38.574 39.000 0.046 0.000 0.790 738 F HN 0.229 nan 8.300 nan 0.000 0.499 739 T N -0.787 113.857 114.554 0.150 0.000 2.978 739 T HA 0.053 4.403 4.350 0.001 0.000 0.262 739 T C 0.275 174.775 174.700 -0.334 0.000 1.063 739 T CA 0.800 62.860 62.100 -0.067 0.000 1.140 739 T CB -0.132 68.737 68.868 0.001 0.000 0.886 739 T HN 0.560 nan 8.240 nan 0.000 0.470 740 H N -1.200 117.958 119.070 0.146 0.000 2.949 740 H HA 0.760 5.316 4.556 0.001 0.000 0.356 740 H C -1.208 174.202 175.328 0.136 0.000 1.212 740 H CA -1.102 55.026 56.048 0.133 0.000 1.136 740 H CB 1.563 31.394 29.762 0.115 0.000 1.869 740 H HN 0.318 nan 8.280 nan 0.000 0.556 741 C N 0.749 120.204 119.300 0.258 0.000 2.888 741 C HA 0.452 4.913 4.460 0.001 0.000 0.308 741 C C -0.681 174.324 174.990 0.025 0.000 1.213 741 C CA -0.484 58.614 59.018 0.134 0.000 1.461 741 C CB 1.078 28.888 27.740 0.117 0.000 1.934 741 C HN 0.932 nan 8.230 nan 0.000 0.474 742 E N 3.317 123.499 120.200 -0.030 0.000 2.299 742 E HA 0.193 4.543 4.350 0.001 0.000 0.272 742 E C 1.381 177.800 176.600 -0.301 0.000 1.043 742 E CA -0.151 56.186 56.400 -0.105 0.000 0.895 742 E CB 0.433 30.128 29.700 -0.008 0.000 1.011 742 E HN 0.488 nan 8.360 nan 0.000 0.432 743 I N 2.377 122.648 120.570 -0.499 0.000 2.074 743 I HA -0.262 3.908 4.170 0.001 0.000 0.238 743 I C 0.911 176.866 176.117 -0.270 0.000 1.037 743 I CA 1.865 62.762 61.300 -0.671 0.000 1.301 743 I CB -1.253 36.537 38.000 -0.350 0.000 1.016 743 I HN 0.621 nan 8.210 nan 0.000 0.400 744 H N 0.128 119.037 119.070 -0.267 0.000 3.079 744 H HA 0.273 4.829 4.556 0.001 0.000 0.356 744 H C -2.090 173.194 175.328 -0.074 0.000 1.221 744 H CA -1.166 54.739 56.048 -0.239 0.000 1.185 744 H CB 2.279 31.762 29.762 -0.465 0.000 1.882 744 H HN -0.271 nan 8.280 nan 0.000 0.543 745 P HA -0.160 nan 4.420 nan 0.000 0.216 745 P C 1.213 178.534 177.300 0.036 0.000 1.153 745 P CA 1.902 64.863 63.100 -0.232 0.000 0.844 745 P CB 0.084 31.494 31.700 -0.483 0.000 0.787 746 S N -0.729 115.111 115.700 0.233 0.000 2.484 746 S HA -0.156 4.315 4.470 0.001 0.000 0.250 746 S C 1.671 176.413 174.600 0.237 0.000 0.995 746 S CA 1.111 59.564 58.200 0.422 0.000 0.967 746 S CB -1.179 62.403 63.200 0.635 0.000 0.752 746 S HN -0.043 nan 8.310 nan 0.000 0.517 747 M N 1.415 121.109 119.600 0.157 0.000 2.659 747 M HA 0.291 4.771 4.480 0.001 0.000 0.243 747 M C 1.592 177.857 176.300 -0.059 0.000 1.111 747 M CA 0.023 55.371 55.300 0.080 0.000 1.070 747 M CB -1.290 31.369 32.600 0.099 0.000 1.525 747 M HN 0.574 nan 8.290 nan 0.000 0.517 748 I N -2.137 118.328 120.570 -0.175 0.000 2.761 748 I HA -0.041 4.130 4.170 0.001 0.000 0.261 748 I C 0.977 176.958 176.117 -0.226 0.000 1.198 748 I CA 0.170 61.239 61.300 -0.384 0.000 1.482 748 I CB -0.440 37.101 38.000 -0.764 0.000 1.100 748 I HN 0.019 nan 8.210 nan 0.000 0.445 749 L N 1.396 122.551 121.223 -0.113 0.000 2.475 749 L HA 0.517 4.857 4.340 0.001 0.000 0.253 749 L C 0.666 177.488 176.870 -0.079 0.000 1.198 749 L CA -0.258 54.531 54.840 -0.085 0.000 0.814 749 L CB 0.492 42.521 42.059 -0.050 0.000 1.134 749 L HN 0.161 nan 8.230 nan 0.000 0.478 750 G N -0.943 107.807 108.800 -0.084 0.000 2.569 750 G HA2 0.468 4.428 3.960 0.001 0.000 0.300 750 G HA3 0.468 4.428 3.960 0.001 0.000 0.300 750 G C 0.679 175.524 174.900 -0.092 0.000 1.269 750 G CA -0.496 44.553 45.100 -0.084 0.000 0.959 750 G HN 0.453 nan 8.290 nan 0.000 0.478 751 V N 1.319 121.174 119.914 -0.099 0.000 2.308 751 V HA -0.437 3.683 4.120 0.001 0.000 0.251 751 V C 3.276 179.296 176.094 -0.123 0.000 1.055 751 V CA 3.471 65.702 62.300 -0.115 0.000 1.105 751 V CB -1.751 30.007 31.823 -0.108 0.000 0.785 751 V HN 1.111 nan 8.190 nan 0.000 0.479 752 A N 0.352 123.109 122.820 -0.104 0.000 1.849 752 A HA -0.177 4.143 4.320 0.001 0.000 0.217 752 A C 2.477 179.993 177.584 -0.115 0.000 1.202 752 A CA 3.851 55.827 52.037 -0.101 0.000 0.629 752 A CB -1.352 17.605 19.000 -0.072 0.000 0.834 752 A HN 1.106 nan 8.150 nan 0.000 0.447 753 A N -0.501 122.260 122.820 -0.097 0.000 1.903 753 A HA -0.171 4.149 4.320 0.001 0.000 0.219 753 A C 2.311 179.820 177.584 -0.125 0.000 1.191 753 A CA 2.422 54.400 52.037 -0.097 0.000 0.638 753 A CB -1.266 17.686 19.000 -0.081 0.000 0.823 753 A HN 0.638 nan 8.150 nan 0.000 0.451 754 S N -0.227 115.398 115.700 -0.125 0.000 2.484 754 S HA -0.167 4.303 4.470 0.001 0.000 0.250 754 S C 1.271 175.748 174.600 -0.206 0.000 0.995 754 S CA 1.611 59.730 58.200 -0.135 0.000 0.967 754 S CB -0.649 62.479 63.200 -0.119 0.000 0.752 754 S HN 0.650 nan 8.310 nan 0.000 0.517 755 I N -0.105 120.311 120.570 -0.256 0.000 3.956 755 I HA 0.268 4.438 4.170 0.001 0.000 0.333 755 I C -0.022 175.933 176.117 -0.269 0.000 1.302 755 I CA 0.007 61.088 61.300 -0.366 0.000 1.122 755 I CB -0.022 37.682 38.000 -0.493 0.000 1.013 755 I HN 0.098 nan 8.210 nan 0.000 0.405 756 I N 4.869 125.310 120.570 -0.215 0.000 2.352 756 I HA 0.242 4.413 4.170 0.001 0.000 0.290 756 I C -2.079 173.916 176.117 -0.204 0.000 1.036 756 I CA -1.894 59.278 61.300 -0.214 0.000 1.336 756 I CB 0.463 38.367 38.000 -0.161 0.000 1.407 756 I HN -0.165 nan 8.210 nan 0.000 0.497 757 P HA 0.068 nan 4.420 nan 0.000 0.274 757 P C 0.021 177.251 177.300 -0.117 0.000 1.231 757 P CA -0.130 62.770 63.100 -0.333 0.000 0.790 757 P CB 0.368 31.852 31.700 -0.361 0.000 0.951 758 F N -0.599 119.414 119.950 0.105 0.000 2.926 758 F HA -0.183 4.344 4.527 0.001 0.000 0.236 758 F C -0.698 175.189 175.800 0.146 0.000 1.013 758 F CA -0.372 57.744 58.000 0.194 0.000 0.826 758 F CB -1.780 37.390 39.000 0.284 0.000 0.695 758 F HN 0.373 nan 8.300 nan 0.000 0.810 759 P HA -0.195 nan 4.420 nan 0.000 0.224 759 P C 0.558 177.856 177.300 -0.003 0.000 1.142 759 P CA 1.821 64.942 63.100 0.035 0.000 0.778 759 P CB -0.075 31.579 31.700 -0.077 0.000 0.764 760 D N -1.290 119.077 120.400 -0.055 0.000 2.889 760 D HA -0.001 4.639 4.640 0.001 0.000 0.243 760 D C 0.433 176.490 176.300 -0.405 0.000 1.270 760 D CA -0.406 53.481 54.000 -0.187 0.000 0.838 760 D CB -0.696 39.949 40.800 -0.259 0.000 1.040 760 D HN 0.309 nan 8.370 nan 0.000 0.480 761 H N -0.524 118.598 119.070 0.087 0.000 3.538 761 H HA 0.157 4.713 4.556 0.001 0.000 0.264 761 H C -0.498 174.866 175.328 0.059 0.000 1.146 761 H CA -0.420 55.668 56.048 0.066 0.000 1.097 761 H CB 0.481 30.286 29.762 0.071 0.000 2.087 761 H HN 0.091 nan 8.280 nan 0.000 0.797 762 N N 1.471 120.257 118.700 0.143 0.000 2.269 762 N HA 0.075 4.816 4.740 0.001 0.000 0.304 762 N C -0.044 175.494 175.510 0.047 0.000 1.072 762 N CA -0.486 52.626 53.050 0.102 0.000 0.802 762 N CB 2.434 41.005 38.487 0.140 0.000 1.348 762 N HN 0.213 nan 8.380 nan 0.000 0.484 763 Q N 1.366 121.176 119.800 0.018 0.000 2.256 763 Q HA -0.047 4.293 4.340 0.001 0.000 0.281 763 Q C 1.120 177.108 176.000 -0.021 0.000 1.162 763 Q CA 0.335 56.133 55.803 -0.009 0.000 0.943 763 Q CB 0.317 29.035 28.738 -0.033 0.000 1.195 763 Q HN 0.725 nan 8.270 nan 0.000 0.403 764 S N 4.972 120.669 115.700 -0.005 0.000 2.636 764 S HA -0.246 4.224 4.470 0.001 0.000 0.344 764 S C -0.770 173.814 174.600 -0.026 0.000 1.333 764 S CA 2.247 60.444 58.200 -0.005 0.000 1.176 764 S CB -1.009 62.191 63.200 0.001 0.000 1.291 764 S HN 0.885 nan 8.310 nan 0.000 0.453 765 P HA -0.077 nan 4.420 nan 0.000 0.217 765 P C 1.371 178.538 177.300 -0.223 0.000 1.151 765 P CA 1.078 64.109 63.100 -0.116 0.000 0.828 765 P CB -0.288 31.321 31.700 -0.151 0.000 0.788 766 R N 0.212 120.575 120.500 -0.227 0.000 2.119 766 R HA -0.127 4.213 4.340 0.001 0.000 0.246 766 R C 2.024 178.295 176.300 -0.048 0.000 1.146 766 R CA 1.112 57.086 56.100 -0.211 0.000 0.962 766 R CB -1.464 28.795 30.300 -0.069 0.000 0.863 766 R HN 0.346 nan 8.270 nan 0.000 0.442 767 N N -0.149 118.548 118.700 -0.004 0.000 2.188 767 N HA -0.090 4.651 4.740 0.001 0.000 0.184 767 N C 1.535 177.078 175.510 0.055 0.000 1.018 767 N CA 1.584 54.650 53.050 0.028 0.000 0.858 767 N CB -0.331 38.163 38.487 0.013 0.000 0.989 767 N HN 0.225 nan 8.380 nan 0.000 0.426 768 T N 0.570 115.166 114.554 0.070 0.000 2.929 768 T HA -0.089 4.262 4.350 0.001 0.000 0.271 768 T C 1.662 176.514 174.700 0.252 0.000 1.085 768 T CA 0.910 63.086 62.100 0.127 0.000 1.125 768 T CB -0.242 68.708 68.868 0.135 0.000 0.874 768 T HN 0.390 nan 8.240 nan 0.000 0.494 769 Y N 0.914 121.211 120.300 -0.005 0.000 2.138 769 Y HA -0.118 4.432 4.550 0.001 0.000 0.286 769 Y C 2.994 178.889 175.900 -0.008 0.000 1.115 769 Y CA 0.468 58.567 58.100 -0.002 0.000 1.105 769 Y CB -0.228 38.239 38.460 0.013 0.000 1.004 769 Y HN 0.055 nan 8.280 nan 0.000 0.494 770 Q N 0.699 120.607 119.800 0.181 0.000 2.268 770 Q HA -0.171 4.169 4.340 0.001 0.000 0.210 770 Q C 1.626 177.640 176.000 0.022 0.000 0.988 770 Q CA 1.777 57.620 55.803 0.067 0.000 0.883 770 Q CB -0.437 28.303 28.738 0.004 0.000 0.911 770 Q HN 0.147 nan 8.270 nan 0.000 0.430 771 S N -1.159 114.558 115.700 0.029 0.000 2.701 771 S HA 0.307 4.777 4.470 0.001 0.000 0.220 771 S C 0.854 175.448 174.600 -0.010 0.000 0.954 771 S CA 0.397 58.594 58.200 -0.005 0.000 0.936 771 S CB 0.172 63.367 63.200 -0.008 0.000 0.777 771 S HN 0.529 nan 8.310 nan 0.000 0.518 772 A N 0.088 122.906 122.820 -0.003 0.000 2.141 772 A HA 0.400 4.721 4.320 0.001 0.000 0.196 772 A C 1.599 179.170 177.584 -0.022 0.000 1.502 772 A CA -0.149 51.871 52.037 -0.028 0.000 1.075 772 A CB -0.021 18.943 19.000 -0.060 0.000 1.217 772 A HN 0.405 nan 8.150 nan 0.000 0.477 773 M N -0.074 119.523 119.600 -0.006 0.000 2.388 773 M HA 0.049 4.529 4.480 0.001 0.000 0.265 773 M C 2.052 178.359 176.300 0.012 0.000 1.088 773 M CA 1.170 56.470 55.300 0.001 0.000 1.134 773 M CB -0.228 32.384 32.600 0.021 0.000 1.384 773 M HN 0.472 nan 8.290 nan 0.000 0.447 774 G N 1.146 109.955 108.800 0.015 0.000 2.535 774 G HA2 -0.168 3.792 3.960 0.001 0.000 0.218 774 G HA3 -0.168 3.792 3.960 0.001 0.000 0.218 774 G C 1.401 176.332 174.900 0.052 0.000 1.122 774 G CA 0.556 45.675 45.100 0.032 0.000 0.769 774 G HN 0.438 nan 8.290 nan 0.000 0.549 775 K N -0.317 120.108 120.400 0.041 0.000 2.410 775 K HA 0.186 4.507 4.320 0.001 0.000 0.200 775 K C 1.225 177.887 176.600 0.102 0.000 1.023 775 K CA 0.086 56.428 56.287 0.093 0.000 1.149 775 K CB 0.503 33.035 32.500 0.054 0.000 0.859 775 K HN 0.288 nan 8.250 nan 0.000 0.514 776 Q N -0.408 119.392 119.800 -0.000 0.000 2.103 776 Q HA 0.243 4.584 4.340 0.001 0.000 0.219 776 Q C -0.119 175.814 176.000 -0.112 0.000 0.784 776 Q CA -0.298 55.428 55.803 -0.128 0.000 1.014 776 Q CB 1.501 30.168 28.738 -0.118 0.000 1.183 776 Q HN 0.178 nan 8.270 nan 0.000 0.469 777 A N 0.868 123.678 122.820 -0.017 0.000 2.257 777 A HA 0.697 5.017 4.320 0.001 0.000 0.290 777 A C -0.128 177.474 177.584 0.029 0.000 1.201 777 A CA -0.195 51.850 52.037 0.013 0.000 0.863 777 A CB 0.634 19.675 19.000 0.069 0.000 1.256 777 A HN 0.180 nan 8.150 nan 0.000 0.506 778 M N -1.188 118.451 119.600 0.065 0.000 2.662 778 M HA 0.587 5.067 4.480 0.001 0.000 0.310 778 M C 0.531 176.897 176.300 0.109 0.000 1.204 778 M CA 0.210 55.560 55.300 0.084 0.000 0.891 778 M CB 2.364 35.007 32.600 0.071 0.000 1.732 778 M HN 1.069 nan 8.290 nan 0.000 0.467 779 G N 0.677 109.536 108.800 0.100 0.000 2.570 779 G HA2 0.322 4.283 3.960 0.001 0.000 0.072 779 G HA3 0.322 4.283 3.960 0.001 0.000 0.072 779 G C -1.781 173.125 174.900 0.011 0.000 1.030 779 G CA -0.360 44.777 45.100 0.063 0.000 1.277 779 G HN 0.523 nan 8.290 nan 0.000 0.559 780 V N 2.263 122.170 119.914 -0.010 0.000 2.509 780 V HA 0.379 4.500 4.120 0.001 0.000 0.289 780 V C 0.463 176.529 176.094 -0.047 0.000 1.026 780 V CA -0.271 61.955 62.300 -0.124 0.000 0.872 780 V CB 0.967 32.692 31.823 -0.163 0.000 1.017 780 V HN 0.873 nan 8.190 nan 0.000 0.436 781 F N 3.885 123.881 119.950 0.076 0.000 2.456 781 F HA 0.572 5.099 4.527 0.000 0.000 0.298 781 F C 0.222 176.127 175.800 0.175 0.000 1.104 781 F CA 0.324 58.413 58.000 0.149 0.000 1.435 781 F CB -0.039 39.022 39.000 0.102 0.000 1.078 781 F HN 0.262 nan 8.300 nan 0.000 0.546 782 L N -0.818 120.283 121.223 -0.203 0.000 2.940 782 L HA 0.204 4.545 4.340 0.001 0.000 0.270 782 L C 0.696 177.404 176.870 -0.270 0.000 1.030 782 L CA -0.025 54.760 54.840 -0.092 0.000 0.928 782 L CB 1.985 44.135 42.059 0.151 0.000 1.506 782 L HN -0.002 nan 8.230 nan 0.000 0.405 783 T N -4.134 110.294 114.554 -0.210 0.000 3.014 783 T HA -0.008 4.342 4.350 0.001 0.000 0.250 783 T C 0.917 175.402 174.700 -0.358 0.000 1.060 783 T CA 0.411 62.353 62.100 -0.265 0.000 1.040 783 T CB -0.242 68.491 68.868 -0.226 0.000 0.971 783 T HN 0.643 nan 8.240 nan 0.000 0.497 784 N N 1.529 120.073 118.700 -0.260 0.000 2.421 784 N HA -0.058 4.682 4.740 0.001 0.000 0.201 784 N C 1.441 176.826 175.510 -0.208 0.000 1.198 784 N CA -0.029 52.872 53.050 -0.248 0.000 0.838 784 N CB -0.682 37.717 38.487 -0.147 0.000 1.011 784 N HN 0.672 nan 8.380 nan 0.000 0.463 785 Y N 0.706 120.852 120.300 -0.257 0.000 2.241 785 Y HA -0.107 4.443 4.550 0.001 0.000 0.286 785 Y C 1.803 177.548 175.900 -0.259 0.000 1.166 785 Y CA 1.173 59.102 58.100 -0.286 0.000 1.203 785 Y CB -1.352 36.763 38.460 -0.574 0.000 0.977 785 Y HN -0.006 nan 8.280 nan 0.000 0.529 786 N N 0.462 118.815 118.700 -0.577 0.000 2.334 786 N HA -0.119 4.621 4.740 0.001 0.000 0.187 786 N C 0.272 175.709 175.510 -0.122 0.000 1.016 786 N CA 1.545 54.397 53.050 -0.330 0.000 0.879 786 N CB -0.103 38.120 38.487 -0.440 0.000 0.965 786 N HN 0.346 nan 8.380 nan 0.000 0.438 787 V N 0.081 119.929 119.914 -0.109 0.000 2.843 787 V HA 0.354 4.474 4.120 0.001 0.000 0.366 787 V C -0.150 175.945 176.094 0.001 0.000 1.283 787 V CA -0.330 61.945 62.300 -0.042 0.000 1.303 787 V CB -0.103 31.689 31.823 -0.051 0.000 1.418 787 V HN 0.074 nan 8.190 nan 0.000 0.598 788 R N 1.092 121.607 120.500 0.025 0.000 2.439 788 R HA 0.568 4.908 4.340 0.001 0.000 0.310 788 R C -0.402 175.930 176.300 0.054 0.000 0.955 788 R CA -0.677 55.461 56.100 0.063 0.000 0.853 788 R CB 1.923 32.308 30.300 0.142 0.000 1.171 788 R HN 0.135 nan 8.270 nan 0.000 0.449 789 M N 3.240 122.872 119.600 0.052 0.000 3.242 789 M HA 0.094 4.574 4.480 0.001 0.000 0.250 789 M C -0.701 175.618 176.300 0.032 0.000 1.239 789 M CA -0.652 54.675 55.300 0.045 0.000 1.205 789 M CB -0.836 31.792 32.600 0.046 0.000 1.189 789 M HN 0.448 nan 8.290 nan 0.000 0.531 790 D N 0.229 120.641 120.400 0.020 0.000 2.225 790 D HA 0.211 4.851 4.640 0.001 0.000 0.248 790 D C 0.218 176.500 176.300 -0.030 0.000 1.096 790 D CA -0.399 53.591 54.000 -0.017 0.000 0.863 790 D CB 0.516 41.278 40.800 -0.063 0.000 1.156 790 D HN 0.220 nan 8.370 nan 0.000 0.450 791 T N 0.368 114.892 114.554 -0.051 0.000 2.829 791 T HA 0.236 4.587 4.350 0.001 0.000 0.293 791 T C 0.847 175.510 174.700 -0.063 0.000 0.970 791 T CA -0.846 61.202 62.100 -0.086 0.000 1.168 791 T CB -0.135 68.673 68.868 -0.099 0.000 0.911 791 T HN 0.704 nan 8.240 nan 0.000 0.535 792 M N 1.875 121.430 119.600 -0.076 0.000 4.046 792 M HA -0.072 4.408 4.480 0.001 0.000 0.157 792 M C -0.752 175.600 176.300 0.086 0.000 1.532 792 M CA 0.860 56.165 55.300 0.008 0.000 1.097 792 M CB -1.215 31.440 32.600 0.092 0.000 1.346 792 M HN 1.431 nan 8.290 nan 0.000 0.191 793 A N 5.081 128.007 122.820 0.177 0.000 2.566 793 A HA 0.829 5.149 4.320 0.001 0.000 0.297 793 A C -1.400 176.399 177.584 0.358 0.000 1.059 793 A CA -0.874 51.307 52.037 0.239 0.000 0.691 793 A CB 1.519 20.672 19.000 0.255 0.000 1.282 793 A HN 0.772 nan 8.150 nan 0.000 0.401 794 N N 0.864 119.752 118.700 0.314 0.000 2.399 794 N HA 0.607 5.347 4.740 0.001 0.000 0.280 794 N C -1.653 173.943 175.510 0.143 0.000 1.008 794 N CA -0.190 53.012 53.050 0.253 0.000 0.894 794 N CB 1.774 40.349 38.487 0.146 0.000 1.273 794 N HN 0.459 nan 8.380 nan 0.000 0.486 795 I N 2.338 122.951 120.570 0.071 0.000 2.418 795 I HA 0.208 4.378 4.170 0.001 0.000 0.287 795 I C -0.331 175.827 176.117 0.069 0.000 1.008 795 I CA -0.717 60.547 61.300 -0.061 0.000 1.104 795 I CB 1.553 39.301 38.000 -0.421 0.000 1.264 795 I HN 0.314 nan 8.210 nan 0.000 0.438 796 L N 7.582 128.854 121.223 0.082 0.000 2.462 796 L HA 0.124 4.464 4.340 0.001 0.000 0.272 796 L C 0.716 177.721 176.870 0.226 0.000 1.166 796 L CA 0.615 55.536 54.840 0.134 0.000 0.880 796 L CB -0.100 42.030 42.059 0.119 0.000 1.142 796 L HN 0.490 nan 8.230 nan 0.000 0.473 797 Y N 5.267 125.589 120.300 0.036 0.000 1.956 797 Y HA -0.261 4.290 4.550 0.001 0.000 0.258 797 Y C 0.584 176.700 175.900 0.360 0.000 1.152 797 Y CA 1.718 59.855 58.100 0.061 0.000 1.093 797 Y CB -0.705 37.598 38.460 -0.261 0.000 0.945 797 Y HN 0.525 nan 8.280 nan 0.000 0.488 798 Y N 1.009 121.401 120.300 0.153 0.000 2.587 798 Y HA 0.286 4.836 4.550 0.001 0.000 0.328 798 Y C -2.104 173.784 175.900 -0.021 0.000 0.980 798 Y CA -2.848 55.271 58.100 0.031 0.000 1.272 798 Y CB 0.675 39.141 38.460 0.010 0.000 1.094 798 Y HN 0.022 nan 8.280 nan 0.000 0.503 799 P HA 0.207 nan 4.420 nan 0.000 0.275 799 P C -0.979 176.329 177.300 0.013 0.000 1.266 799 P CA -0.311 62.813 63.100 0.040 0.000 0.793 799 P CB 0.820 32.511 31.700 -0.015 0.000 1.074 800 Q N -0.452 119.357 119.800 0.015 0.000 2.327 800 Q HA 0.190 4.530 4.340 0.001 0.000 0.265 800 Q C -0.994 174.957 176.000 -0.081 0.000 0.993 800 Q CA -0.903 54.895 55.803 -0.009 0.000 0.885 800 Q CB 2.224 30.994 28.738 0.052 0.000 1.379 800 Q HN 0.380 nan 8.270 nan 0.000 0.408 801 K N 1.940 122.234 120.400 -0.177 0.000 2.339 801 K HA 0.387 4.708 4.320 0.001 0.000 0.286 801 K C -2.307 174.078 176.600 -0.359 0.000 1.050 801 K CA -1.343 54.771 56.287 -0.288 0.000 0.956 801 K CB 0.463 32.835 32.500 -0.214 0.000 0.990 801 K HN 0.140 nan 8.250 nan 0.000 0.475 802 P HA -0.092 nan 4.420 nan 0.000 0.265 802 P C 0.396 177.506 177.300 -0.318 0.000 1.187 802 P CA 0.072 62.728 63.100 -0.739 0.000 0.766 802 P CB 0.688 31.814 31.700 -0.957 0.000 0.820 803 L N 1.184 122.282 121.223 -0.207 0.000 2.275 803 L HA 0.034 4.374 4.340 0.001 0.000 0.215 803 L C 1.585 178.390 176.870 -0.108 0.000 1.119 803 L CA 1.109 55.879 54.840 -0.117 0.000 0.790 803 L CB -0.660 41.360 42.059 -0.066 0.000 0.919 803 L HN 0.501 nan 8.230 nan 0.000 0.443 804 G N -0.560 108.156 108.800 -0.140 0.000 2.388 804 G HA2 0.561 4.521 3.960 0.001 0.000 0.330 804 G HA3 0.561 4.521 3.960 0.001 0.000 0.330 804 G C -0.629 174.161 174.900 -0.184 0.000 1.142 804 G CA -0.050 44.959 45.100 -0.151 0.000 0.908 804 G HN 0.044 nan 8.290 nan 0.000 0.473 805 T N -2.105 112.340 114.554 -0.182 0.000 2.841 805 T HA 0.723 5.074 4.350 0.001 0.000 0.296 805 T C -0.641 173.951 174.700 -0.181 0.000 1.166 805 T CA -0.736 61.263 62.100 -0.168 0.000 1.007 805 T CB 2.097 70.890 68.868 -0.126 0.000 1.253 805 T HN 0.383 nan 8.240 nan 0.000 0.511 806 T N 1.740 116.189 114.554 -0.175 0.000 2.792 806 T HA 0.375 4.726 4.350 0.001 0.000 0.280 806 T C 1.332 175.913 174.700 -0.198 0.000 0.990 806 T CA -0.948 61.057 62.100 -0.159 0.000 0.960 806 T CB 1.484 70.263 68.868 -0.148 0.000 0.939 806 T HN 0.554 nan 8.240 nan 0.000 0.439 807 R N 1.940 122.266 120.500 -0.290 0.000 2.226 807 R HA -0.137 4.203 4.340 0.001 0.000 0.246 807 R C 2.183 178.257 176.300 -0.377 0.000 1.161 807 R CA 1.240 56.988 56.100 -0.587 0.000 0.997 807 R CB -0.927 28.526 30.300 -1.412 0.000 0.870 807 R HN 0.705 nan 8.270 nan 0.000 0.465 808 A N 1.221 123.932 122.820 -0.182 0.000 1.898 808 A HA -0.108 4.212 4.320 0.001 0.000 0.216 808 A C 2.293 179.891 177.584 0.022 0.000 1.181 808 A CA 1.161 53.204 52.037 0.010 0.000 0.620 808 A CB -0.375 18.624 19.000 -0.002 0.000 0.819 808 A HN 0.190 nan 8.150 nan 0.000 0.442 809 M N -0.759 118.782 119.600 -0.098 0.000 2.116 809 M HA -0.295 4.185 4.480 0.001 0.000 0.255 809 M C 2.069 178.333 176.300 -0.061 0.000 1.075 809 M CA 2.221 57.462 55.300 -0.097 0.000 1.087 809 M CB -0.703 31.843 32.600 -0.089 0.000 1.340 809 M HN 0.613 nan 8.290 nan 0.000 0.402 810 E N 0.208 120.305 120.200 -0.171 0.000 2.136 810 E HA -0.242 4.109 4.350 0.001 0.000 0.202 810 E C 1.405 177.727 176.600 -0.464 0.000 1.019 810 E CA 1.916 58.091 56.400 -0.376 0.000 0.819 810 E CB -0.065 29.242 29.700 -0.654 0.000 0.739 810 E HN 0.678 nan 8.360 nan 0.000 0.458 811 Y N -0.859 119.329 120.300 -0.187 0.000 2.482 811 Y HA 0.173 4.723 4.550 0.000 0.000 0.270 811 Y C 1.506 177.257 175.900 -0.249 0.000 1.152 811 Y CA 0.127 58.049 58.100 -0.296 0.000 1.292 811 Y CB 0.246 38.257 38.460 -0.749 0.000 1.070 811 Y HN -0.004 nan 8.280 nan 0.000 0.528 812 L N 0.293 121.511 121.223 -0.009 0.000 2.653 812 L HA 0.110 4.451 4.340 0.001 0.000 0.231 812 L C 0.065 177.097 176.870 0.269 0.000 1.153 812 L CA -0.089 54.789 54.840 0.063 0.000 0.933 812 L CB -0.118 41.931 42.059 -0.016 0.000 1.175 812 L HN -0.028 nan 8.230 nan 0.000 0.473 813 K N 0.215 120.736 120.400 0.202 0.000 4.418 813 K HA -0.257 4.064 4.320 0.001 0.000 0.285 813 K C 0.271 177.006 176.600 0.225 0.000 0.874 813 K CA 0.595 57.008 56.287 0.210 0.000 0.844 813 K CB -1.597 31.081 32.500 0.297 0.000 1.691 813 K HN 0.178 nan 8.250 nan 0.000 0.433 814 F N 0.770 120.711 119.950 -0.014 0.000 2.399 814 F HA 0.116 4.643 4.527 0.000 0.000 0.282 814 F C 2.016 177.767 175.800 -0.081 0.000 1.027 814 F CA 0.412 58.396 58.000 -0.027 0.000 1.333 814 F CB 0.078 39.058 39.000 -0.034 0.000 1.132 814 F HN 0.217 nan 8.300 nan 0.000 0.590 815 R N 0.250 120.720 120.500 -0.050 0.000 2.261 815 R HA -0.186 4.154 4.340 0.001 0.000 0.236 815 R C 1.532 177.709 176.300 -0.207 0.000 1.141 815 R CA 1.622 57.627 56.100 -0.159 0.000 1.001 815 R CB -0.349 29.895 30.300 -0.092 0.000 0.866 815 R HN 0.332 nan 8.270 nan 0.000 0.468 816 E N 0.080 120.155 120.200 -0.208 0.000 2.102 816 E HA 0.099 4.450 4.350 0.001 0.000 0.190 816 E C 0.208 176.539 176.600 -0.449 0.000 0.971 816 E CA 0.693 56.910 56.400 -0.304 0.000 0.821 816 E CB 0.471 29.971 29.700 -0.332 0.000 0.777 816 E HN 0.128 nan 8.360 nan 0.000 0.460 817 L N 2.210 123.160 121.223 -0.456 0.000 2.556 817 L HA 0.369 4.709 4.340 0.001 0.000 0.243 817 L C -2.300 174.328 176.870 -0.404 0.000 1.331 817 L CA -1.795 52.798 54.840 -0.412 0.000 0.927 817 L CB 0.960 42.739 42.059 -0.466 0.000 1.219 817 L HN -0.014 nan 8.230 nan 0.000 0.490 818 P HA 0.040 nan 4.420 nan 0.000 0.281 818 P C -0.010 177.151 177.300 -0.232 0.000 1.274 818 P CA -0.182 62.502 63.100 -0.693 0.000 0.794 818 P CB 1.155 32.631 31.700 -0.374 0.000 1.201 819 A N -1.268 121.575 122.820 0.038 0.000 2.958 819 A HA 0.618 4.938 4.320 0.001 0.000 0.214 819 A C 0.157 177.792 177.584 0.085 0.000 0.902 819 A CA 0.371 52.509 52.037 0.168 0.000 1.136 819 A CB -0.219 18.973 19.000 0.319 0.000 1.250 819 A HN 0.830 nan 8.150 nan 0.000 0.497 820 G N -0.525 108.303 108.800 0.047 0.000 2.344 820 G HA2 0.481 4.442 3.960 0.001 0.000 0.282 820 G HA3 0.481 4.442 3.960 0.001 0.000 0.282 820 G C -1.796 173.086 174.900 -0.030 0.000 1.281 820 G CA -0.532 44.467 45.100 -0.169 0.000 0.877 820 G HN 0.397 nan 8.290 nan 0.000 0.494 821 Q N -0.362 119.368 119.800 -0.117 0.000 2.379 821 Q HA 0.380 4.720 4.340 0.001 0.000 0.278 821 Q C -1.123 175.013 176.000 0.227 0.000 1.068 821 Q CA -1.032 54.782 55.803 0.018 0.000 0.816 821 Q CB 2.330 30.784 28.738 -0.474 0.000 1.387 821 Q HN 0.451 nan 8.270 nan 0.000 0.413 822 N N 1.272 120.127 118.700 0.258 0.000 2.448 822 N HA 0.257 4.997 4.740 0.001 0.000 0.250 822 N C -1.091 174.503 175.510 0.140 0.000 1.136 822 N CA 0.083 53.276 53.050 0.237 0.000 0.953 822 N CB 0.974 39.533 38.487 0.120 0.000 1.251 822 N HN 0.511 nan 8.380 nan 0.000 0.502 823 A N 2.928 125.873 122.820 0.209 0.000 2.309 823 A HA 0.346 4.666 4.320 0.001 0.000 0.298 823 A C 0.593 178.283 177.584 0.175 0.000 1.165 823 A CA -0.631 51.519 52.037 0.188 0.000 0.821 823 A CB 0.528 19.706 19.000 0.297 0.000 1.102 823 A HN 0.498 nan 8.150 nan 0.000 0.500 824 I N 4.246 124.894 120.570 0.130 0.000 2.501 824 I HA 0.020 4.191 4.170 0.001 0.000 0.305 824 I C 0.607 176.799 176.117 0.125 0.000 1.197 824 I CA 0.409 61.811 61.300 0.170 0.000 1.793 824 I CB -1.343 36.777 38.000 0.200 0.000 1.521 824 I HN 0.286 nan 8.210 nan 0.000 0.843 825 V N 4.593 124.591 119.914 0.139 0.000 3.432 825 V HA 0.415 4.535 4.120 0.001 0.000 0.304 825 V C 0.790 176.830 176.094 -0.091 0.000 1.107 825 V CA -0.231 62.116 62.300 0.080 0.000 1.153 825 V CB 1.410 33.378 31.823 0.242 0.000 1.072 825 V HN 0.820 nan 8.190 nan 0.000 0.485 826 A N 3.692 126.423 122.820 -0.149 0.000 2.771 826 A HA 0.459 4.780 4.320 0.001 0.000 0.301 826 A C -0.659 176.836 177.584 -0.149 0.000 1.194 826 A CA -0.578 51.281 52.037 -0.296 0.000 0.837 826 A CB 0.027 18.621 19.000 -0.677 0.000 1.438 826 A HN 0.639 nan 8.150 nan 0.000 0.436 827 I N 1.995 122.560 120.570 -0.008 0.000 2.792 827 I HA 0.266 4.437 4.170 0.001 0.000 0.284 827 I C 0.798 176.873 176.117 -0.070 0.000 1.166 827 I CA 1.298 62.602 61.300 0.006 0.000 1.375 827 I CB 0.221 38.272 38.000 0.086 0.000 1.421 827 I HN 0.784 nan 8.210 nan 0.000 0.544 828 A N 5.520 128.287 122.820 -0.087 0.000 2.544 828 A HA 0.500 4.820 4.320 0.001 0.000 0.291 828 A C -1.472 176.084 177.584 -0.048 0.000 1.055 828 A CA -0.583 51.396 52.037 -0.097 0.000 0.651 828 A CB 0.910 19.819 19.000 -0.152 0.000 1.296 828 A HN 0.553 nan 8.150 nan 0.000 0.431 829 C N 1.329 120.619 119.300 -0.016 0.000 2.255 829 C HA 0.721 5.181 4.460 0.001 0.000 0.326 829 C C 0.155 175.243 174.990 0.162 0.000 1.258 829 C CA 0.001 59.055 59.018 0.059 0.000 1.676 829 C CB -0.819 26.945 27.740 0.040 0.000 2.314 829 C HN 0.743 nan 8.230 nan 0.000 0.509 830 Y N 1.950 122.240 120.300 -0.017 0.000 3.214 830 Y HA 0.261 4.811 4.550 0.001 0.000 0.291 830 Y C 2.245 178.162 175.900 0.028 0.000 1.653 830 Y CA 0.391 58.462 58.100 -0.048 0.000 0.828 830 Y CB -0.428 37.967 38.460 -0.108 0.000 1.209 830 Y HN 0.579 nan 8.280 nan 0.000 0.715 831 S N 0.080 115.762 115.700 -0.030 0.000 2.380 831 S HA -0.068 4.403 4.470 0.001 0.000 0.229 831 S C 1.402 176.148 174.600 0.245 0.000 1.050 831 S CA 1.894 60.148 58.200 0.091 0.000 1.100 831 S CB -1.116 62.266 63.200 0.303 0.000 0.984 831 S HN 1.565 nan 8.310 nan 0.000 0.434 832 G N -1.281 107.727 108.800 0.347 0.000 2.363 832 G HA2 0.012 3.972 3.960 0.001 0.000 0.213 832 G HA3 0.012 3.972 3.960 0.001 0.000 0.213 832 G C 0.058 175.000 174.900 0.070 0.000 1.028 832 G CA 0.082 45.285 45.100 0.171 0.000 0.822 832 G HN 0.419 nan 8.290 nan 0.000 0.536 833 Y N 1.110 121.468 120.300 0.096 0.000 2.458 833 Y HA 0.176 4.726 4.550 0.001 0.000 0.254 833 Y C 2.106 178.039 175.900 0.055 0.000 1.120 833 Y CA 0.411 58.551 58.100 0.066 0.000 1.282 833 Y CB 0.301 38.800 38.460 0.065 0.000 1.109 833 Y HN 0.426 nan 8.280 nan 0.000 0.526 834 N N 0.199 119.017 118.700 0.197 0.000 2.398 834 N HA -0.044 4.697 4.740 0.001 0.000 0.188 834 N C 0.301 175.857 175.510 0.078 0.000 1.122 834 N CA 0.035 53.157 53.050 0.119 0.000 0.866 834 N CB -0.086 38.468 38.487 0.110 0.000 0.970 834 N HN 0.344 nan 8.380 nan 0.000 0.462 835 Q N 1.015 120.852 119.800 0.062 0.000 2.432 835 Q HA -0.008 4.332 4.340 0.001 0.000 0.264 835 Q C -0.287 175.720 176.000 0.012 0.000 1.035 835 Q CA 0.134 55.959 55.803 0.037 0.000 0.908 835 Q CB 0.398 29.132 28.738 -0.007 0.000 1.280 835 Q HN 0.158 nan 8.270 nan 0.000 0.455 836 E N 2.708 122.913 120.200 0.008 0.000 2.210 836 E HA -0.303 4.047 4.350 0.001 0.000 0.201 836 E C -1.088 175.514 176.600 0.004 0.000 1.339 836 E CA 1.292 57.688 56.400 -0.008 0.000 0.699 836 E CB -1.477 28.203 29.700 -0.033 0.000 1.126 836 E HN 0.875 nan 8.360 nan 0.000 0.355 837 D N -1.031 119.382 120.400 0.022 0.000 2.716 837 D HA -0.168 4.472 4.640 0.001 0.000 0.239 837 D C -0.663 175.651 176.300 0.024 0.000 1.125 837 D CA 1.491 55.507 54.000 0.027 0.000 0.681 837 D CB -0.820 39.995 40.800 0.024 0.000 1.070 837 D HN 0.487 nan 8.370 nan 0.000 0.432 838 S N -0.990 114.726 115.700 0.027 0.000 2.588 838 S HA 0.829 5.299 4.470 0.001 0.000 0.275 838 S C -0.294 174.326 174.600 0.033 0.000 1.130 838 S CA -1.239 56.976 58.200 0.026 0.000 0.855 838 S CB 2.399 65.612 63.200 0.022 0.000 1.116 838 S HN 0.289 nan 8.310 nan 0.000 0.472 839 M N 0.999 120.613 119.600 0.022 0.000 2.591 839 M HA 0.613 5.094 4.480 0.001 0.000 0.306 839 M C -1.522 174.791 176.300 0.022 0.000 1.190 839 M CA -0.791 54.509 55.300 -0.000 0.000 0.889 839 M CB 1.300 33.845 32.600 -0.090 0.000 1.728 839 M HN 0.659 nan 8.290 nan 0.000 0.458 840 I N 2.891 123.487 120.570 0.043 0.000 2.342 840 I HA 0.371 4.542 4.170 0.001 0.000 0.291 840 I C -0.457 175.669 176.117 0.015 0.000 1.010 840 I CA -0.262 61.092 61.300 0.089 0.000 1.308 840 I CB 1.503 39.633 38.000 0.218 0.000 1.400 840 I HN 0.744 nan 8.210 nan 0.000 0.488 841 M N 6.837 126.433 119.600 -0.007 0.000 2.243 841 M HA 0.301 4.781 4.480 0.001 0.000 0.324 841 M C -0.306 175.994 176.300 0.001 0.000 1.031 841 M CA -0.749 54.520 55.300 -0.051 0.000 0.949 841 M CB 1.291 33.827 32.600 -0.108 0.000 1.615 841 M HN 0.493 nan 8.290 nan 0.000 0.430 842 N N 3.730 122.433 118.700 0.006 0.000 2.417 842 N HA -0.109 4.632 4.740 0.001 0.000 0.272 842 N C 0.470 175.996 175.510 0.028 0.000 1.304 842 N CA 0.588 53.661 53.050 0.039 0.000 0.906 842 N CB 0.891 39.391 38.487 0.022 0.000 1.135 842 N HN 0.767 nan 8.380 nan 0.000 0.483 843 Q N 3.516 123.340 119.800 0.039 0.000 1.975 843 Q HA -0.146 4.194 4.340 0.001 0.000 0.205 843 Q C 1.373 177.386 176.000 0.021 0.000 0.990 843 Q CA 2.146 57.960 55.803 0.019 0.000 0.845 843 Q CB -0.719 28.028 28.738 0.016 0.000 0.913 843 Q HN 0.711 nan 8.270 nan 0.000 0.420 844 S N 0.498 116.218 115.700 0.034 0.000 2.435 844 S HA -0.309 4.161 4.470 0.001 0.000 0.250 844 S C 1.928 176.541 174.600 0.022 0.000 1.065 844 S CA 2.578 60.796 58.200 0.030 0.000 1.243 844 S CB -1.137 62.087 63.200 0.039 0.000 1.158 844 S HN 0.742 nan 8.310 nan 0.000 0.430 845 S N 1.629 117.343 115.700 0.024 0.000 2.423 845 S HA -0.115 4.355 4.470 0.001 0.000 0.238 845 S C 1.703 176.308 174.600 0.007 0.000 1.028 845 S CA 1.439 59.650 58.200 0.017 0.000 1.000 845 S CB -0.872 62.338 63.200 0.017 0.000 0.797 845 S HN 0.519 nan 8.310 nan 0.000 0.487 846 I N 2.100 122.676 120.570 0.010 0.000 2.394 846 I HA -0.156 4.014 4.170 0.001 0.000 0.251 846 I C 2.046 178.156 176.117 -0.011 0.000 1.136 846 I CA 1.377 62.681 61.300 0.006 0.000 1.425 846 I CB -0.470 37.536 38.000 0.009 0.000 1.079 846 I HN 0.251 nan 8.210 nan 0.000 0.425 847 D N 1.035 121.434 120.400 -0.002 0.000 2.097 847 D HA -0.106 4.534 4.640 0.001 0.000 0.197 847 D C 2.007 178.309 176.300 0.003 0.000 0.984 847 D CA 0.964 54.964 54.000 -0.001 0.000 0.826 847 D CB -0.277 40.528 40.800 0.008 0.000 0.973 847 D HN 0.300 nan 8.370 nan 0.000 0.460 848 R N 0.184 120.691 120.500 0.010 0.000 2.395 848 R HA 0.061 4.401 4.340 0.001 0.000 0.203 848 R C 1.072 177.376 176.300 0.007 0.000 1.076 848 R CA 0.686 56.801 56.100 0.024 0.000 1.059 848 R CB -0.140 30.180 30.300 0.034 0.000 0.860 848 R HN 0.213 nan 8.270 nan 0.000 0.476 849 G N 0.961 109.738 108.800 -0.037 0.000 2.134 849 G HA2 -0.222 3.738 3.960 0.001 0.000 0.209 849 G HA3 -0.222 3.738 3.960 0.001 0.000 0.209 849 G C -0.180 174.625 174.900 -0.158 0.000 0.993 849 G CA -0.413 44.614 45.100 -0.123 0.000 0.669 849 G HN 0.226 nan 8.290 nan 0.000 0.519 850 L N 0.438 121.611 121.223 -0.083 0.000 2.455 850 L HA 0.646 4.987 4.340 0.001 0.000 0.272 850 L C 1.323 178.183 176.870 -0.017 0.000 1.174 850 L CA 0.258 55.041 54.840 -0.096 0.000 0.869 850 L CB -0.855 41.186 42.059 -0.030 0.000 1.130 850 L HN 0.610 nan 8.230 nan 0.000 0.474 851 F N 2.298 122.208 119.950 -0.068 0.000 3.100 851 F HA -0.315 4.213 4.527 0.001 0.000 0.283 851 F C 1.152 176.902 175.800 -0.082 0.000 0.841 851 F CA 0.822 58.804 58.000 -0.030 0.000 1.026 851 F CB -0.836 38.169 39.000 0.009 0.000 1.209 851 F HN 0.593 nan 8.300 nan 0.000 0.487 852 R N 0.714 121.148 120.500 -0.111 0.000 2.543 852 R HA 0.446 4.787 4.340 0.001 0.000 0.277 852 R C 0.614 176.659 176.300 -0.424 0.000 1.074 852 R CA 0.646 56.513 56.100 -0.388 0.000 1.076 852 R CB 1.229 31.071 30.300 -0.763 0.000 0.993 852 R HN 0.280 nan 8.270 nan 0.000 0.459 853 S N 2.550 118.011 115.700 -0.398 0.000 2.811 853 S HA 0.619 5.089 4.470 0.001 0.000 0.311 853 S C -0.500 174.056 174.600 -0.074 0.000 1.152 853 S CA -0.980 57.139 58.200 -0.134 0.000 0.864 853 S CB 1.312 64.504 63.200 -0.013 0.000 1.226 853 S HN 0.368 nan 8.310 nan 0.000 0.541 854 L N 0.491 121.798 121.223 0.140 0.000 2.303 854 L HA 0.744 5.084 4.340 0.001 0.000 0.266 854 L C -1.544 175.493 176.870 0.278 0.000 1.011 854 L CA -0.832 54.139 54.840 0.217 0.000 0.818 854 L CB 1.906 44.184 42.059 0.365 0.000 1.326 854 L HN 0.792 nan 8.230 nan 0.000 0.435 855 F N 1.654 121.591 119.950 -0.020 0.000 2.787 855 F HA 0.515 5.043 4.527 0.001 0.000 0.340 855 F C -1.490 174.249 175.800 -0.101 0.000 1.232 855 F CA -0.965 57.038 58.000 0.004 0.000 1.051 855 F CB 0.915 39.880 39.000 -0.058 0.000 1.330 855 F HN 0.034 nan 8.300 nan 0.000 0.522 856 F N 4.943 124.665 119.950 -0.380 0.000 2.483 856 F HA 0.777 5.305 4.527 0.001 0.000 0.329 856 F C 0.072 175.466 175.800 -0.676 0.000 1.064 856 F CA -0.796 56.952 58.000 -0.421 0.000 0.986 856 F CB 1.838 40.754 39.000 -0.140 0.000 1.218 856 F HN 0.475 nan 8.300 nan 0.000 0.484 857 R N 0.086 120.394 120.500 -0.320 0.000 2.643 857 R HA 0.658 4.999 4.340 0.001 0.000 0.269 857 R C -1.983 174.208 176.300 -0.182 0.000 1.037 857 R CA -0.564 55.330 56.100 -0.343 0.000 0.894 857 R CB 2.043 32.047 30.300 -0.494 0.000 1.238 857 R HN 0.717 nan 8.270 nan 0.000 0.459 858 S N 2.515 118.083 115.700 -0.220 0.000 2.733 858 S HA 0.424 4.894 4.470 0.001 0.000 0.294 858 S C -1.311 173.179 174.600 -0.182 0.000 1.149 858 S CA -0.650 57.489 58.200 -0.102 0.000 1.034 858 S CB 0.680 63.861 63.200 -0.032 0.000 1.015 858 S HN 0.394 nan 8.310 nan 0.000 0.486 859 Y N 2.190 122.448 120.300 -0.069 0.000 2.334 859 Y HA 0.693 5.244 4.550 0.000 0.000 0.325 859 Y C 0.541 176.388 175.900 -0.089 0.000 1.308 859 Y CA -1.014 57.047 58.100 -0.065 0.000 1.389 859 Y CB 0.683 39.100 38.460 -0.070 0.000 1.328 859 Y HN 0.489 nan 8.280 nan 0.000 0.532 860 M N 1.466 121.115 119.600 0.082 0.000 2.520 860 M HA 0.367 4.848 4.480 0.001 0.000 0.280 860 M C -2.505 173.805 176.300 0.017 0.000 1.232 860 M CA -0.340 54.941 55.300 -0.032 0.000 0.892 860 M CB 2.792 35.358 32.600 -0.056 0.000 1.728 860 M HN 0.861 nan 8.290 nan 0.000 0.475 861 D N 1.317 121.707 120.400 -0.017 0.000 2.653 861 D HA 0.507 5.147 4.640 0.001 0.000 0.258 861 D C -1.875 174.569 176.300 0.240 0.000 1.252 861 D CA 0.083 54.166 54.000 0.138 0.000 0.777 861 D CB 2.244 43.166 40.800 0.203 0.000 1.339 861 D HN 0.745 nan 8.370 nan 0.000 0.422 862 Q N 0.130 120.103 119.800 0.289 0.000 2.553 862 Q HA 0.410 4.750 4.340 0.001 0.000 0.293 862 Q C -1.007 175.033 176.000 0.067 0.000 1.038 862 Q CA -0.823 55.153 55.803 0.289 0.000 0.777 862 Q CB 2.446 31.357 28.738 0.288 0.000 1.487 862 Q HN 0.201 nan 8.270 nan 0.000 0.426 863 E N 1.608 121.776 120.200 -0.053 0.000 2.042 863 E HA 0.179 4.529 4.350 0.001 0.000 0.260 863 E C -1.044 175.491 176.600 -0.107 0.000 0.975 863 E CA -0.287 55.990 56.400 -0.205 0.000 0.799 863 E CB 0.754 30.268 29.700 -0.310 0.000 1.131 863 E HN 0.167 nan 8.360 nan 0.000 0.423 864 K N 2.168 122.512 120.400 -0.093 0.000 2.469 864 K HA 0.081 4.401 4.320 0.001 0.000 0.274 864 K C 0.278 176.721 176.600 -0.262 0.000 0.983 864 K CA 0.311 56.493 56.287 -0.175 0.000 0.974 864 K CB 0.578 32.981 32.500 -0.162 0.000 0.913 864 K HN 0.086 nan 8.250 nan 0.000 0.493 865 K N 1.644 121.782 120.400 -0.437 0.000 2.395 865 K HA 0.425 4.745 4.320 0.001 0.000 0.245 865 K C -1.476 174.690 176.600 -0.724 0.000 1.017 865 K CA -0.888 55.184 56.287 -0.358 0.000 0.852 865 K CB 1.454 33.867 32.500 -0.145 0.000 1.311 865 K HN 0.436 nan 8.250 nan 0.000 0.452 866 Y N -0.975 119.326 120.300 0.002 0.000 2.315 866 Y HA 0.194 4.744 4.550 0.000 0.000 0.324 866 Y C 1.281 177.186 175.900 0.008 0.000 1.062 866 Y CA -0.688 57.416 58.100 0.007 0.000 1.159 866 Y CB 1.760 40.223 38.460 0.005 0.000 1.145 866 Y HN 0.852 nan 8.280 nan 0.000 0.442 867 G N 2.314 111.174 108.800 0.099 0.000 2.785 867 G HA2 -0.357 3.603 3.960 0.001 0.000 0.225 867 G HA3 -0.357 3.603 3.960 0.001 0.000 0.225 867 G C 1.097 176.043 174.900 0.077 0.000 1.093 867 G CA 1.072 46.214 45.100 0.070 0.000 0.740 867 G HN 0.653 nan 8.290 nan 0.000 0.629 868 M N 1.625 121.286 119.600 0.102 0.000 3.092 868 M HA 0.320 4.800 4.480 0.001 0.000 0.228 868 M C 0.450 176.794 176.300 0.074 0.000 1.301 868 M CA -0.183 55.161 55.300 0.072 0.000 1.216 868 M CB -0.262 32.373 32.600 0.058 0.000 1.356 868 M HN 0.064 nan 8.290 nan 0.000 0.463 869 S N 1.420 117.169 115.700 0.082 0.000 3.272 869 S HA -0.156 4.314 4.470 0.001 0.000 0.355 869 S C -0.419 174.231 174.600 0.082 0.000 0.875 869 S CA 0.608 58.852 58.200 0.075 0.000 1.357 869 S CB -1.243 61.984 63.200 0.045 0.000 1.069 869 S HN 0.626 nan 8.310 nan 0.000 0.561 870 I N 2.171 122.831 120.570 0.150 0.000 2.534 870 I HA 0.298 4.468 4.170 0.001 0.000 0.286 870 I C 0.102 176.377 176.117 0.263 0.000 1.094 870 I CA -0.376 61.006 61.300 0.136 0.000 1.055 870 I CB 2.327 40.328 38.000 0.002 0.000 1.225 870 I HN 0.268 nan 8.210 nan 0.000 0.435 871 T N 3.939 118.575 114.554 0.137 0.000 2.930 871 T HA 0.451 4.802 4.350 0.001 0.000 0.290 871 T C -0.480 174.259 174.700 0.065 0.000 1.052 871 T CA -0.818 61.347 62.100 0.108 0.000 1.017 871 T CB 2.150 71.038 68.868 0.032 0.000 1.137 871 T HN 0.411 nan 8.240 nan 0.000 0.511 872 E N 0.675 120.882 120.200 0.013 0.000 2.242 872 E HA 0.589 4.939 4.350 0.001 0.000 0.275 872 E C -0.659 175.850 176.600 -0.151 0.000 1.002 872 E CA -0.657 55.715 56.400 -0.047 0.000 0.841 872 E CB 1.356 31.014 29.700 -0.069 0.000 1.109 872 E HN 0.425 nan 8.360 nan 0.000 0.394 873 T N 1.443 115.919 114.554 -0.129 0.000 2.907 873 T HA 0.346 4.697 4.350 0.001 0.000 0.292 873 T C -0.642 174.024 174.700 -0.055 0.000 1.043 873 T CA -0.631 61.391 62.100 -0.130 0.000 1.003 873 T CB 0.563 69.418 68.868 -0.020 0.000 1.084 873 T HN 0.297 nan 8.240 nan 0.000 0.483 874 F N 3.047 123.020 119.950 0.038 0.000 2.499 874 F HA 0.283 4.811 4.527 0.000 0.000 0.353 874 F C 1.225 177.044 175.800 0.032 0.000 1.196 874 F CA -0.697 57.324 58.000 0.034 0.000 1.244 874 F CB 0.204 39.219 39.000 0.026 0.000 1.577 874 F HN 0.585 nan 8.300 nan 0.000 0.614 875 E N 1.223 121.555 120.200 0.220 0.000 2.449 875 E HA 0.369 4.719 4.350 0.001 0.000 0.254 875 E C -1.010 175.666 176.600 0.127 0.000 0.907 875 E CA -1.306 55.176 56.400 0.136 0.000 0.840 875 E CB 1.520 31.273 29.700 0.089 0.000 1.459 875 E HN 0.174 nan 8.360 nan 0.000 0.407 876 K N 1.819 122.274 120.400 0.091 0.000 2.459 876 K HA 0.284 4.605 4.320 0.001 0.000 0.218 876 K C -2.145 174.475 176.600 0.033 0.000 1.067 876 K CA -1.991 54.355 56.287 0.099 0.000 1.045 876 K CB 0.478 33.028 32.500 0.083 0.000 1.623 876 K HN 0.357 nan 8.250 nan 0.000 0.509 877 P HA -0.049 nan 4.420 nan 0.000 0.273 877 P C -1.341 175.851 177.300 -0.179 0.000 1.258 877 P CA 0.050 63.103 63.100 -0.080 0.000 0.802 877 P CB 0.472 32.128 31.700 -0.074 0.000 1.040 878 Q N -1.838 117.865 119.800 -0.162 0.000 2.960 878 Q HA 0.334 4.675 4.340 0.001 0.000 0.206 878 Q C -0.278 175.654 176.000 -0.113 0.000 0.959 878 Q CA -0.866 54.834 55.803 -0.172 0.000 1.181 878 Q CB 0.484 29.145 28.738 -0.129 0.000 1.778 878 Q HN 0.266 nan 8.270 nan 0.000 0.567 879 R N 0.507 120.938 120.500 -0.115 0.000 3.502 879 R HA -0.199 4.141 4.340 0.001 0.000 0.593 879 R C -0.400 175.863 176.300 -0.061 0.000 0.241 879 R CA 1.675 57.728 56.100 -0.078 0.000 1.832 879 R CB -2.229 28.034 30.300 -0.061 0.000 0.869 879 R HN 1.534 nan 8.270 nan 0.000 0.620 880 T N 1.138 115.665 114.554 -0.045 0.000 3.530 880 T HA -0.154 4.197 4.350 0.001 0.000 0.410 880 T C 0.593 175.274 174.700 -0.032 0.000 0.765 880 T CA 1.021 63.100 62.100 -0.035 0.000 2.161 880 T CB -0.866 67.982 68.868 -0.033 0.000 1.725 880 T HN 0.632 nan 8.240 nan 0.000 0.748 881 N N -0.861 117.822 118.700 -0.028 0.000 3.677 881 N HA -0.234 4.506 4.740 0.001 0.000 0.233 881 N C 1.492 176.986 175.510 -0.027 0.000 0.197 881 N CA 2.240 55.276 53.050 -0.025 0.000 3.540 881 N CB -1.779 36.695 38.487 -0.022 0.000 1.234 881 N HN 0.563 nan 8.380 nan 0.000 0.250 882 T N 2.395 116.931 114.554 -0.029 0.000 2.580 882 T HA -0.007 4.344 4.350 0.001 0.000 0.265 882 T C 1.647 176.327 174.700 -0.034 0.000 1.063 882 T CA 2.625 64.708 62.100 -0.028 0.000 1.170 882 T CB -0.156 68.696 68.868 -0.026 0.000 0.863 882 T HN 0.495 nan 8.240 nan 0.000 0.418 883 L N -2.492 118.703 121.223 -0.046 0.000 4.029 883 L HA -0.176 4.164 4.340 0.001 0.000 0.394 883 L C 0.500 177.334 176.870 -0.059 0.000 0.733 883 L CA 0.523 55.329 54.840 -0.057 0.000 2.638 883 L CB -1.312 40.719 42.059 -0.046 0.000 1.037 883 L HN 0.163 nan 8.230 nan 0.000 0.655 884 R N 1.942 122.418 120.500 -0.040 0.000 2.808 884 R HA 0.230 4.570 4.340 0.001 0.000 0.248 884 R C 0.286 176.571 176.300 -0.025 0.000 1.539 884 R CA 0.747 56.831 56.100 -0.027 0.000 1.071 884 R CB -0.231 30.062 30.300 -0.010 0.000 1.172 884 R HN 0.448 nan 8.270 nan 0.000 0.579 885 M N 0.604 120.179 119.600 -0.042 0.000 2.385 885 M HA 0.437 4.917 4.480 0.001 0.000 0.241 885 M C 0.193 176.522 176.300 0.048 0.000 0.892 885 M CA -0.718 54.568 55.300 -0.024 0.000 1.530 885 M CB 0.708 33.216 32.600 -0.153 0.000 1.325 885 M HN -0.028 nan 8.290 nan 0.000 0.803 886 K N -0.372 120.120 120.400 0.155 0.000 2.349 886 K HA 0.383 4.703 4.320 0.001 0.000 0.243 886 K C 0.704 177.366 176.600 0.104 0.000 1.058 886 K CA -0.616 55.772 56.287 0.170 0.000 0.871 886 K CB 0.687 33.339 32.500 0.253 0.000 1.337 886 K HN 0.525 nan 8.250 nan 0.000 0.469 887 H N 0.045 119.190 119.070 0.125 0.000 2.399 887 H HA 0.077 4.633 4.556 0.001 0.000 0.300 887 H C 0.963 176.346 175.328 0.092 0.000 1.048 887 H CA 1.031 57.131 56.048 0.088 0.000 1.370 887 H CB 0.204 29.994 29.762 0.045 0.000 1.428 887 H HN 0.723 nan 8.280 nan 0.000 0.534 888 G N 0.538 109.444 108.800 0.178 0.000 2.785 888 G HA2 -0.030 3.931 3.960 0.001 0.000 0.256 888 G HA3 -0.030 3.931 3.960 0.001 0.000 0.256 888 G C -0.294 174.666 174.900 0.100 0.000 1.248 888 G CA -0.118 45.021 45.100 0.065 0.000 0.914 888 G HN 0.192 nan 8.290 nan 0.000 0.580 889 T N 0.647 115.223 114.554 0.035 0.000 2.728 889 T HA 0.222 4.573 4.350 0.001 0.000 0.296 889 T C 0.248 174.982 174.700 0.057 0.000 0.940 889 T CA -0.055 62.097 62.100 0.086 0.000 1.013 889 T CB 0.806 69.699 68.868 0.041 0.000 0.912 889 T HN 0.390 nan 8.240 nan 0.000 0.484 890 Y N 0.985 121.277 120.300 -0.013 0.000 2.546 890 Y HA 0.026 4.576 4.550 0.000 0.000 0.287 890 Y C 2.033 177.922 175.900 -0.019 0.000 1.158 890 Y CA -0.108 57.981 58.100 -0.018 0.000 1.307 890 Y CB -0.123 38.329 38.460 -0.013 0.000 1.036 890 Y HN 0.642 nan 8.280 nan 0.000 0.532 891 D N 0.214 120.687 120.400 0.122 0.000 2.351 891 D HA -0.139 4.502 4.640 0.001 0.000 0.216 891 D C 1.122 177.437 176.300 0.024 0.000 0.968 891 D CA 0.982 55.019 54.000 0.062 0.000 0.899 891 D CB 0.012 40.839 40.800 0.044 0.000 0.907 891 D HN 0.394 nan 8.370 nan 0.000 0.514 892 K N 0.147 120.547 120.400 -0.000 0.000 2.437 892 K HA 0.192 4.512 4.320 0.001 0.000 0.198 892 K C 0.313 176.891 176.600 -0.037 0.000 1.024 892 K CA -0.066 56.204 56.287 -0.029 0.000 1.148 892 K CB 0.615 33.082 32.500 -0.055 0.000 0.860 892 K HN 0.036 nan 8.250 nan 0.000 0.515 893 L N 1.213 122.429 121.223 -0.011 0.000 2.296 893 L HA 0.204 4.545 4.340 0.001 0.000 0.286 893 L C 0.058 176.930 176.870 0.003 0.000 1.023 893 L CA -0.680 54.153 54.840 -0.012 0.000 0.812 893 L CB 1.395 43.466 42.059 0.020 0.000 1.223 893 L HN 0.013 nan 8.230 nan 0.000 0.421 894 D N 0.901 121.293 120.400 -0.013 0.000 2.289 894 D HA -0.013 4.627 4.640 0.001 0.000 0.266 894 D C 0.508 176.813 176.300 0.009 0.000 1.243 894 D CA 0.139 54.137 54.000 -0.005 0.000 1.019 894 D CB 0.647 41.438 40.800 -0.016 0.000 1.126 894 D HN 0.492 nan 8.370 nan 0.000 0.541 895 D N -1.392 119.015 120.400 0.013 0.000 2.271 895 D HA -0.028 4.612 4.640 0.001 0.000 0.206 895 D C 0.902 177.223 176.300 0.036 0.000 0.967 895 D CA 0.557 54.573 54.000 0.027 0.000 0.867 895 D CB -0.098 40.717 40.800 0.025 0.000 0.960 895 D HN 0.426 nan 8.370 nan 0.000 0.509 896 D N -0.580 119.833 120.400 0.021 0.000 2.378 896 D HA 0.028 4.668 4.640 0.001 0.000 0.222 896 D C 1.431 177.739 176.300 0.015 0.000 0.980 896 D CA 0.840 54.857 54.000 0.028 0.000 0.907 896 D CB -0.296 40.503 40.800 -0.002 0.000 0.899 896 D HN 0.162 nan 8.370 nan 0.000 0.527 897 G N -0.544 108.259 108.800 0.005 0.000 2.132 897 G HA2 -0.217 3.744 3.960 0.001 0.000 0.228 897 G HA3 -0.217 3.744 3.960 0.001 0.000 0.228 897 G C -0.148 174.687 174.900 -0.108 0.000 1.000 897 G CA 0.268 45.365 45.100 -0.004 0.000 0.693 897 G HN 0.401 nan 8.290 nan 0.000 0.515 898 L N -0.580 120.572 121.223 -0.118 0.000 2.333 898 L HA 0.713 5.054 4.340 0.001 0.000 0.263 898 L C 0.584 177.390 176.870 -0.107 0.000 1.014 898 L CA -1.507 53.241 54.840 -0.153 0.000 0.820 898 L CB 1.872 43.823 42.059 -0.180 0.000 1.352 898 L HN -0.011 nan 8.230 nan 0.000 0.421 899 I N 1.248 121.749 120.570 -0.116 0.000 2.396 899 I HA 0.394 4.564 4.170 0.001 0.000 0.292 899 I C 0.531 176.604 176.117 -0.073 0.000 0.999 899 I CA -0.396 60.849 61.300 -0.091 0.000 1.310 899 I CB 1.668 39.604 38.000 -0.107 0.000 1.404 899 I HN 0.643 nan 8.210 nan 0.000 0.496 900 A N 7.365 130.153 122.820 -0.054 0.000 2.440 900 A HA 0.332 4.652 4.320 0.001 0.000 0.251 900 A C -1.558 176.003 177.584 -0.038 0.000 1.089 900 A CA -1.199 50.813 52.037 -0.041 0.000 0.779 900 A CB -0.063 18.920 19.000 -0.030 0.000 1.022 900 A HN 0.583 nan 8.150 nan 0.000 0.492 901 P HA -0.245 nan 4.420 nan 0.000 0.219 901 P C 1.551 178.840 177.300 -0.019 0.000 1.151 901 P CA 2.282 65.370 63.100 -0.021 0.000 0.850 901 P CB 0.198 31.893 31.700 -0.008 0.000 0.784 902 G N -1.363 107.426 108.800 -0.019 0.000 2.464 902 G HA2 -0.051 3.909 3.960 0.001 0.000 0.217 902 G HA3 -0.051 3.909 3.960 0.001 0.000 0.217 902 G C 0.451 175.337 174.900 -0.023 0.000 1.138 902 G CA -0.029 45.061 45.100 -0.017 0.000 0.793 902 G HN 0.162 nan 8.290 nan 0.000 0.539 903 V N 0.173 120.069 119.914 -0.030 0.000 3.061 903 V HA 0.056 4.176 4.120 0.001 0.000 0.306 903 V C 0.792 176.863 176.094 -0.038 0.000 1.118 903 V CA 0.244 62.523 62.300 -0.035 0.000 1.231 903 V CB 0.832 32.628 31.823 -0.045 0.000 0.956 903 V HN 0.342 nan 8.190 nan 0.000 0.499 904 R N 2.643 123.122 120.500 -0.036 0.000 2.287 904 R HA 0.513 4.854 4.340 0.001 0.000 0.316 904 R C -0.638 175.636 176.300 -0.043 0.000 1.050 904 R CA -0.454 55.624 56.100 -0.036 0.000 0.983 904 R CB 1.047 31.331 30.300 -0.026 0.000 1.140 904 R HN 0.740 nan 8.270 nan 0.000 0.528 905 V N 1.309 121.190 119.914 -0.055 0.000 2.904 905 V HA 0.630 4.750 4.120 0.001 0.000 0.305 905 V C 0.367 176.431 176.094 -0.051 0.000 1.067 905 V CA 0.129 62.389 62.300 -0.067 0.000 1.044 905 V CB 1.705 33.468 31.823 -0.100 0.000 1.050 905 V HN 0.874 nan 8.190 nan 0.000 0.475 906 S N 2.028 117.699 115.700 -0.048 0.000 4.406 906 S HA 0.465 4.935 4.470 0.001 0.000 0.160 906 S C 1.487 176.071 174.600 -0.027 0.000 0.981 906 S CA 0.293 58.475 58.200 -0.031 0.000 1.170 906 S CB -0.155 63.031 63.200 -0.023 0.000 1.909 906 S HN 1.347 nan 8.310 nan 0.000 0.836 907 G N 1.331 110.116 108.800 -0.025 0.000 2.700 907 G HA2 0.016 3.976 3.960 0.001 0.000 0.179 907 G HA3 0.016 3.976 3.960 0.001 0.000 0.179 907 G C 0.556 175.439 174.900 -0.028 0.000 1.497 907 G CA 0.977 46.064 45.100 -0.021 0.000 0.839 907 G HN 0.661 nan 8.290 nan 0.000 0.540 908 E N 0.730 120.910 120.200 -0.033 0.000 2.583 908 E HA 0.136 4.487 4.350 0.001 0.000 0.213 908 E C -0.687 175.863 176.600 -0.084 0.000 0.989 908 E CA -0.275 56.100 56.400 -0.042 0.000 0.991 908 E CB 0.355 30.047 29.700 -0.013 0.000 1.040 908 E HN 0.494 nan 8.360 nan 0.000 0.481 909 D N 1.103 121.447 120.400 -0.092 0.000 2.694 909 D HA -0.114 4.526 4.640 0.001 0.000 0.223 909 D C 0.173 176.333 176.300 -0.233 0.000 1.158 909 D CA 0.325 54.242 54.000 -0.139 0.000 0.859 909 D CB 0.548 41.280 40.800 -0.115 0.000 1.210 909 D HN -0.206 nan 8.370 nan 0.000 0.506 910 V N 1.942 121.641 119.914 -0.357 0.000 2.924 910 V HA 0.064 4.185 4.120 0.001 0.000 0.305 910 V C 1.420 177.313 176.094 -0.336 0.000 1.073 910 V CA 0.113 62.142 62.300 -0.452 0.000 1.098 910 V CB 1.008 32.321 31.823 -0.849 0.000 1.000 910 V HN 0.553 nan 8.190 nan 0.000 0.484 911 I N 2.571 122.946 120.570 -0.326 0.000 4.456 911 I HA 0.346 4.517 4.170 0.001 0.000 0.329 911 I C 0.079 176.050 176.117 -0.245 0.000 1.313 911 I CA 0.532 61.649 61.300 -0.305 0.000 1.205 911 I CB 0.628 38.358 38.000 -0.450 0.000 1.179 911 I HN 0.375 nan 8.210 nan 0.000 0.419 912 I N 0.370 120.813 120.570 -0.213 0.000 2.656 912 I HA 0.394 4.564 4.170 0.001 0.000 0.292 912 I C -0.379 175.711 176.117 -0.046 0.000 1.144 912 I CA -0.617 60.593 61.300 -0.150 0.000 1.038 912 I CB 2.359 40.285 38.000 -0.123 0.000 1.244 912 I HN -0.092 nan 8.210 nan 0.000 0.420 913 G N 5.188 114.003 108.800 0.025 0.000 2.603 913 G HA2 0.488 4.448 3.960 0.001 0.000 0.324 913 G HA3 0.488 4.448 3.960 0.001 0.000 0.324 913 G C -0.967 174.119 174.900 0.310 0.000 1.178 913 G CA -0.345 44.856 45.100 0.170 0.000 1.023 913 G HN 0.536 nan 8.290 nan 0.000 0.482 914 K N 1.440 122.016 120.400 0.294 0.000 2.375 914 K HA 0.759 5.080 4.320 0.001 0.000 0.249 914 K C -0.532 176.156 176.600 0.148 0.000 0.942 914 K CA -0.591 55.867 56.287 0.285 0.000 0.806 914 K CB 2.033 34.708 32.500 0.292 0.000 1.227 914 K HN 0.509 nan 8.250 nan 0.000 0.430 915 T N -0.936 113.664 114.554 0.076 0.000 2.906 915 T HA 0.479 4.829 4.350 0.001 0.000 0.295 915 T C -0.743 173.972 174.700 0.025 0.000 1.061 915 T CA -0.754 61.376 62.100 0.049 0.000 1.000 915 T CB 1.779 70.669 68.868 0.038 0.000 1.103 915 T HN 0.367 nan 8.240 nan 0.000 0.486 916 T N 3.828 118.397 114.554 0.025 0.000 2.841 916 T HA 0.601 4.951 4.350 0.001 0.000 0.285 916 T C -2.852 171.846 174.700 -0.004 0.000 0.991 916 T CA -1.199 60.913 62.100 0.020 0.000 0.966 916 T CB 1.759 70.646 68.868 0.031 0.000 0.962 916 T HN 0.554 nan 8.240 nan 0.000 0.438 917 P HA 0.566 nan 4.420 nan 0.000 0.297 917 P C -1.056 176.205 177.300 -0.065 0.000 1.342 917 P CA -0.436 62.645 63.100 -0.033 0.000 0.801 917 P CB 0.774 32.459 31.700 -0.026 0.000 0.920 918 I N 2.589 123.126 120.570 -0.054 0.000 2.534 918 I HA 0.259 4.430 4.170 0.001 0.000 0.288 918 I C 0.442 176.529 176.117 -0.048 0.000 1.077 918 I CA -0.410 60.850 61.300 -0.067 0.000 1.051 918 I CB 2.450 40.414 38.000 -0.060 0.000 1.234 918 I HN 0.366 nan 8.210 nan 0.000 0.425 934 K N 3.013 123.401 120.400 -0.020 0.000 2.229 934 K HA 0.368 4.688 4.320 0.001 0.000 0.247 934 K C -0.691 175.899 176.600 -0.017 0.000 1.117 934 K CA -0.204 56.071 56.287 -0.020 0.000 1.036 934 K CB 0.558 33.040 32.500 -0.030 0.000 1.654 934 K HN 0.348 nan 8.250 nan 0.000 0.405 935 R N 1.700 122.196 120.500 -0.006 0.000 2.254 935 R HA 0.157 4.497 4.340 0.001 0.000 0.318 935 R C -0.044 176.269 176.300 0.022 0.000 1.031 935 R CA -0.724 55.378 56.100 0.003 0.000 0.905 935 R CB 1.085 31.387 30.300 0.005 0.000 1.050 935 R HN 0.436 nan 8.270 nan 0.000 0.456 936 D N 1.712 122.130 120.400 0.031 0.000 2.357 936 D HA 0.203 4.843 4.640 0.001 0.000 0.242 936 D C -0.194 176.155 176.300 0.082 0.000 1.153 936 D CA 0.099 54.141 54.000 0.069 0.000 0.918 936 D CB 1.277 42.130 40.800 0.089 0.000 1.181 936 D HN 0.646 nan 8.370 nan 0.000 0.435 937 A N 1.638 124.524 122.820 0.109 0.000 2.536 937 A HA 0.175 4.496 4.320 0.001 0.000 0.220 937 A C -0.114 177.546 177.584 0.126 0.000 0.949 937 A CA -0.408 51.693 52.037 0.106 0.000 1.224 937 A CB -0.129 18.928 19.000 0.096 0.000 1.202 937 A HN 0.297 nan 8.150 nan 0.000 0.448 938 S N 1.424 117.205 115.700 0.135 0.000 2.580 938 S HA 0.456 4.926 4.470 0.001 0.000 0.274 938 S C 0.393 175.010 174.600 0.027 0.000 1.329 938 S CA 0.163 58.423 58.200 0.099 0.000 1.036 938 S CB 0.810 64.087 63.200 0.128 0.000 0.919 938 S HN 0.479 nan 8.310 nan 0.000 0.515 939 T N 4.544 119.082 114.554 -0.027 0.000 2.738 939 T HA 0.406 4.756 4.350 0.001 0.000 0.298 939 T C -2.459 172.141 174.700 -0.167 0.000 0.962 939 T CA -1.400 60.667 62.100 -0.056 0.000 0.972 939 T CB 0.761 69.603 68.868 -0.044 0.000 0.928 939 T HN 0.371 nan 8.240 nan 0.000 0.474 940 P HA 0.352 nan 4.420 nan 0.000 0.284 940 P C -0.389 176.796 177.300 -0.191 0.000 1.258 940 P CA -0.934 62.065 63.100 -0.169 0.000 0.824 940 P CB 1.130 32.782 31.700 -0.079 0.000 1.038 941 L N 3.227 124.311 121.223 -0.232 0.000 2.453 941 L HA 0.136 4.477 4.340 0.001 0.000 0.272 941 L C 0.946 177.830 176.870 0.023 0.000 1.182 941 L CA 0.065 54.787 54.840 -0.198 0.000 0.858 941 L CB -0.254 41.705 42.059 -0.168 0.000 1.120 941 L HN 0.293 nan 8.230 nan 0.000 0.474 942 R N 3.502 124.121 120.500 0.198 0.000 2.723 942 R HA -0.084 4.256 4.340 0.001 0.000 0.358 942 R C 1.596 177.937 176.300 0.069 0.000 0.966 942 R CA 0.691 56.878 56.100 0.145 0.000 1.022 942 R CB -0.208 30.186 30.300 0.157 0.000 0.945 942 R HN 1.031 nan 8.270 nan 0.000 0.420 943 S N 1.487 117.209 115.700 0.035 0.000 2.511 943 S HA -0.352 4.118 4.470 0.001 0.000 0.282 943 S C 1.864 176.470 174.600 0.011 0.000 1.179 943 S CA 2.472 60.679 58.200 0.012 0.000 1.125 943 S CB -0.725 62.477 63.200 0.003 0.000 1.035 943 S HN 0.763 nan 8.310 nan 0.000 0.452 944 T N -0.719 113.844 114.554 0.016 0.000 2.852 944 T HA 0.186 4.536 4.350 0.001 0.000 0.256 944 T C 0.908 175.623 174.700 0.025 0.000 1.038 944 T CA 0.507 62.614 62.100 0.012 0.000 1.141 944 T CB -0.544 68.324 68.868 -0.001 0.000 0.869 944 T HN 0.607 nan 8.240 nan 0.000 0.439 945 E N 2.507 122.739 120.200 0.053 0.000 2.451 945 E HA 0.351 4.702 4.350 0.001 0.000 0.256 945 E C -0.021 176.611 176.600 0.053 0.000 1.294 945 E CA 0.058 56.506 56.400 0.080 0.000 1.005 945 E CB 0.185 29.971 29.700 0.143 0.000 0.990 945 E HN 0.696 nan 8.360 nan 0.000 0.505 946 N N -1.092 117.641 118.700 0.055 0.000 4.454 946 N HA 0.299 5.039 4.740 0.001 0.000 0.201 946 N C -0.667 174.851 175.510 0.013 0.000 1.131 946 N CA 0.088 53.150 53.050 0.020 0.000 0.964 946 N CB 0.726 39.216 38.487 0.005 0.000 1.579 946 N HN 0.589 nan 8.380 nan 0.000 0.573 947 G N 0.442 109.235 108.800 -0.012 0.000 2.609 947 G HA2 0.380 4.340 3.960 0.001 0.000 0.082 947 G HA3 0.380 4.340 3.960 0.001 0.000 0.082 947 G C -1.721 173.153 174.900 -0.043 0.000 1.075 947 G CA -0.228 44.856 45.100 -0.027 0.000 1.172 947 G HN 0.660 nan 8.290 nan 0.000 0.532 948 I N 0.733 121.266 120.570 -0.062 0.000 2.686 948 I HA 0.480 4.650 4.170 0.001 0.000 0.295 948 I C 0.223 176.299 176.117 -0.068 0.000 1.114 948 I CA -1.127 60.138 61.300 -0.059 0.000 1.038 948 I CB 2.404 40.373 38.000 -0.052 0.000 1.238 948 I HN 0.292 nan 8.210 nan 0.000 0.420 949 V N 3.012 122.892 119.914 -0.057 0.000 3.139 949 V HA -0.025 4.095 4.120 0.001 0.000 0.307 949 V C 0.391 176.465 176.094 -0.034 0.000 1.095 949 V CA 0.757 63.027 62.300 -0.050 0.000 1.160 949 V CB 1.051 32.843 31.823 -0.053 0.000 1.003 949 V HN 0.993 nan 8.190 nan 0.000 0.489 950 D N -0.192 120.204 120.400 -0.007 0.000 2.410 950 D HA 0.158 4.798 4.640 0.001 0.000 0.275 950 D C 0.026 176.363 176.300 0.061 0.000 1.152 950 D CA 0.046 54.065 54.000 0.031 0.000 0.825 950 D CB 0.535 41.364 40.800 0.049 0.000 1.312 950 D HN 0.586 nan 8.370 nan 0.000 0.532 951 Q N 0.652 120.475 119.800 0.038 0.000 3.293 951 Q HA 0.162 4.503 4.340 0.001 0.000 0.169 951 Q C -2.095 173.910 176.000 0.009 0.000 0.959 951 Q CA -0.323 55.498 55.803 0.031 0.000 1.272 951 Q CB 0.440 29.214 28.738 0.060 0.000 1.677 951 Q HN -0.033 nan 8.270 nan 0.000 0.616 952 V N 4.058 123.961 119.914 -0.018 0.000 3.096 952 V HA 0.795 4.915 4.120 0.001 0.000 0.319 952 V C -0.182 175.886 176.094 -0.043 0.000 1.103 952 V CA -0.751 61.520 62.300 -0.048 0.000 1.016 952 V CB 1.941 33.718 31.823 -0.075 0.000 1.090 952 V HN 0.709 nan 8.190 nan 0.000 0.449 953 L N 0.252 121.436 121.223 -0.065 0.000 2.710 953 L HA 0.666 5.006 4.340 0.001 0.000 0.262 953 L C -1.518 175.322 176.870 -0.050 0.000 0.940 953 L CA -0.582 54.234 54.840 -0.039 0.000 0.944 953 L CB 1.627 43.681 42.059 -0.009 0.000 1.348 953 L HN 0.331 nan 8.230 nan 0.000 0.425 954 V N 2.684 122.582 119.914 -0.027 0.000 2.406 954 V HA 0.637 4.757 4.120 0.001 0.000 0.272 954 V C 0.478 176.615 176.094 0.072 0.000 1.043 954 V CA 0.286 62.588 62.300 0.003 0.000 0.915 954 V CB 1.176 33.002 31.823 0.005 0.000 0.988 954 V HN 0.943 nan 8.190 nan 0.000 0.466 955 T N 2.920 117.562 114.554 0.146 0.000 2.865 955 T HA 0.470 4.820 4.350 0.001 0.000 0.294 955 T C -0.002 174.839 174.700 0.235 0.000 1.119 955 T CA -0.455 61.759 62.100 0.191 0.000 1.007 955 T CB 2.057 71.074 68.868 0.249 0.000 1.225 955 T HN 0.642 nan 8.240 nan 0.000 0.515 956 T N 2.414 117.061 114.554 0.155 0.000 2.874 956 T HA 0.550 4.900 4.350 0.001 0.000 0.281 956 T C -0.208 174.533 174.700 0.069 0.000 0.994 956 T CA -0.721 61.447 62.100 0.114 0.000 1.015 956 T CB 0.503 69.407 68.868 0.059 0.000 1.028 956 T HN 0.611 nan 8.240 nan 0.000 0.523 957 N N 0.083 118.795 118.700 0.021 0.000 2.500 957 N HA 0.185 4.925 4.740 0.001 0.000 0.291 957 N C 0.854 176.339 175.510 -0.042 0.000 1.092 957 N CA -0.462 52.542 53.050 -0.076 0.000 0.890 957 N CB 1.012 39.416 38.487 -0.138 0.000 1.466 957 N HN 0.658 nan 8.380 nan 0.000 0.507 958 Q N 1.210 120.987 119.800 -0.039 0.000 2.483 958 Q HA -0.348 3.993 4.340 0.001 0.000 0.229 958 Q C -0.098 175.898 176.000 -0.007 0.000 1.113 958 Q CA 2.716 58.510 55.803 -0.015 0.000 1.004 958 Q CB -0.625 28.104 28.738 -0.015 0.000 1.033 958 Q HN 0.760 nan 8.270 nan 0.000 0.534 959 D N -0.548 119.844 120.400 -0.014 0.000 2.390 959 D HA 0.035 4.676 4.640 0.001 0.000 0.235 959 D C 1.013 177.312 176.300 -0.002 0.000 1.040 959 D CA 1.130 55.124 54.000 -0.010 0.000 0.923 959 D CB -0.282 40.506 40.800 -0.021 0.000 0.886 959 D HN 0.633 nan 8.370 nan 0.000 0.532 960 G N 1.004 109.808 108.800 0.005 0.000 2.225 960 G HA2 -0.308 3.652 3.960 0.001 0.000 0.267 960 G HA3 -0.308 3.652 3.960 0.001 0.000 0.267 960 G C 0.329 175.246 174.900 0.028 0.000 1.024 960 G CA 0.129 45.239 45.100 0.018 0.000 0.784 960 G HN 0.340 nan 8.290 nan 0.000 0.507 961 L N -0.933 120.309 121.223 0.032 0.000 2.421 961 L HA 0.441 4.782 4.340 0.001 0.000 0.263 961 L C 1.000 177.940 176.870 0.117 0.000 1.122 961 L CA -0.756 54.111 54.840 0.046 0.000 0.804 961 L CB 0.723 42.802 42.059 0.033 0.000 1.150 961 L HN -0.031 nan 8.230 nan 0.000 0.457 962 K N 1.981 122.459 120.400 0.129 0.000 2.262 962 K HA 0.195 4.515 4.320 0.001 0.000 0.288 962 K C -0.934 175.921 176.600 0.426 0.000 1.090 962 K CA -0.112 56.336 56.287 0.268 0.000 0.918 962 K CB 0.215 32.899 32.500 0.306 0.000 1.139 962 K HN 0.232 nan 8.250 nan 0.000 0.462 963 F N 4.097 124.160 119.950 0.188 0.000 2.405 963 F HA 0.278 4.805 4.527 0.001 0.000 0.355 963 F C -0.538 175.344 175.800 0.137 0.000 1.121 963 F CA -0.762 57.334 58.000 0.162 0.000 1.112 963 F CB 0.760 39.817 39.000 0.096 0.000 1.126 963 F HN 0.064 nan 8.300 nan 0.000 0.481 964 V N 6.562 126.281 119.914 -0.325 0.000 2.656 964 V HA 0.455 4.576 4.120 0.001 0.000 0.307 964 V C -0.783 175.010 176.094 -0.500 0.000 1.051 964 V CA -1.012 61.060 62.300 -0.381 0.000 0.893 964 V CB 2.252 33.844 31.823 -0.384 0.000 0.999 964 V HN 0.626 nan 8.190 nan 0.000 0.426 965 K N 3.201 123.377 120.400 -0.374 0.000 2.397 965 K HA 0.768 5.089 4.320 0.001 0.000 0.253 965 K C -1.563 174.962 176.600 -0.125 0.000 0.932 965 K CA -0.629 55.506 56.287 -0.253 0.000 0.795 965 K CB 2.581 34.946 32.500 -0.226 0.000 1.159 965 K HN 0.439 nan 8.250 nan 0.000 0.424 966 V N 2.738 122.621 119.914 -0.051 0.000 2.555 966 V HA 0.487 4.607 4.120 0.001 0.000 0.302 966 V C -0.341 175.800 176.094 0.079 0.000 1.038 966 V CA -0.956 61.338 62.300 -0.009 0.000 0.887 966 V CB 1.702 33.499 31.823 -0.043 0.000 0.991 966 V HN 0.683 nan 8.190 nan 0.000 0.434 967 R N 2.890 123.428 120.500 0.063 0.000 2.439 967 R HA 0.757 5.097 4.340 0.001 0.000 0.310 967 R C -1.716 174.622 176.300 0.064 0.000 0.955 967 R CA -0.351 55.807 56.100 0.096 0.000 0.853 967 R CB 1.912 32.291 30.300 0.132 0.000 1.171 967 R HN 0.579 nan 8.270 nan 0.000 0.449 968 V N 4.609 124.546 119.914 0.038 0.000 2.547 968 V HA 0.551 4.671 4.120 0.001 0.000 0.299 968 V C -0.123 175.838 176.094 -0.222 0.000 1.040 968 V CA -0.771 61.499 62.300 -0.050 0.000 0.913 968 V CB 1.698 33.524 31.823 0.005 0.000 0.992 968 V HN 0.680 nan 8.190 nan 0.000 0.449 969 R N 2.275 122.599 120.500 -0.293 0.000 2.599 969 R HA 0.738 5.078 4.340 0.001 0.000 0.295 969 R C -1.257 174.856 176.300 -0.311 0.000 0.963 969 R CA -0.171 55.595 56.100 -0.557 0.000 0.883 969 R CB 2.195 32.057 30.300 -0.730 0.000 1.171 969 R HN 0.841 nan 8.270 nan 0.000 0.450 970 T N 1.210 115.605 114.554 -0.264 0.000 2.883 970 T HA 0.359 4.709 4.350 0.001 0.000 0.296 970 T C -0.925 173.761 174.700 -0.023 0.000 1.117 970 T CA -0.550 61.508 62.100 -0.070 0.000 1.006 970 T CB 1.890 70.792 68.868 0.056 0.000 1.191 970 T HN 0.448 nan 8.240 nan 0.000 0.508 971 T N 2.647 117.199 114.554 -0.003 0.000 3.053 971 T HA 0.301 4.652 4.350 0.001 0.000 0.363 971 T C -0.128 174.521 174.700 -0.084 0.000 1.239 971 T CA -0.681 61.403 62.100 -0.028 0.000 1.071 971 T CB 0.080 68.952 68.868 0.006 0.000 1.089 971 T HN 0.317 nan 8.240 nan 0.000 0.527 972 K N 3.478 123.827 120.400 -0.085 0.000 2.378 972 K HA 0.293 4.613 4.320 0.001 0.000 0.288 972 K C -0.055 176.454 176.600 -0.152 0.000 1.057 972 K CA -0.020 56.197 56.287 -0.115 0.000 0.971 972 K CB 0.622 33.035 32.500 -0.145 0.000 0.975 972 K HN 0.548 nan 8.250 nan 0.000 0.475 973 I N 6.142 126.636 120.570 -0.125 0.000 2.396 973 I HA 0.156 4.326 4.170 0.001 0.000 0.292 973 I C -1.663 174.417 176.117 -0.062 0.000 0.999 973 I CA -2.520 58.713 61.300 -0.113 0.000 1.310 973 I CB 1.119 39.064 38.000 -0.091 0.000 1.404 973 I HN 0.396 nan 8.210 nan 0.000 0.496 974 P HA -0.052 nan 4.420 nan 0.000 0.262 974 P C -1.101 176.210 177.300 0.019 0.000 1.182 974 P CA 0.217 63.355 63.100 0.063 0.000 0.761 974 P CB 0.935 32.766 31.700 0.219 0.000 0.795 975 Q N 1.990 121.787 119.800 -0.006 0.000 2.528 975 Q HA 0.341 4.681 4.340 0.001 0.000 0.289 975 Q C 1.288 177.277 176.000 -0.019 0.000 1.091 975 Q CA -0.891 54.897 55.803 -0.025 0.000 0.797 975 Q CB 1.733 30.439 28.738 -0.052 0.000 1.466 975 Q HN 0.238 nan 8.270 nan 0.000 0.436 976 I N 0.855 121.408 120.570 -0.028 0.000 2.399 976 I HA -0.226 3.944 4.170 0.001 0.000 0.254 976 I C 1.613 177.713 176.117 -0.029 0.000 1.146 976 I CA 1.695 62.981 61.300 -0.023 0.000 1.412 976 I CB -0.290 37.693 38.000 -0.029 0.000 1.076 976 I HN 0.858 nan 8.210 nan 0.000 0.432 977 G N -0.077 108.693 108.800 -0.051 0.000 2.426 977 G HA2 -0.100 3.861 3.960 0.001 0.000 0.214 977 G HA3 -0.100 3.861 3.960 0.001 0.000 0.214 977 G C 0.303 175.138 174.900 -0.107 0.000 1.156 977 G CA -0.091 44.968 45.100 -0.069 0.000 0.802 977 G HN 0.280 nan 8.290 nan 0.000 0.534 978 D N 0.346 120.659 120.400 -0.146 0.000 2.567 978 D HA 0.166 4.807 4.640 0.001 0.000 0.228 978 D C 0.491 176.572 176.300 -0.365 0.000 1.185 978 D CA 0.763 54.595 54.000 -0.281 0.000 0.874 978 D CB 0.780 41.375 40.800 -0.342 0.000 1.219 978 D HN 0.211 nan 8.370 nan 0.000 0.494 979 K N 0.725 120.817 120.400 -0.513 0.000 2.123 979 K HA 0.644 4.965 4.320 0.001 0.000 0.248 979 K C -1.110 174.980 176.600 -0.851 0.000 0.969 979 K CA -0.511 55.511 56.287 -0.442 0.000 0.882 979 K CB 0.767 33.117 32.500 -0.251 0.000 1.080 979 K HN 0.364 nan 8.250 nan 0.000 0.441 980 F N -0.172 119.691 119.950 -0.144 0.000 2.741 980 F HA 0.655 5.182 4.527 0.001 0.000 0.313 980 F C -0.929 174.859 175.800 -0.019 0.000 1.153 980 F CA -0.755 57.140 58.000 -0.175 0.000 0.931 980 F CB 2.375 41.161 39.000 -0.358 0.000 1.335 980 F HN 0.634 nan 8.300 nan 0.000 0.460 981 A N 0.613 123.654 122.820 0.368 0.000 2.590 981 A HA 0.603 4.923 4.320 0.001 0.000 0.294 981 A C -0.781 177.045 177.584 0.403 0.000 1.046 981 A CA -0.223 52.050 52.037 0.394 0.000 0.684 981 A CB 0.951 20.071 19.000 0.199 0.000 1.279 981 A HN 1.044 nan 8.150 nan 0.000 0.415 982 S N 0.615 116.455 115.700 0.233 0.000 2.546 982 S HA 0.543 5.014 4.470 0.001 0.000 0.265 982 S C 0.391 174.961 174.600 -0.050 0.000 1.190 982 S CA -0.208 57.870 58.200 -0.204 0.000 1.014 982 S CB 0.355 63.480 63.200 -0.125 0.000 1.087 982 S HN 0.689 nan 8.310 nan 0.000 0.525 983 R N 0.199 120.597 120.500 -0.170 0.000 2.893 983 R HA 0.342 4.682 4.340 0.001 0.000 0.317 983 R C -0.246 175.739 176.300 -0.526 0.000 1.239 983 R CA -0.124 55.803 56.100 -0.287 0.000 1.128 983 R CB -0.200 29.914 30.300 -0.309 0.000 1.377 983 R HN 0.582 nan 8.270 nan 0.000 0.583 984 H N -0.694 118.424 119.070 0.080 0.000 2.907 984 H HA 0.179 4.735 4.556 0.001 0.000 0.233 984 H C 0.658 176.050 175.328 0.107 0.000 1.285 984 H CA -0.055 56.053 56.048 0.100 0.000 0.981 984 H CB 1.220 31.075 29.762 0.155 0.000 2.255 984 H HN 0.447 nan 8.280 nan 0.000 0.601 985 G N 2.181 111.099 108.800 0.196 0.000 2.341 985 G HA2 -0.336 3.625 3.960 0.001 0.000 0.292 985 G HA3 -0.336 3.625 3.960 0.001 0.000 0.292 985 G C 0.611 175.645 174.900 0.224 0.000 1.021 985 G CA 0.463 45.710 45.100 0.246 0.000 0.905 985 G HN 0.331 nan 8.290 nan 0.000 0.508 986 Q N 0.239 120.176 119.800 0.228 0.000 2.399 986 Q HA 0.249 4.589 4.340 0.001 0.000 0.307 986 Q C 1.260 177.397 176.000 0.227 0.000 0.933 986 Q CA -0.078 55.859 55.803 0.223 0.000 0.995 986 Q CB -0.187 28.728 28.738 0.296 0.000 1.191 986 Q HN 0.801 nan 8.270 nan 0.000 0.426 987 K N -1.258 119.248 120.400 0.176 0.000 2.527 987 K HA 0.405 4.725 4.320 0.001 0.000 0.278 987 K C 0.142 176.804 176.600 0.104 0.000 0.981 987 K CA 0.399 56.764 56.287 0.130 0.000 1.009 987 K CB 0.489 33.033 32.500 0.074 0.000 0.895 987 K HN 0.180 nan 8.250 nan 0.000 0.493 988 G N 1.091 109.941 108.800 0.083 0.000 2.702 988 G HA2 0.381 4.341 3.960 0.001 0.000 0.296 988 G HA3 0.381 4.341 3.960 0.001 0.000 0.296 988 G C -1.064 173.855 174.900 0.031 0.000 1.463 988 G CA -0.645 44.486 45.100 0.052 0.000 0.890 988 G HN 0.792 nan 8.290 nan 0.000 0.534 989 T N -1.162 113.395 114.554 0.005 0.000 2.948 989 T HA 0.762 5.113 4.350 0.001 0.000 0.285 989 T C 0.477 175.195 174.700 0.029 0.000 1.019 989 T CA -0.763 61.331 62.100 -0.010 0.000 1.013 989 T CB 1.190 70.026 68.868 -0.052 0.000 1.117 989 T HN 0.477 nan 8.240 nan 0.000 0.533 990 I N 0.912 121.507 120.570 0.042 0.000 2.720 990 I HA 0.432 4.602 4.170 0.001 0.000 0.287 990 I C 1.522 177.659 176.117 0.033 0.000 1.090 990 I CA -0.214 61.115 61.300 0.048 0.000 1.384 990 I CB 0.982 39.020 38.000 0.063 0.000 1.420 990 I HN 0.988 nan 8.210 nan 0.000 0.575 991 G N 5.200 114.033 108.800 0.056 0.000 2.834 991 G HA2 0.342 4.303 3.960 0.001 0.000 0.198 991 G HA3 0.342 4.303 3.960 0.001 0.000 0.198 991 G C 0.105 175.068 174.900 0.105 0.000 1.070 991 G CA 0.250 45.412 45.100 0.104 0.000 0.771 991 G HN 0.508 nan 8.290 nan 0.000 0.601 992 I N 0.734 121.312 120.570 0.013 0.000 2.947 992 I HA 0.432 4.602 4.170 0.001 0.000 0.301 992 I C -1.425 174.555 176.117 -0.229 0.000 1.453 992 I CA -0.828 60.367 61.300 -0.176 0.000 0.984 992 I CB 2.330 40.054 38.000 -0.461 0.000 1.333 992 I HN 0.135 nan 8.210 nan 0.000 0.475 993 T N 1.441 115.818 114.554 -0.296 0.000 2.823 993 T HA 0.641 4.992 4.350 0.001 0.000 0.279 993 T C -1.045 173.476 174.700 -0.298 0.000 0.998 993 T CA -0.460 61.521 62.100 -0.197 0.000 0.994 993 T CB 1.256 70.064 68.868 -0.100 0.000 0.960 993 T HN 0.451 nan 8.240 nan 0.000 0.448 994 Y N 0.283 120.571 120.300 -0.020 0.000 2.630 994 Y HA 0.694 5.245 4.550 0.001 0.000 0.337 994 Y C 0.772 176.681 175.900 0.015 0.000 1.051 994 Y CA -1.519 56.583 58.100 0.002 0.000 1.121 994 Y CB 2.260 40.741 38.460 0.034 0.000 1.299 994 Y HN 0.507 nan 8.280 nan 0.000 0.498 995 R N -0.127 120.518 120.500 0.242 0.000 2.873 995 R HA 0.435 4.775 4.340 0.001 0.000 0.264 995 R C 0.806 177.185 176.300 0.132 0.000 1.026 995 R CA -0.932 55.252 56.100 0.140 0.000 1.002 995 R CB 1.293 31.654 30.300 0.102 0.000 1.174 995 R HN 0.677 nan 8.270 nan 0.000 0.488 996 R N 0.930 121.488 120.500 0.097 0.000 2.174 996 R HA -0.265 4.076 4.340 0.001 0.000 0.253 996 R C 1.319 177.695 176.300 0.125 0.000 1.165 996 R CA 2.000 58.158 56.100 0.098 0.000 0.984 996 R CB -0.241 30.101 30.300 0.070 0.000 0.873 996 R HN 0.569 nan 8.270 nan 0.000 0.456 997 E N 0.449 120.721 120.200 0.119 0.000 2.077 997 E HA -0.154 4.196 4.350 0.001 0.000 0.193 997 E C 1.348 178.057 176.600 0.181 0.000 0.989 997 E CA 1.449 57.931 56.400 0.138 0.000 0.800 997 E CB -0.075 29.693 29.700 0.113 0.000 0.746 997 E HN 0.372 nan 8.360 nan 0.000 0.452 998 D N -0.441 120.061 120.400 0.170 0.000 2.333 998 D HA 0.033 4.674 4.640 0.001 0.000 0.208 998 D C 0.384 176.674 176.300 -0.016 0.000 0.984 998 D CA 0.088 54.162 54.000 0.123 0.000 0.873 998 D CB 0.008 40.916 40.800 0.179 0.000 0.935 998 D HN 0.153 nan 8.370 nan 0.000 0.521 999 M N 2.536 122.169 119.600 0.056 0.000 2.238 999 M HA 0.168 4.649 4.480 0.001 0.000 0.347 999 M C -2.404 173.874 176.300 -0.036 0.000 1.173 999 M CA -1.689 53.607 55.300 -0.007 0.000 1.147 999 M CB 0.992 33.604 32.600 0.020 0.000 1.547 999 M HN -0.265 nan 8.290 nan 0.000 0.455 1000 P HA 0.170 nan 4.420 nan 0.000 0.276 1000 P C -1.501 175.682 177.300 -0.195 0.000 1.230 1000 P CA -0.041 62.814 63.100 -0.409 0.000 0.776 1000 P CB 0.026 31.227 31.700 -0.831 0.000 0.888 1001 F N -0.296 119.664 119.950 0.017 0.000 2.579 1001 F HA 0.724 5.252 4.527 0.001 0.000 0.324 1001 F C -0.195 175.742 175.800 0.229 0.000 1.058 1001 F CA -1.496 56.572 58.000 0.113 0.000 0.944 1001 F CB 0.993 40.055 39.000 0.104 0.000 1.245 1001 F HN 0.231 nan 8.300 nan 0.000 0.477 1002 T N 1.164 116.053 114.554 0.558 0.000 2.767 1002 T HA 0.523 4.873 4.350 0.001 0.000 0.284 1002 T C 1.160 176.153 174.700 0.488 0.000 0.973 1002 T CA -0.066 62.306 62.100 0.452 0.000 0.996 1002 T CB 1.036 70.072 68.868 0.279 0.000 0.927 1002 T HN 1.194 nan 8.240 nan 0.000 0.456 1003 A N 4.401 127.546 122.820 0.542 0.000 2.016 1003 A HA -0.237 4.083 4.320 0.001 0.000 0.225 1003 A C 2.176 179.871 177.584 0.184 0.000 1.230 1003 A CA 2.398 54.649 52.037 0.357 0.000 0.678 1003 A CB -0.850 18.358 19.000 0.346 0.000 0.826 1003 A HN 0.945 nan 8.150 nan 0.000 0.484 1004 E N -2.265 118.049 120.200 0.189 0.000 2.070 1004 E HA -0.111 4.240 4.350 0.001 0.000 0.197 1004 E C 1.761 178.407 176.600 0.077 0.000 1.004 1004 E CA 1.737 58.213 56.400 0.126 0.000 0.805 1004 E CB -0.361 29.426 29.700 0.145 0.000 0.744 1004 E HN 0.967 nan 8.360 nan 0.000 0.451 1005 G N 0.144 109.003 108.800 0.099 0.000 2.797 1005 G HA2 -0.181 3.779 3.960 0.001 0.000 0.195 1005 G HA3 -0.181 3.779 3.960 0.001 0.000 0.195 1005 G C 0.498 175.459 174.900 0.101 0.000 1.026 1005 G CA -0.017 45.106 45.100 0.037 0.000 0.759 1005 G HN 0.189 nan 8.290 nan 0.000 0.475 1006 I N 0.980 121.621 120.570 0.118 0.000 3.141 1006 I HA 0.396 4.566 4.170 0.001 0.000 0.295 1006 I C 0.523 176.828 176.117 0.313 0.000 1.252 1006 I CA -0.057 61.335 61.300 0.154 0.000 1.406 1006 I CB 0.663 38.671 38.000 0.014 0.000 1.333 1006 I HN 0.160 nan 8.210 nan 0.000 0.594 1007 V N 5.301 125.413 119.914 0.329 0.000 2.852 1007 V HA 0.404 4.524 4.120 0.001 0.000 0.300 1007 V C -2.356 173.810 176.094 0.120 0.000 1.205 1007 V CA -1.453 60.986 62.300 0.230 0.000 0.940 1007 V CB 2.584 34.501 31.823 0.157 0.000 1.047 1007 V HN 0.768 nan 8.190 nan 0.000 0.429 1008 P HA 0.155 nan 4.420 nan 0.000 0.267 1008 P C -0.448 176.799 177.300 -0.089 0.000 1.200 1008 P CA 0.321 63.272 63.100 -0.249 0.000 0.772 1008 P CB 0.912 32.289 31.700 -0.538 0.000 0.855 1009 D N 0.597 120.973 120.400 -0.040 0.000 2.327 1009 D HA 0.094 4.734 4.640 0.001 0.000 0.205 1009 D C 0.485 176.743 176.300 -0.069 0.000 0.989 1009 D CA 0.895 54.883 54.000 -0.020 0.000 0.873 1009 D CB 0.317 41.127 40.800 0.017 0.000 0.955 1009 D HN 0.171 nan 8.370 nan 0.000 0.515 1010 L N 0.111 121.273 121.223 -0.102 0.000 2.327 1010 L HA 0.475 4.815 4.340 0.001 0.000 0.258 1010 L C -1.201 175.579 176.870 -0.150 0.000 1.024 1010 L CA -0.733 54.017 54.840 -0.149 0.000 0.825 1010 L CB 2.523 44.460 42.059 -0.204 0.000 1.386 1010 L HN -0.194 nan 8.230 nan 0.000 0.417 1011 I N 4.489 124.986 120.570 -0.123 0.000 2.834 1011 I HA 0.252 4.422 4.170 0.001 0.000 0.276 1011 I C -0.119 175.968 176.117 -0.049 0.000 1.522 1011 I CA -0.297 60.935 61.300 -0.114 0.000 0.858 1011 I CB 0.672 38.601 38.000 -0.119 0.000 1.585 1011 I HN 0.474 nan 8.210 nan 0.000 0.574 1012 I N -0.709 119.845 120.570 -0.028 0.000 2.836 1012 I HA 0.256 4.427 4.170 0.001 0.000 0.285 1012 I C 0.399 176.519 176.117 0.004 0.000 1.174 1012 I CA 0.082 61.386 61.300 0.008 0.000 1.405 1012 I CB 0.598 38.636 38.000 0.062 0.000 1.385 1012 I HN 0.398 nan 8.210 nan 0.000 0.594 1013 N N 6.710 125.421 118.700 0.019 0.000 2.497 1013 N HA 0.184 4.924 4.740 0.001 0.000 0.271 1013 N C -1.567 173.924 175.510 -0.032 0.000 1.142 1013 N CA -1.717 51.342 53.050 0.014 0.000 0.965 1013 N CB 1.391 39.923 38.487 0.076 0.000 1.077 1013 N HN 0.499 nan 8.380 nan 0.000 0.462 1014 P HA -0.179 nan 4.420 nan 0.000 0.217 1014 P C 0.845 178.035 177.300 -0.183 0.000 1.148 1014 P CA 1.419 64.407 63.100 -0.186 0.000 0.828 1014 P CB 0.078 31.621 31.700 -0.263 0.000 0.783 1015 H N 0.579 119.628 119.070 -0.036 0.000 2.387 1015 H HA 0.036 4.593 4.556 0.001 0.000 0.299 1015 H C 1.753 177.054 175.328 -0.044 0.000 1.090 1015 H CA 1.375 57.402 56.048 -0.036 0.000 1.332 1015 H CB -0.770 28.978 29.762 -0.024 0.000 1.386 1015 H HN 0.145 nan 8.280 nan 0.000 0.516 1016 A N 0.957 123.817 122.820 0.067 0.000 2.215 1016 A HA -0.000 4.320 4.320 0.001 0.000 0.208 1016 A C 1.675 179.232 177.584 -0.045 0.000 1.296 1016 A CA 0.451 52.496 52.037 0.013 0.000 0.918 1016 A CB -0.635 18.370 19.000 0.008 0.000 0.806 1016 A HN 0.178 nan 8.150 nan 0.000 0.490 1017 I N -1.088 119.448 120.570 -0.056 0.000 3.523 1017 I HA 0.080 4.250 4.170 0.001 0.000 0.244 1017 I C -0.715 175.362 176.117 -0.066 0.000 1.110 1017 I CA -0.114 61.127 61.300 -0.097 0.000 1.517 1017 I CB -1.946 35.967 38.000 -0.146 0.000 1.505 1017 I HN 0.010 nan 8.210 nan 0.000 0.460 1018 P HA -0.204 nan 4.420 nan 0.000 0.219 1018 P C 1.848 179.134 177.300 -0.023 0.000 1.161 1018 P CA 2.799 65.882 63.100 -0.029 0.000 0.909 1018 P CB -0.043 31.654 31.700 -0.005 0.000 0.793 1019 S N -1.944 113.747 115.700 -0.015 0.000 2.436 1019 S HA -0.012 4.458 4.470 0.001 0.000 0.228 1019 S C 1.821 176.403 174.600 -0.031 0.000 1.014 1019 S CA 0.447 58.636 58.200 -0.019 0.000 0.950 1019 S CB -0.625 62.568 63.200 -0.013 0.000 0.784 1019 S HN 0.028 nan 8.310 nan 0.000 0.504 1020 R N 1.025 121.502 120.500 -0.038 0.000 2.119 1020 R HA 0.252 4.592 4.340 0.001 0.000 0.222 1020 R C 0.835 177.105 176.300 -0.050 0.000 1.088 1020 R CA 0.517 56.586 56.100 -0.051 0.000 0.984 1020 R CB -0.960 29.311 30.300 -0.049 0.000 0.884 1020 R HN 0.487 nan 8.270 nan 0.000 0.447 1021 M N 1.170 120.743 119.600 -0.046 0.000 2.249 1021 M HA -0.169 4.312 4.480 0.001 0.000 0.198 1021 M C -0.160 176.123 176.300 -0.029 0.000 0.394 1021 M CA 0.998 56.276 55.300 -0.037 0.000 0.427 1021 M CB -1.682 30.903 32.600 -0.024 0.000 1.307 1021 M HN 0.073 nan 8.290 nan 0.000 0.924 1022 T N -0.625 113.900 114.554 -0.047 0.000 3.029 1022 T HA 0.501 4.851 4.350 0.001 0.000 0.346 1022 T C 0.801 175.454 174.700 -0.078 0.000 1.211 1022 T CA -0.590 61.489 62.100 -0.035 0.000 1.009 1022 T CB 0.480 69.331 68.868 -0.028 0.000 1.084 1022 T HN 0.218 nan 8.240 nan 0.000 0.536 1023 V N 4.296 124.189 119.914 -0.035 0.000 2.719 1023 V HA 0.059 4.179 4.120 0.001 0.000 0.252 1023 V C 2.928 178.984 176.094 -0.064 0.000 1.065 1023 V CA 1.504 63.765 62.300 -0.066 0.000 1.086 1023 V CB -1.025 30.769 31.823 -0.048 0.000 0.700 1023 V HN 0.908 nan 8.190 nan 0.000 0.467 1024 A N -0.083 122.748 122.820 0.018 0.000 1.958 1024 A HA -0.342 3.978 4.320 0.001 0.000 0.221 1024 A C 2.231 179.803 177.584 -0.020 0.000 1.178 1024 A CA 2.333 54.462 52.037 0.153 0.000 0.642 1024 A CB -0.864 18.371 19.000 0.392 0.000 0.816 1024 A HN 0.692 nan 8.150 nan 0.000 0.453 1025 H N 0.065 118.735 119.070 -0.667 0.000 2.293 1025 H HA -0.049 4.507 4.556 0.001 0.000 0.300 1025 H C 1.938 177.203 175.328 -0.105 0.000 1.082 1025 H CA 1.942 57.601 56.048 -0.649 0.000 1.308 1025 H CB -0.450 28.942 29.762 -0.616 0.000 1.375 1025 H HN 0.427 nan 8.280 nan 0.000 0.495 1026 L N 0.294 121.593 121.223 0.127 0.000 2.129 1026 L HA -0.209 4.132 4.340 0.001 0.000 0.212 1026 L C 2.769 179.759 176.870 0.200 0.000 1.087 1026 L CA 1.153 56.038 54.840 0.076 0.000 0.757 1026 L CB -0.272 41.647 42.059 -0.233 0.000 0.896 1026 L HN 0.298 nan 8.230 nan 0.000 0.434 1027 I N -0.805 119.835 120.570 0.116 0.000 2.333 1027 I HA -0.235 3.935 4.170 0.001 0.000 0.246 1027 I C 2.527 178.845 176.117 0.334 0.000 1.106 1027 I CA 0.921 62.301 61.300 0.134 0.000 1.411 1027 I CB -0.376 37.514 38.000 -0.183 0.000 1.082 1027 I HN 0.319 nan 8.210 nan 0.000 0.420 1028 E N 0.896 121.313 120.200 0.362 0.000 2.130 1028 E HA -0.325 4.025 4.350 0.001 0.000 0.196 1028 E C 2.371 179.054 176.600 0.140 0.000 0.998 1028 E CA 1.889 58.428 56.400 0.231 0.000 0.806 1028 E CB -0.133 29.636 29.700 0.116 0.000 0.738 1028 E HN 0.579 nan 8.360 nan 0.000 0.459 1029 C N 0.020 119.411 119.300 0.152 0.000 2.442 1029 C HA -0.127 4.333 4.460 0.001 0.000 0.279 1029 C C 2.581 177.599 174.990 0.046 0.000 1.237 1029 C CA 0.876 59.947 59.018 0.089 0.000 1.722 1029 C CB -1.186 26.654 27.740 0.166 0.000 2.056 1029 C HN 0.585 nan 8.230 nan 0.000 0.469 1030 L N 0.897 122.215 121.223 0.159 0.000 1.955 1030 L HA -0.058 4.282 4.340 0.001 0.000 0.213 1030 L C 2.422 179.344 176.870 0.087 0.000 1.072 1030 L CA 2.285 57.192 54.840 0.112 0.000 0.755 1030 L CB -1.349 40.834 42.059 0.206 0.000 0.888 1030 L HN 0.491 nan 8.230 nan 0.000 0.432 1031 L N -1.152 120.159 121.223 0.147 0.000 2.064 1031 L HA -0.266 4.074 4.340 0.001 0.000 0.216 1031 L C 2.414 179.326 176.870 0.071 0.000 1.077 1031 L CA 2.312 57.241 54.840 0.147 0.000 0.766 1031 L CB -1.033 41.194 42.059 0.280 0.000 0.890 1031 L HN 0.312 nan 8.230 nan 0.000 0.435 1032 S N -0.820 114.907 115.700 0.045 0.000 2.371 1032 S HA -0.165 4.305 4.470 0.001 0.000 0.224 1032 S C 1.926 176.503 174.600 -0.040 0.000 1.029 1032 S CA 1.234 59.432 58.200 -0.005 0.000 0.978 1032 S CB -0.302 62.894 63.200 -0.007 0.000 0.833 1032 S HN 0.487 nan 8.310 nan 0.000 0.466 1033 K N 1.072 121.436 120.400 -0.060 0.000 2.211 1033 K HA -0.084 4.236 4.320 0.001 0.000 0.204 1033 K C 1.706 178.247 176.600 -0.098 0.000 1.047 1033 K CA 0.867 57.082 56.287 -0.120 0.000 0.935 1033 K CB -0.102 32.294 32.500 -0.174 0.000 0.728 1033 K HN 0.155 nan 8.250 nan 0.000 0.452 1034 V N 0.675 120.559 119.914 -0.050 0.000 2.261 1034 V HA -0.156 3.964 4.120 0.001 0.000 0.235 1034 V C 2.149 178.188 176.094 -0.091 0.000 1.044 1034 V CA 1.814 64.081 62.300 -0.056 0.000 1.007 1034 V CB -0.707 31.131 31.823 0.025 0.000 0.647 1034 V HN 0.448 nan 8.190 nan 0.000 0.462 1035 A N -0.080 122.717 122.820 -0.038 0.000 2.159 1035 A HA -0.230 4.090 4.320 0.001 0.000 0.222 1035 A C 2.244 179.791 177.584 -0.062 0.000 1.163 1035 A CA 2.249 54.264 52.037 -0.038 0.000 0.664 1035 A CB -0.769 18.218 19.000 -0.021 0.000 0.803 1035 A HN 0.682 nan 8.150 nan 0.000 0.470 1036 A N -0.574 122.198 122.820 -0.079 0.000 1.929 1036 A HA 0.089 4.410 4.320 0.001 0.000 0.216 1036 A C 2.095 179.624 177.584 -0.091 0.000 1.176 1036 A CA 1.430 53.419 52.037 -0.079 0.000 0.628 1036 A CB -0.369 18.577 19.000 -0.090 0.000 0.816 1036 A HN 0.502 nan 8.150 nan 0.000 0.444 1037 L N -0.203 120.928 121.223 -0.153 0.000 2.168 1037 L HA -0.034 4.307 4.340 0.001 0.000 0.203 1037 L C 2.644 179.413 176.870 -0.169 0.000 1.078 1037 L CA 1.265 55.976 54.840 -0.214 0.000 0.780 1037 L CB -0.369 41.396 42.059 -0.489 0.000 0.939 1037 L HN 0.465 nan 8.230 nan 0.000 0.451 1038 S N -0.279 115.326 115.700 -0.158 0.000 2.603 1038 S HA 0.093 4.563 4.470 0.001 0.000 0.220 1038 S C 1.758 176.361 174.600 0.005 0.000 0.967 1038 S CA 0.377 58.575 58.200 -0.004 0.000 0.920 1038 S CB -0.065 63.171 63.200 0.061 0.000 0.773 1038 S HN 0.537 nan 8.310 nan 0.000 0.529 1039 G N 1.793 110.580 108.800 -0.022 0.000 2.205 1039 G HA2 -0.312 3.648 3.960 0.001 0.000 0.269 1039 G HA3 -0.312 3.648 3.960 0.001 0.000 0.269 1039 G C 0.040 174.933 174.900 -0.012 0.000 0.977 1039 G CA 0.431 45.521 45.100 -0.017 0.000 0.652 1039 G HN 0.579 nan 8.290 nan 0.000 0.539 1040 N N 1.235 119.935 118.700 -0.001 0.000 2.401 1040 N HA 0.211 4.951 4.740 0.001 0.000 0.255 1040 N C 0.276 175.782 175.510 -0.007 0.000 1.110 1040 N CA -0.009 53.045 53.050 0.006 0.000 0.949 1040 N CB 0.779 39.283 38.487 0.028 0.000 1.110 1040 N HN 0.569 nan 8.380 nan 0.000 0.490 1041 E N 1.805 121.994 120.200 -0.019 0.000 2.026 1041 E HA -0.007 4.343 4.350 0.001 0.000 0.249 1041 E C 0.325 176.912 176.600 -0.022 0.000 1.273 1041 E CA -0.387 55.991 56.400 -0.035 0.000 0.991 1041 E CB -0.151 29.518 29.700 -0.051 0.000 1.076 1041 E HN 0.513 nan 8.360 nan 0.000 0.438 1042 G N 4.454 113.248 108.800 -0.010 0.000 2.202 1042 G HA2 -0.142 3.818 3.960 0.001 0.000 0.251 1042 G HA3 -0.142 3.818 3.960 0.001 0.000 0.251 1042 G C -0.204 174.700 174.900 0.007 0.000 1.219 1042 G CA -0.312 44.800 45.100 0.022 0.000 0.943 1042 G HN 0.618 nan 8.290 nan 0.000 0.465 1043 D N 1.344 121.768 120.400 0.039 0.000 2.312 1043 D HA 0.465 5.106 4.640 0.001 0.000 0.252 1043 D C 0.813 177.149 176.300 0.059 0.000 1.150 1043 D CA 0.271 54.286 54.000 0.025 0.000 0.870 1043 D CB 1.140 41.977 40.800 0.062 0.000 1.153 1043 D HN 0.316 nan 8.370 nan 0.000 0.457 1044 A N 2.775 125.523 122.820 -0.121 0.000 2.469 1044 A HA 0.233 4.553 4.320 0.001 0.000 0.245 1044 A C 0.874 178.291 177.584 -0.280 0.000 1.221 1044 A CA -0.345 51.410 52.037 -0.470 0.000 0.946 1044 A CB 0.023 18.327 19.000 -1.159 0.000 1.049 1044 A HN 0.486 nan 8.150 nan 0.000 0.529 1045 S N 2.148 117.817 115.700 -0.052 0.000 2.536 1045 S HA 0.047 4.517 4.470 0.001 0.000 0.294 1045 S C -1.329 173.341 174.600 0.118 0.000 1.289 1045 S CA -0.068 58.158 58.200 0.043 0.000 1.035 1045 S CB 0.282 63.575 63.200 0.155 0.000 0.783 1045 S HN 0.335 nan 8.310 nan 0.000 0.497 1046 P HA -0.155 nan 4.420 nan 0.000 0.223 1046 P C -0.166 177.040 177.300 -0.157 0.000 1.031 1046 P CA 1.184 64.143 63.100 -0.235 0.000 0.993 1046 P CB -0.004 31.502 31.700 -0.324 0.000 0.599 1047 F N -0.959 119.114 119.950 0.206 0.000 2.421 1047 F HA 0.455 4.983 4.527 0.000 0.000 0.358 1047 F C 1.177 177.115 175.800 0.230 0.000 1.115 1047 F CA -0.265 57.831 58.000 0.161 0.000 1.160 1047 F CB -0.603 38.433 39.000 0.059 0.000 1.123 1047 F HN 0.092 nan 8.300 nan 0.000 0.508 1048 T N -2.213 112.566 114.554 0.375 0.000 2.590 1048 T HA 0.353 4.703 4.350 0.001 0.000 0.282 1048 T C -0.083 174.766 174.700 0.248 0.000 0.989 1048 T CA -0.769 61.530 62.100 0.332 0.000 1.091 1048 T CB 1.735 70.806 68.868 0.338 0.000 1.460 1048 T HN 0.387 nan 8.240 nan 0.000 0.499 1049 D N 0.102 120.627 120.400 0.209 0.000 2.402 1049 D HA 0.331 4.971 4.640 0.001 0.000 0.216 1049 D C 0.428 176.811 176.300 0.137 0.000 1.128 1049 D CA -0.039 54.054 54.000 0.156 0.000 0.833 1049 D CB 0.282 41.160 40.800 0.130 0.000 0.971 1049 D HN 0.477 nan 8.370 nan 0.000 0.503 1050 I N 1.052 121.717 120.570 0.159 0.000 2.823 1050 I HA 0.091 4.261 4.170 0.001 0.000 0.290 1050 I C 1.082 177.239 176.117 0.067 0.000 1.091 1050 I CA 0.157 61.530 61.300 0.122 0.000 1.365 1050 I CB 1.081 39.178 38.000 0.160 0.000 1.427 1050 I HN -0.113 nan 8.210 nan 0.000 0.583 1051 T N -0.102 114.467 114.554 0.024 0.000 2.787 1051 T HA 0.369 4.719 4.350 0.001 0.000 0.297 1051 T C 0.438 175.105 174.700 -0.054 0.000 1.221 1051 T CA -0.793 61.297 62.100 -0.017 0.000 1.006 1051 T CB 1.489 70.368 68.868 0.018 0.000 1.328 1051 T HN 0.155 nan 8.240 nan 0.000 0.509 1052 V N 0.948 120.820 119.914 -0.071 0.000 2.346 1052 V HA -0.052 4.068 4.120 0.001 0.000 0.244 1052 V C 2.778 178.871 176.094 -0.003 0.000 1.037 1052 V CA 1.499 63.763 62.300 -0.060 0.000 1.029 1052 V CB -0.768 31.013 31.823 -0.070 0.000 0.663 1052 V HN 0.856 nan 8.190 nan 0.000 0.454 1053 E N 0.955 121.159 120.200 0.006 0.000 2.058 1053 E HA -0.205 4.145 4.350 0.001 0.000 0.194 1053 E C 2.357 178.975 176.600 0.031 0.000 0.997 1053 E CA 1.656 58.069 56.400 0.022 0.000 0.801 1053 E CB -0.778 28.934 29.700 0.021 0.000 0.746 1053 E HN 0.606 nan 8.360 nan 0.000 0.450 1054 G N 1.375 110.193 108.800 0.031 0.000 2.440 1054 G HA2 -0.237 3.724 3.960 0.001 0.000 0.218 1054 G HA3 -0.237 3.724 3.960 0.001 0.000 0.218 1054 G C 1.747 176.678 174.900 0.053 0.000 1.154 1054 G CA 0.757 45.883 45.100 0.043 0.000 0.767 1054 G HN 0.185 nan 8.290 nan 0.000 0.552 1055 I N 0.531 121.131 120.570 0.050 0.000 2.277 1055 I HA -0.121 4.049 4.170 0.001 0.000 0.243 1055 I C 3.021 179.186 176.117 0.080 0.000 1.094 1055 I CA 0.888 62.230 61.300 0.069 0.000 1.393 1055 I CB -0.355 37.684 38.000 0.065 0.000 1.078 1055 I HN 0.113 nan 8.210 nan 0.000 0.417 1056 S N 1.016 116.760 115.700 0.073 0.000 2.368 1056 S HA -0.277 4.193 4.470 0.001 0.000 0.226 1056 S C 1.936 176.584 174.600 0.080 0.000 1.044 1056 S CA 1.684 59.934 58.200 0.084 0.000 1.062 1056 S CB -0.324 62.919 63.200 0.071 0.000 0.931 1056 S HN 0.352 nan 8.310 nan 0.000 0.440 1057 K N 0.683 121.120 120.400 0.062 0.000 2.044 1057 K HA -0.092 4.228 4.320 0.001 0.000 0.210 1057 K C 2.095 178.734 176.600 0.066 0.000 1.049 1057 K CA 1.277 57.595 56.287 0.053 0.000 0.927 1057 K CB -0.440 32.084 32.500 0.041 0.000 0.713 1057 K HN 0.299 nan 8.250 nan 0.000 0.443 1058 L N 0.503 121.777 121.223 0.086 0.000 2.042 1058 L HA -0.215 4.125 4.340 0.001 0.000 0.210 1058 L C 2.435 179.428 176.870 0.205 0.000 1.076 1058 L CA 0.695 55.608 54.840 0.123 0.000 0.749 1058 L CB -0.315 41.822 42.059 0.129 0.000 0.893 1058 L HN 0.204 nan 8.230 nan 0.000 0.432 1059 L N -0.198 121.134 121.223 0.182 0.000 2.156 1059 L HA -0.154 4.187 4.340 0.001 0.000 0.208 1059 L C 2.608 179.597 176.870 0.198 0.000 1.095 1059 L CA 1.424 56.396 54.840 0.220 0.000 0.770 1059 L CB -0.458 41.698 42.059 0.162 0.000 0.914 1059 L HN 0.058 nan 8.230 nan 0.000 0.439 1060 R N 0.448 121.021 120.500 0.121 0.000 2.115 1060 R HA -0.113 4.227 4.340 0.001 0.000 0.230 1060 R C 1.927 178.241 176.300 0.024 0.000 1.111 1060 R CA 1.422 57.565 56.100 0.072 0.000 0.976 1060 R CB -0.472 29.856 30.300 0.047 0.000 0.870 1060 R HN 0.503 nan 8.270 nan 0.000 0.445 1061 E N -0.936 119.262 120.200 -0.005 0.000 2.515 1061 E HA -0.128 4.222 4.350 0.001 0.000 0.201 1061 E C 0.571 176.997 176.600 -0.289 0.000 1.071 1061 E CA 0.428 56.747 56.400 -0.134 0.000 0.880 1061 E CB 0.040 29.638 29.700 -0.170 0.000 0.828 1061 E HN 0.516 nan 8.360 nan 0.000 0.540 1062 H N -1.940 117.117 119.070 -0.022 0.000 2.986 1062 H HA 0.173 4.729 4.556 0.001 0.000 0.267 1062 H C 1.403 176.611 175.328 -0.201 0.000 1.072 1062 H CA 0.828 56.837 56.048 -0.066 0.000 1.202 1062 H CB 1.731 31.498 29.762 0.007 0.000 1.535 1062 H HN 0.330 nan 8.280 nan 0.000 0.522 1063 G N 0.518 109.268 108.800 -0.083 0.000 2.284 1063 G HA2 -0.245 3.715 3.960 0.001 0.000 0.216 1063 G HA3 -0.245 3.715 3.960 0.001 0.000 0.216 1063 G C -0.089 174.707 174.900 -0.173 0.000 1.009 1063 G CA -0.286 44.699 45.100 -0.192 0.000 0.625 1063 G HN 0.340 nan 8.290 nan 0.000 0.501 1064 Y N 1.426 121.756 120.300 0.049 0.000 2.301 1064 Y HA 0.523 5.073 4.550 0.001 0.000 0.328 1064 Y C 1.038 176.964 175.900 0.043 0.000 1.242 1064 Y CA -0.314 57.803 58.100 0.029 0.000 1.323 1064 Y CB 0.642 39.100 38.460 -0.003 0.000 1.266 1064 Y HN 0.311 nan 8.280 nan 0.000 0.527 1065 Q N 1.363 121.304 119.800 0.235 0.000 2.394 1065 Q HA -0.131 4.209 4.340 0.001 0.000 0.347 1065 Q C 0.892 176.987 176.000 0.159 0.000 1.144 1065 Q CA 0.755 56.654 55.803 0.160 0.000 1.050 1065 Q CB 0.681 29.528 28.738 0.182 0.000 1.188 1065 Q HN 0.747 nan 8.270 nan 0.000 0.406 1066 S N 3.199 118.967 115.700 0.113 0.000 2.555 1066 S HA 0.036 4.506 4.470 0.001 0.000 0.230 1066 S C 0.536 175.221 174.600 0.142 0.000 0.978 1066 S CA 0.342 58.608 58.200 0.110 0.000 0.934 1066 S CB 0.163 63.404 63.200 0.068 0.000 0.766 1066 S HN 0.639 nan 8.310 nan 0.000 0.533 1067 R N 0.225 120.845 120.500 0.199 0.000 2.565 1067 R HA 0.418 4.758 4.340 0.001 0.000 0.347 1067 R C 1.544 178.178 176.300 0.556 0.000 1.010 1067 R CA 0.312 56.609 56.100 0.328 0.000 1.126 1067 R CB -0.302 30.157 30.300 0.266 0.000 1.331 1067 R HN 0.501 nan 8.270 nan 0.000 0.552 1068 G N 1.006 110.020 108.800 0.356 0.000 2.729 1068 G HA2 -0.324 3.636 3.960 0.001 0.000 0.216 1068 G HA3 -0.324 3.636 3.960 0.001 0.000 0.216 1068 G C 0.305 175.304 174.900 0.166 0.000 1.252 1068 G CA -0.106 45.088 45.100 0.156 0.000 0.751 1068 G HN 0.170 nan 8.290 nan 0.000 0.527 1069 F N 2.111 122.140 119.950 0.133 0.000 2.613 1069 F HA 0.389 4.916 4.527 0.001 0.000 0.309 1069 F C 1.238 177.065 175.800 0.046 0.000 1.056 1069 F CA 1.312 59.376 58.000 0.108 0.000 1.286 1069 F CB 0.147 39.216 39.000 0.114 0.000 0.976 1069 F HN 0.428 nan 8.300 nan 0.000 0.646 1070 E N -0.820 119.533 120.200 0.255 0.000 2.378 1070 E HA 0.343 4.693 4.350 0.001 0.000 0.283 1070 E C -1.645 175.030 176.600 0.125 0.000 0.979 1070 E CA -0.799 55.695 56.400 0.157 0.000 0.795 1070 E CB 2.363 32.112 29.700 0.082 0.000 1.221 1070 E HN 0.199 nan 8.360 nan 0.000 0.428 1071 V N 2.907 122.867 119.914 0.076 0.000 2.775 1071 V HA 0.355 4.476 4.120 0.001 0.000 0.299 1071 V C 0.274 176.318 176.094 -0.084 0.000 1.062 1071 V CA 0.395 62.672 62.300 -0.037 0.000 1.063 1071 V CB 0.753 32.527 31.823 -0.082 0.000 0.994 1071 V HN 0.630 nan 8.190 nan 0.000 0.483 1072 M N 3.045 122.493 119.600 -0.253 0.000 2.667 1072 M HA 0.557 5.037 4.480 0.001 0.000 0.286 1072 M C -1.911 174.026 176.300 -0.605 0.000 1.270 1072 M CA -0.606 54.529 55.300 -0.275 0.000 0.826 1072 M CB 2.962 35.463 32.600 -0.166 0.000 1.743 1072 M HN 0.529 nan 8.290 nan 0.000 0.460 1073 Y N 0.274 120.232 120.300 -0.569 0.000 2.376 1073 Y HA 0.303 4.853 4.550 0.001 0.000 0.340 1073 Y C 0.251 175.718 175.900 -0.721 0.000 0.965 1073 Y CA -1.189 56.512 58.100 -0.666 0.000 1.078 1073 Y CB 0.901 38.908 38.460 -0.754 0.000 1.193 1073 Y HN 0.533 nan 8.280 nan 0.000 0.452 1074 N N 2.160 120.746 118.700 -0.191 0.000 2.411 1074 N HA -0.080 4.660 4.740 0.001 0.000 0.282 1074 N C 1.240 176.712 175.510 -0.064 0.000 1.322 1074 N CA 0.894 53.898 53.050 -0.078 0.000 0.943 1074 N CB 0.972 39.450 38.487 -0.016 0.000 1.266 1074 N HN 1.085 nan 8.380 nan 0.000 0.486 1075 G N 3.453 112.222 108.800 -0.052 0.000 2.562 1075 G HA2 -0.296 3.664 3.960 0.001 0.000 0.223 1075 G HA3 -0.296 3.664 3.960 0.001 0.000 0.223 1075 G C 1.106 176.106 174.900 0.167 0.000 1.102 1075 G CA 0.960 46.117 45.100 0.095 0.000 0.742 1075 G HN 0.713 nan 8.290 nan 0.000 0.587 1076 H N 0.400 119.504 119.070 0.057 0.000 2.294 1076 H HA -0.015 4.542 4.556 0.001 0.000 0.306 1076 H C 3.008 178.369 175.328 0.054 0.000 1.065 1076 H CA 1.969 58.033 56.048 0.025 0.000 1.343 1076 H CB -0.940 28.797 29.762 -0.041 0.000 1.396 1076 H HN 0.478 nan 8.280 nan 0.000 0.506 1077 T N -3.163 111.506 114.554 0.192 0.000 2.976 1077 T HA 0.234 4.584 4.350 0.001 0.000 0.257 1077 T C 1.848 176.639 174.700 0.152 0.000 1.051 1077 T CA 1.102 63.284 62.100 0.136 0.000 1.141 1077 T CB -0.118 68.812 68.868 0.103 0.000 0.881 1077 T HN 0.552 nan 8.240 nan 0.000 0.461 1078 G N 1.530 110.437 108.800 0.177 0.000 2.179 1078 G HA2 -0.236 3.725 3.960 0.001 0.000 0.220 1078 G HA3 -0.236 3.725 3.960 0.001 0.000 0.220 1078 G C 0.058 175.118 174.900 0.267 0.000 0.990 1078 G CA 0.218 45.471 45.100 0.256 0.000 0.646 1078 G HN 0.855 nan 8.290 nan 0.000 0.517 1079 K N 1.048 121.563 120.400 0.192 0.000 2.187 1079 K HA 0.443 4.763 4.320 0.001 0.000 0.247 1079 K C 0.800 177.518 176.600 0.196 0.000 1.019 1079 K CA -0.230 56.173 56.287 0.194 0.000 0.893 1079 K CB 0.306 32.867 32.500 0.102 0.000 1.025 1079 K HN 0.219 nan 8.250 nan 0.000 0.500 1080 K N 1.260 121.720 120.400 0.100 0.000 2.120 1080 K HA 0.205 4.525 4.320 0.001 0.000 0.245 1080 K C -0.406 176.092 176.600 -0.170 0.000 1.024 1080 K CA -0.366 55.788 56.287 -0.222 0.000 0.906 1080 K CB 0.468 32.827 32.500 -0.235 0.000 1.051 1080 K HN 0.415 nan 8.250 nan 0.000 0.491 1081 L N 3.211 124.287 121.223 -0.245 0.000 2.262 1081 L HA 0.140 4.481 4.340 0.001 0.000 0.288 1081 L C 1.255 178.065 176.870 -0.100 0.000 1.035 1081 L CA -0.549 54.209 54.840 -0.137 0.000 0.820 1081 L CB 1.122 43.094 42.059 -0.145 0.000 1.204 1081 L HN 0.750 nan 8.230 nan 0.000 0.424 1082 M N 3.366 122.933 119.600 -0.055 0.000 2.190 1082 M HA -0.221 4.259 4.480 0.001 0.000 0.252 1082 M C 0.848 177.133 176.300 -0.024 0.000 1.076 1082 M CA 1.924 57.204 55.300 -0.033 0.000 1.079 1082 M CB -0.105 32.487 32.600 -0.014 0.000 1.303 1082 M HN 0.651 nan 8.290 nan 0.000 0.412 1083 A N -0.503 122.308 122.820 -0.014 0.000 2.306 1083 A HA 0.615 4.935 4.320 0.001 0.000 0.330 1083 A C -0.537 177.061 177.584 0.025 0.000 1.146 1083 A CA -0.814 51.234 52.037 0.018 0.000 0.827 1083 A CB 0.608 19.628 19.000 0.032 0.000 1.178 1083 A HN 0.463 nan 8.150 nan 0.000 0.490 1084 Q N 0.137 119.998 119.800 0.101 0.000 2.227 1084 Q HA 0.625 4.965 4.340 0.001 0.000 0.245 1084 Q C -0.950 175.151 176.000 0.168 0.000 0.926 1084 Q CA -0.153 55.736 55.803 0.143 0.000 0.895 1084 Q CB 1.051 29.924 28.738 0.225 0.000 1.230 1084 Q HN 0.581 nan 8.270 nan 0.000 0.450 1085 I N 0.763 121.377 120.570 0.073 0.000 2.498 1085 I HA 0.232 4.402 4.170 0.001 0.000 0.301 1085 I C -0.378 175.690 176.117 -0.083 0.000 0.984 1085 I CA -0.642 60.638 61.300 -0.033 0.000 1.204 1085 I CB 0.578 38.526 38.000 -0.087 0.000 1.362 1085 I HN 0.513 nan 8.210 nan 0.000 0.471 1086 F N 6.241 125.959 119.950 -0.387 0.000 2.652 1086 F HA 0.322 4.850 4.527 0.001 0.000 0.352 1086 F C -0.422 175.330 175.800 -0.081 0.000 1.259 1086 F CA -0.526 57.225 58.000 -0.416 0.000 1.249 1086 F CB -0.430 38.266 39.000 -0.507 0.000 1.628 1086 F HN 0.250 nan 8.300 nan 0.000 0.654 1087 F N 4.006 123.705 119.950 -0.418 0.000 2.404 1087 F HA 0.636 5.164 4.527 0.000 0.000 0.345 1087 F C 0.365 175.874 175.800 -0.485 0.000 1.110 1087 F CA -0.155 57.630 58.000 -0.359 0.000 1.130 1087 F CB 0.696 39.559 39.000 -0.230 0.000 1.129 1087 F HN 0.507 nan 8.300 nan 0.000 0.500 1088 G N 5.978 114.872 108.800 0.157 0.000 2.404 1088 G HA2 0.222 4.182 3.960 0.001 0.000 0.298 1088 G HA3 0.222 4.182 3.960 0.001 0.000 0.298 1088 G C -3.399 171.496 174.900 -0.008 0.000 1.577 1088 G CA -1.079 43.932 45.100 -0.147 0.000 0.847 1088 G HN 0.378 nan 8.290 nan 0.000 0.598 1089 P HA 0.447 nan 4.420 nan 0.000 0.271 1089 P C -0.397 176.932 177.300 0.048 0.000 1.238 1089 P CA 0.359 63.482 63.100 0.038 0.000 0.794 1089 P CB 1.044 32.747 31.700 0.004 0.000 0.959 1090 T N -0.287 114.324 114.554 0.095 0.000 3.289 1090 T HA 0.126 4.477 4.350 0.001 0.000 0.370 1090 T C -1.457 173.321 174.700 0.130 0.000 1.546 1090 T CA -0.316 61.810 62.100 0.044 0.000 1.144 1090 T CB 0.295 69.135 68.868 -0.046 0.000 1.379 1090 T HN 0.227 nan 8.240 nan 0.000 0.478 1091 Y N 2.641 122.884 120.300 -0.094 0.000 2.402 1091 Y HA 0.534 5.084 4.550 0.000 0.000 0.333 1091 Y C -1.043 174.795 175.900 -0.104 0.000 1.076 1091 Y CA -0.713 57.372 58.100 -0.025 0.000 1.299 1091 Y CB 0.229 38.676 38.460 -0.021 0.000 1.197 1091 Y HN 0.624 nan 8.280 nan 0.000 0.517 1092 Y N 4.142 124.407 120.300 -0.058 0.000 2.391 1092 Y HA 0.358 4.908 4.550 0.001 0.000 0.341 1092 Y C -0.444 175.437 175.900 -0.032 0.000 0.965 1092 Y CA -0.947 57.151 58.100 -0.003 0.000 1.067 1092 Y CB 1.664 40.188 38.460 0.108 0.000 1.199 1092 Y HN 0.471 nan 8.280 nan 0.000 0.450 1093 Q N 3.302 123.190 119.800 0.148 0.000 2.241 1093 Q HA 0.386 4.726 4.340 0.001 0.000 0.254 1093 Q C -0.579 175.551 176.000 0.217 0.000 0.917 1093 Q CA -0.936 54.943 55.803 0.126 0.000 0.919 1093 Q CB 1.930 30.694 28.738 0.043 0.000 1.237 1093 Q HN 0.474 nan 8.270 nan 0.000 0.434 1094 R N 3.359 124.005 120.500 0.245 0.000 2.230 1094 R HA 0.219 4.559 4.340 0.001 0.000 0.337 1094 R C -1.223 175.039 176.300 -0.063 0.000 1.063 1094 R CA -0.545 55.624 56.100 0.115 0.000 0.935 1094 R CB -0.080 30.400 30.300 0.299 0.000 1.121 1094 R HN 0.408 nan 8.270 nan 0.000 0.486 1095 L N 3.252 124.375 121.223 -0.166 0.000 2.350 1095 L HA 0.474 4.814 4.340 0.001 0.000 0.275 1095 L C 0.511 177.223 176.870 -0.263 0.000 1.099 1095 L CA -0.764 53.977 54.840 -0.164 0.000 0.808 1095 L CB 0.455 42.454 42.059 -0.100 0.000 1.149 1095 L HN 0.534 nan 8.230 nan 0.000 0.442 1096 R N 0.907 121.223 120.500 -0.306 0.000 2.734 1096 R HA 0.290 4.630 4.340 0.001 0.000 0.266 1096 R C -0.746 175.301 176.300 -0.421 0.000 1.044 1096 R CA -0.064 55.798 56.100 -0.396 0.000 1.128 1096 R CB 0.113 30.122 30.300 -0.484 0.000 1.010 1096 R HN 0.765 nan 8.270 nan 0.000 0.461 1097 H N 0.538 119.437 119.070 -0.284 0.000 4.474 1097 H HA -0.029 4.527 4.556 0.001 0.000 0.517 1097 H C -1.311 173.857 175.328 -0.266 0.000 1.604 1097 H CA -0.116 55.783 56.048 -0.248 0.000 1.594 1097 H CB -1.272 28.356 29.762 -0.222 0.000 2.443 1097 H HN 0.662 nan 8.280 nan 0.000 0.565 1098 M N 0.218 119.719 119.600 -0.165 0.000 2.478 1098 M HA 0.342 4.823 4.480 0.001 0.000 0.327 1098 M C 1.773 177.988 176.300 -0.143 0.000 1.187 1098 M CA -0.550 54.633 55.300 -0.195 0.000 1.022 1098 M CB 1.778 34.234 32.600 -0.239 0.000 1.629 1098 M HN 0.093 nan 8.290 nan 0.000 0.461 1099 V N 1.203 121.040 119.914 -0.129 0.000 2.219 1099 V HA -0.289 3.832 4.120 0.001 0.000 0.248 1099 V C 1.173 177.217 176.094 -0.083 0.000 1.053 1099 V CA 2.286 64.530 62.300 -0.095 0.000 1.009 1099 V CB -0.241 31.534 31.823 -0.081 0.000 0.636 1099 V HN 0.896 nan 8.190 nan 0.000 0.445 1100 D N -0.089 120.259 120.400 -0.086 0.000 2.429 1100 D HA -0.113 4.527 4.640 0.001 0.000 0.237 1100 D C 1.289 177.541 176.300 -0.080 0.000 1.045 1100 D CA 0.770 54.726 54.000 -0.072 0.000 0.974 1100 D CB -0.209 40.549 40.800 -0.070 0.000 0.871 1100 D HN 0.549 nan 8.370 nan 0.000 0.525 1101 D N -0.906 119.435 120.400 -0.098 0.000 2.423 1101 D HA 0.068 4.709 4.640 0.001 0.000 0.212 1101 D C 1.620 177.878 176.300 -0.071 0.000 1.060 1101 D CA 0.280 54.217 54.000 -0.105 0.000 0.872 1101 D CB 0.643 41.349 40.800 -0.157 0.000 1.012 1101 D HN 0.202 nan 8.370 nan 0.000 0.503 1102 K N 0.012 120.379 120.400 -0.055 0.000 2.286 1102 K HA 0.129 4.450 4.320 0.001 0.000 0.203 1102 K C 0.478 177.083 176.600 0.008 0.000 1.078 1102 K CA -0.478 55.790 56.287 -0.032 0.000 0.957 1102 K CB 0.747 33.223 32.500 -0.040 0.000 1.018 1102 K HN -0.130 nan 8.250 nan 0.000 0.484 1103 I N 2.947 123.518 120.570 0.003 0.000 3.248 1103 I HA -0.247 3.923 4.170 0.001 0.000 0.344 1103 I C -0.277 175.904 176.117 0.107 0.000 1.190 1103 I CA 1.419 62.736 61.300 0.029 0.000 1.489 1103 I CB -0.481 37.522 38.000 0.004 0.000 1.285 1103 I HN 0.269 nan 8.210 nan 0.000 0.516 1104 H N 5.421 124.475 119.070 -0.028 0.000 3.154 1104 H HA 0.750 5.306 4.556 0.001 0.000 0.330 1104 H C -1.377 173.941 175.328 -0.017 0.000 1.033 1104 H CA -0.335 55.700 56.048 -0.022 0.000 1.393 1104 H CB 0.941 30.690 29.762 -0.022 0.000 1.951 1104 H HN 0.671 nan 8.280 nan 0.000 0.466 1105 A N 4.536 127.178 122.820 -0.297 0.000 2.423 1105 A HA 0.917 5.237 4.320 0.001 0.000 0.304 1105 A C -0.993 176.382 177.584 -0.349 0.000 1.104 1105 A CA -0.715 51.117 52.037 -0.340 0.000 0.757 1105 A CB 1.698 20.620 19.000 -0.129 0.000 1.313 1105 A HN 0.856 nan 8.150 nan 0.000 0.423 1106 R N -0.003 120.346 120.500 -0.250 0.000 2.579 1106 R HA 0.609 4.950 4.340 0.001 0.000 0.260 1106 R C -1.859 174.395 176.300 -0.077 0.000 1.103 1106 R CA 0.109 56.134 56.100 -0.125 0.000 0.942 1106 R CB 1.463 31.704 30.300 -0.099 0.000 1.251 1106 R HN 1.570 nan 8.270 nan 0.000 0.450 1107 A N 5.427 128.221 122.820 -0.044 0.000 2.605 1107 A HA 0.563 4.884 4.320 0.001 0.000 0.293 1107 A C -0.621 176.948 177.584 -0.024 0.000 1.216 1107 A CA -0.274 51.744 52.037 -0.033 0.000 0.742 1107 A CB 0.626 19.609 19.000 -0.029 0.000 1.170 1107 A HN 1.091 nan 8.150 nan 0.000 0.443 1108 R N 0.685 121.172 120.500 -0.023 0.000 1.556 1108 R HA 0.036 4.377 4.340 0.001 0.000 0.492 1108 R C 0.030 176.322 176.300 -0.013 0.000 1.343 1108 R CA 1.303 57.392 56.100 -0.019 0.000 1.479 1108 R CB -1.182 29.106 30.300 -0.020 0.000 3.646 1108 R HN 2.415 nan 8.270 nan 0.000 0.522 1109 G N 1.208 110.001 108.800 -0.012 0.000 2.512 1109 G HA2 0.343 4.303 3.960 0.001 0.000 0.181 1109 G HA3 0.343 4.303 3.960 0.001 0.000 0.181 1109 G C -2.913 171.981 174.900 -0.011 0.000 1.173 1109 G CA -0.389 44.707 45.100 -0.007 0.000 0.988 1109 G HN 0.729 nan 8.290 nan 0.000 0.485 1110 P HA 0.319 nan 4.420 nan 0.000 0.262 1110 P C -0.774 176.512 177.300 -0.023 0.000 1.182 1110 P CA 0.488 63.582 63.100 -0.011 0.000 0.761 1110 P CB 0.621 32.319 31.700 -0.002 0.000 0.795 1111 M N 1.657 121.233 119.600 -0.041 0.000 2.465 1111 M HA 0.307 4.787 4.480 0.001 0.000 0.316 1111 M C 0.449 176.704 176.300 -0.075 0.000 1.121 1111 M CA -1.081 54.180 55.300 -0.065 0.000 0.934 1111 M CB 1.749 34.294 32.600 -0.092 0.000 1.692 1111 M HN 0.403 nan 8.290 nan 0.000 0.444 1112 Q N 0.502 120.253 119.800 -0.082 0.000 2.540 1112 Q HA 0.118 4.458 4.340 0.001 0.000 0.256 1112 Q C 0.412 176.342 176.000 -0.117 0.000 1.084 1112 Q CA 0.359 56.114 55.803 -0.081 0.000 0.956 1112 Q CB 0.904 29.596 28.738 -0.077 0.000 1.303 1112 Q HN 0.579 nan 8.270 nan 0.000 0.509 1113 V N 2.026 121.883 119.914 -0.095 0.000 2.581 1113 V HA -0.084 4.036 4.120 0.001 0.000 0.240 1113 V C 1.525 177.543 176.094 -0.128 0.000 1.054 1113 V CA 0.953 63.188 62.300 -0.109 0.000 1.076 1113 V CB -0.373 31.413 31.823 -0.061 0.000 0.748 1113 V HN 0.804 nan 8.190 nan 0.000 0.474 1114 L N 0.320 121.496 121.223 -0.078 0.000 1.976 1114 L HA -0.129 4.211 4.340 0.001 0.000 0.209 1114 L C 2.322 179.154 176.870 -0.064 0.000 1.071 1114 L CA 2.754 57.570 54.840 -0.041 0.000 0.746 1114 L CB -1.090 40.965 42.059 -0.007 0.000 0.890 1114 L HN 0.353 nan 8.230 nan 0.000 0.432 1115 T N -0.821 113.677 114.554 -0.093 0.000 2.894 1115 T HA 0.026 4.377 4.350 0.001 0.000 0.258 1115 T C 0.754 175.265 174.700 -0.315 0.000 1.043 1115 T CA 0.648 62.691 62.100 -0.094 0.000 1.141 1115 T CB -0.074 68.762 68.868 -0.052 0.000 0.873 1115 T HN 0.364 nan 8.240 nan 0.000 0.449 1116 R N 0.717 121.008 120.500 -0.349 0.000 3.644 1116 R HA -0.107 4.233 4.340 0.001 0.000 0.308 1116 R C -0.316 175.841 176.300 -0.238 0.000 1.161 1116 R CA 0.248 56.095 56.100 -0.422 0.000 0.819 1116 R CB -1.898 27.881 30.300 -0.868 0.000 1.363 1116 R HN 0.507 nan 8.270 nan 0.000 0.479 1117 Q N -0.059 119.656 119.800 -0.142 0.000 2.252 1117 Q HA 0.449 4.789 4.340 0.001 0.000 0.256 1117 Q C -2.407 173.555 176.000 -0.063 0.000 1.020 1117 Q CA -2.183 53.573 55.803 -0.078 0.000 0.913 1117 Q CB 1.425 30.136 28.738 -0.044 0.000 1.286 1117 Q HN -0.135 nan 8.270 nan 0.000 0.480 1118 P HA -0.077 nan 4.420 nan 0.000 0.266 1118 P C -0.736 176.555 177.300 -0.015 0.000 1.195 1118 P CA 0.002 63.088 63.100 -0.023 0.000 0.768 1118 P CB 0.379 32.075 31.700 -0.007 0.000 0.838 1119 V N 0.534 120.441 119.914 -0.011 0.000 3.319 1119 V HA 0.252 4.372 4.120 0.001 0.000 0.303 1119 V C 0.234 176.332 176.094 0.007 0.000 1.094 1119 V CA -0.288 62.008 62.300 -0.008 0.000 1.106 1119 V CB 0.475 32.294 31.823 -0.008 0.000 1.099 1119 V HN 0.565 nan 8.190 nan 0.000 0.476 1120 E N 0.964 121.165 120.200 0.003 0.000 2.202 1120 E HA 0.594 4.944 4.350 0.001 0.000 0.272 1120 E C -0.116 176.480 176.600 -0.006 0.000 0.951 1120 E CA -0.137 56.267 56.400 0.006 0.000 0.813 1120 E CB 1.477 31.177 29.700 0.000 0.000 1.151 1120 E HN 1.935 nan 8.360 nan 0.000 0.398 1121 G N 3.385 112.178 108.800 -0.012 0.000 3.434 1121 G HA2 -0.203 3.757 3.960 0.001 0.000 0.686 1121 G HA3 -0.203 3.757 3.960 0.001 0.000 0.686 1121 G C 0.284 175.090 174.900 -0.157 0.000 1.099 1121 G CA 0.033 45.096 45.100 -0.061 0.000 0.931 1121 G HN 0.804 nan 8.290 nan 0.000 0.520 1122 R N 1.319 121.640 120.500 -0.299 0.000 2.139 1122 R HA -0.162 4.179 4.340 0.001 0.000 0.243 1122 R C 2.695 178.735 176.300 -0.434 0.000 1.145 1122 R CA 2.999 58.635 56.100 -0.773 0.000 0.976 1122 R CB -0.388 29.507 30.300 -0.676 0.000 0.866 1122 R HN 1.191 nan 8.270 nan 0.000 0.449 1123 S N 0.324 115.894 115.700 -0.218 0.000 2.382 1123 S HA -0.130 4.340 4.470 0.001 0.000 0.228 1123 S C 1.760 176.311 174.600 -0.082 0.000 1.027 1123 S CA 1.084 59.212 58.200 -0.119 0.000 0.991 1123 S CB -0.208 62.949 63.200 -0.071 0.000 0.823 1123 S HN 0.493 nan 8.310 nan 0.000 0.469 1124 R N 0.792 121.247 120.500 -0.075 0.000 2.480 1124 R HA 0.177 4.517 4.340 0.001 0.000 0.277 1124 R C -0.039 176.249 176.300 -0.020 0.000 1.008 1124 R CA 0.447 56.527 56.100 -0.034 0.000 1.090 1124 R CB -0.077 30.210 30.300 -0.021 0.000 1.234 1124 R HN 0.350 nan 8.270 nan 0.000 0.549 1125 D N -0.775 119.604 120.400 -0.037 0.000 3.079 1125 D HA -0.128 4.512 4.640 0.001 0.000 0.214 1125 D C 0.496 176.871 176.300 0.125 0.000 1.145 1125 D CA 1.148 55.181 54.000 0.055 0.000 0.958 1125 D CB -0.928 39.897 40.800 0.043 0.000 1.117 1125 D HN 0.443 nan 8.370 nan 0.000 0.416 1126 G N -0.438 108.400 108.800 0.063 0.000 2.777 1126 G HA2 0.380 4.341 3.960 0.001 0.000 0.286 1126 G HA3 0.380 4.341 3.960 0.001 0.000 0.286 1126 G C 0.628 175.661 174.900 0.220 0.000 1.283 1126 G CA 0.434 45.598 45.100 0.106 0.000 1.060 1126 G HN 0.520 nan 8.290 nan 0.000 0.641 1127 G N -1.935 106.944 108.800 0.132 0.000 2.537 1127 G HA2 0.564 4.524 3.960 0.001 0.000 0.308 1127 G HA3 0.564 4.524 3.960 0.001 0.000 0.308 1127 G C -0.598 174.354 174.900 0.086 0.000 1.237 1127 G CA -1.028 44.124 45.100 0.087 0.000 0.968 1127 G HN 0.602 nan 8.290 nan 0.000 0.481 1128 L N 0.172 121.427 121.223 0.052 0.000 2.395 1128 L HA 0.477 4.817 4.340 0.001 0.000 0.269 1128 L C 0.905 177.815 176.870 0.067 0.000 1.133 1128 L CA -0.795 54.080 54.840 0.058 0.000 0.812 1128 L CB 1.214 43.297 42.059 0.041 0.000 1.125 1128 L HN 0.559 nan 8.230 nan 0.000 0.452 1129 R N 1.650 122.183 120.500 0.055 0.000 2.265 1129 R HA 0.153 4.493 4.340 0.001 0.000 0.314 1129 R C -0.691 175.657 176.300 0.081 0.000 1.053 1129 R CA -0.229 55.908 56.100 0.062 0.000 0.931 1129 R CB 0.492 30.808 30.300 0.027 0.000 1.024 1129 R HN 0.461 nan 8.270 nan 0.000 0.457 1130 F N 5.298 125.233 119.950 -0.025 0.000 2.640 1130 F HA 0.369 4.896 4.527 0.001 0.000 0.331 1130 F C 0.775 176.560 175.800 -0.026 0.000 1.200 1130 F CA -0.225 57.757 58.000 -0.030 0.000 1.278 1130 F CB 0.043 39.009 39.000 -0.057 0.000 1.571 1130 F HN 0.831 nan 8.300 nan 0.000 0.576 1131 G N 1.823 110.570 108.800 -0.088 0.000 2.902 1131 G HA2 -0.171 3.789 3.960 0.001 0.000 0.240 1131 G HA3 -0.171 3.789 3.960 0.001 0.000 0.240 1131 G C 0.946 175.802 174.900 -0.073 0.000 1.244 1131 G CA -0.173 44.886 45.100 -0.069 0.000 0.862 1131 G HN 0.646 nan 8.290 nan 0.000 0.603 1132 E N -0.128 120.053 120.200 -0.032 0.000 2.033 1132 E HA -0.243 4.108 4.350 0.001 0.000 0.199 1132 E C 2.759 179.331 176.600 -0.047 0.000 1.011 1132 E CA 1.814 58.206 56.400 -0.014 0.000 0.815 1132 E CB -0.182 29.511 29.700 -0.012 0.000 0.755 1132 E HN 0.588 nan 8.360 nan 0.000 0.451 1133 M N 0.536 120.089 119.600 -0.078 0.000 2.088 1133 M HA -0.255 4.225 4.480 0.001 0.000 0.256 1133 M C 2.182 178.402 176.300 -0.133 0.000 1.071 1133 M CA 1.647 56.893 55.300 -0.091 0.000 1.097 1133 M CB -0.735 31.807 32.600 -0.096 0.000 1.315 1133 M HN -0.019 nan 8.290 nan 0.000 0.406 1134 E N 0.121 120.156 120.200 -0.274 0.000 2.097 1134 E HA -0.184 4.166 4.350 0.001 0.000 0.196 1134 E C 1.954 178.427 176.600 -0.212 0.000 1.000 1134 E CA 1.275 57.373 56.400 -0.504 0.000 0.804 1134 E CB -0.489 28.401 29.700 -1.349 0.000 0.740 1134 E HN 0.380 nan 8.360 nan 0.000 0.454 1135 R N 0.740 121.231 120.500 -0.015 0.000 2.070 1135 R HA -0.182 4.159 4.340 0.001 0.000 0.233 1135 R C 1.275 177.646 176.300 0.119 0.000 1.137 1135 R CA 1.936 58.172 56.100 0.225 0.000 0.945 1135 R CB -0.276 30.126 30.300 0.170 0.000 0.845 1135 R HN 0.131 nan 8.270 nan 0.000 0.430 1136 D N 0.087 120.512 120.400 0.041 0.000 2.158 1136 D HA -0.179 4.461 4.640 0.001 0.000 0.197 1136 D C 1.958 178.264 176.300 0.009 0.000 0.995 1136 D CA 1.325 55.335 54.000 0.016 0.000 0.846 1136 D CB -0.482 40.310 40.800 -0.013 0.000 0.941 1136 D HN 0.309 nan 8.370 nan 0.000 0.456 1137 C N -0.115 119.191 119.300 0.010 0.000 2.476 1137 C HA -0.023 4.438 4.460 0.001 0.000 0.278 1137 C C 2.605 177.644 174.990 0.081 0.000 1.274 1137 C CA 0.178 59.193 59.018 -0.005 0.000 1.713 1137 C CB -0.646 27.108 27.740 0.023 0.000 2.039 1137 C HN 0.275 nan 8.230 nan 0.000 0.484 1138 M N 0.769 120.503 119.600 0.223 0.000 2.149 1138 M HA -0.053 4.428 4.480 0.001 0.000 0.261 1138 M C 1.851 178.278 176.300 0.211 0.000 1.064 1138 M CA 1.535 57.032 55.300 0.328 0.000 1.102 1138 M CB -0.816 32.017 32.600 0.389 0.000 1.369 1138 M HN 0.328 nan 8.290 nan 0.000 0.408 1139 I N -0.900 119.746 120.570 0.127 0.000 2.226 1139 I HA -0.300 3.871 4.170 0.001 0.000 0.245 1139 I C 2.364 178.511 176.117 0.049 0.000 1.100 1139 I CA 1.179 62.527 61.300 0.080 0.000 1.374 1139 I CB -0.805 37.225 38.000 0.050 0.000 1.057 1139 I HN 0.256 nan 8.210 nan 0.000 0.413 1140 A N 0.352 123.169 122.820 -0.003 0.000 1.883 1140 A HA -0.266 4.054 4.320 0.001 0.000 0.217 1140 A C 2.213 179.761 177.584 -0.060 0.000 1.186 1140 A CA 1.737 53.731 52.037 -0.072 0.000 0.624 1140 A CB -0.976 17.923 19.000 -0.168 0.000 0.822 1140 A HN 0.418 nan 8.150 nan 0.000 0.444 1141 H N -1.211 117.889 119.070 0.050 0.000 2.421 1141 H HA 0.022 4.578 4.556 0.001 0.000 0.298 1141 H C 1.866 177.220 175.328 0.044 0.000 1.087 1141 H CA 1.240 57.315 56.048 0.046 0.000 1.330 1141 H CB -0.315 29.485 29.762 0.064 0.000 1.388 1141 H HN 0.713 nan 8.280 nan 0.000 0.526 1142 G N -0.471 108.431 108.800 0.170 0.000 2.141 1142 G HA2 -0.255 3.705 3.960 0.001 0.000 0.231 1142 G HA3 -0.255 3.705 3.960 0.001 0.000 0.231 1142 G C 0.982 175.957 174.900 0.124 0.000 0.984 1142 G CA 0.481 45.649 45.100 0.113 0.000 0.660 1142 G HN 0.666 nan 8.290 nan 0.000 0.525 1143 A N 0.095 123.023 122.820 0.180 0.000 2.190 1143 A HA 0.643 4.964 4.320 0.001 0.000 0.226 1143 A C 2.346 180.033 177.584 0.172 0.000 1.402 1143 A CA 1.430 53.583 52.037 0.194 0.000 1.288 1143 A CB -0.899 18.286 19.000 0.308 0.000 0.833 1143 A HN 2.054 nan 8.150 nan 0.000 0.564 1144 A N 0.401 123.287 122.820 0.111 0.000 1.887 1144 A HA -0.303 4.017 4.320 0.001 0.000 0.225 1144 A C 2.547 180.169 177.584 0.063 0.000 1.464 1144 A CA 2.750 54.832 52.037 0.074 0.000 0.717 1144 A CB -1.278 17.755 19.000 0.055 0.000 0.848 1144 A HN 0.634 nan 8.150 nan 0.000 0.477 1145 S N -1.325 114.419 115.700 0.073 0.000 2.356 1145 S HA -0.127 4.343 4.470 0.001 0.000 0.223 1145 S C 1.686 176.334 174.600 0.079 0.000 1.032 1145 S CA 1.473 59.709 58.200 0.061 0.000 1.005 1145 S CB -0.602 62.635 63.200 0.061 0.000 0.867 1145 S HN 0.615 nan 8.310 nan 0.000 0.449 1146 F N 2.515 122.445 119.950 -0.033 0.000 2.065 1146 F HA -0.129 4.398 4.527 0.001 0.000 0.298 1146 F C 1.984 177.725 175.800 -0.098 0.000 1.112 1146 F CA 1.154 59.120 58.000 -0.056 0.000 1.212 1146 F CB -0.824 38.156 39.000 -0.034 0.000 0.975 1146 F HN 0.152 nan 8.300 nan 0.000 0.476 1147 L N 0.763 121.877 121.223 -0.182 0.000 1.971 1147 L HA -0.303 4.038 4.340 0.001 0.000 0.215 1147 L C 2.752 179.437 176.870 -0.308 0.000 1.072 1147 L CA 2.479 57.129 54.840 -0.317 0.000 0.758 1147 L CB -0.843 41.178 42.059 -0.063 0.000 0.889 1147 L HN 0.265 nan 8.230 nan 0.000 0.433 1148 K N -0.228 120.081 120.400 -0.152 0.000 2.052 1148 K HA -0.340 3.981 4.320 0.001 0.000 0.215 1148 K C 2.066 178.557 176.600 -0.182 0.000 1.053 1148 K CA 2.394 58.605 56.287 -0.126 0.000 0.934 1148 K CB -0.443 32.020 32.500 -0.061 0.000 0.717 1148 K HN 0.530 nan 8.250 nan 0.000 0.450 1149 E N 0.172 120.257 120.200 -0.192 0.000 2.070 1149 E HA -0.238 4.112 4.350 0.001 0.000 0.197 1149 E C 2.177 178.594 176.600 -0.305 0.000 1.004 1149 E CA 1.176 57.459 56.400 -0.195 0.000 0.805 1149 E CB 0.057 29.686 29.700 -0.118 0.000 0.744 1149 E HN 0.272 nan 8.360 nan 0.000 0.451 1150 R N -0.013 120.155 120.500 -0.553 0.000 2.091 1150 R HA -0.156 4.184 4.340 0.001 0.000 0.238 1150 R C 2.408 178.436 176.300 -0.453 0.000 1.136 1150 R CA 0.850 56.550 56.100 -0.667 0.000 0.959 1150 R CB -0.655 28.872 30.300 -1.288 0.000 0.856 1150 R HN 0.232 nan 8.270 nan 0.000 0.437 1151 L N -0.364 120.627 121.223 -0.387 0.000 2.217 1151 L HA -0.051 4.289 4.340 0.001 0.000 0.211 1151 L C 2.161 178.949 176.870 -0.138 0.000 1.107 1151 L CA 1.431 56.137 54.840 -0.224 0.000 0.783 1151 L CB -0.342 41.614 42.059 -0.171 0.000 0.919 1151 L HN 0.105 nan 8.230 nan 0.000 0.442 1152 M N -1.539 117.980 119.600 -0.136 0.000 2.886 1152 M HA 0.083 4.564 4.480 0.001 0.000 0.199 1152 M C 2.068 178.317 176.300 -0.085 0.000 1.435 1152 M CA 0.541 55.790 55.300 -0.086 0.000 1.387 1152 M CB -0.893 31.659 32.600 -0.079 0.000 0.981 1152 M HN -0.111 nan 8.290 nan 0.000 0.533 1153 E N 1.498 121.640 120.200 -0.097 0.000 2.187 1153 E HA -0.114 4.236 4.350 0.001 0.000 0.199 1153 E C 1.293 177.847 176.600 -0.076 0.000 1.004 1153 E CA 1.636 57.986 56.400 -0.083 0.000 0.813 1153 E CB -0.367 29.285 29.700 -0.079 0.000 0.736 1153 E HN 0.520 nan 8.360 nan 0.000 0.468 1154 A N -0.878 121.882 122.820 -0.101 0.000 2.532 1154 A HA 0.463 4.784 4.320 0.001 0.000 0.273 1154 A C 0.877 178.411 177.584 -0.083 0.000 1.342 1154 A CA 0.527 52.509 52.037 -0.093 0.000 0.929 1154 A CB 0.123 19.049 19.000 -0.124 0.000 1.051 1154 A HN 0.108 nan 8.150 nan 0.000 0.521 1155 S N -1.842 113.816 115.700 -0.069 0.000 4.572 1155 S HA 0.066 4.536 4.470 0.001 0.000 0.234 1155 S C 0.059 174.637 174.600 -0.036 0.000 1.071 1155 S CA 0.423 58.590 58.200 -0.054 0.000 1.087 1155 S CB -0.643 62.520 63.200 -0.062 0.000 1.979 1155 S HN 0.190 nan 8.310 nan 0.000 0.503 1156 D N 1.586 121.975 120.400 -0.019 0.000 2.469 1156 D HA -0.005 4.635 4.640 0.001 0.000 0.216 1156 D C 0.965 177.309 176.300 0.073 0.000 1.104 1156 D CA 2.270 56.288 54.000 0.030 0.000 0.950 1156 D CB -1.185 39.649 40.800 0.057 0.000 1.283 1156 D HN 1.351 nan 8.370 nan 0.000 0.502 1157 A N -0.013 122.855 122.820 0.080 0.000 1.371 1157 A HA -0.132 4.188 4.320 0.001 0.000 0.173 1157 A C -0.344 177.394 177.584 0.256 0.000 1.184 1157 A CA 0.712 52.805 52.037 0.094 0.000 0.625 1157 A CB -1.401 17.599 19.000 -0.000 0.000 1.069 1157 A HN 0.336 nan 8.150 nan 0.000 0.142 1158 F N 3.103 123.104 119.950 0.085 0.000 2.631 1158 F HA 0.753 5.280 4.527 0.001 0.000 0.308 1158 F C -0.310 175.600 175.800 0.184 0.000 1.097 1158 F CA -1.224 56.859 58.000 0.138 0.000 0.952 1158 F CB 1.497 40.602 39.000 0.176 0.000 1.307 1158 F HN 0.718 nan 8.300 nan 0.000 0.450 1159 R N 4.178 124.458 120.500 -0.367 0.000 2.343 1159 R HA 0.744 5.085 4.340 0.001 0.000 0.320 1159 R C -2.021 173.769 176.300 -0.850 0.000 0.956 1159 R CA -0.337 55.523 56.100 -0.400 0.000 0.836 1159 R CB 1.396 31.631 30.300 -0.108 0.000 1.151 1159 R HN 0.607 nan 8.270 nan 0.000 0.450 1160 V N 3.557 123.081 119.914 -0.650 0.000 3.102 1160 V HA 0.457 4.577 4.120 0.001 0.000 0.312 1160 V C -0.477 175.350 176.094 -0.446 0.000 1.135 1160 V CA -0.868 61.133 62.300 -0.498 0.000 1.022 1160 V CB 2.543 34.154 31.823 -0.354 0.000 1.056 1160 V HN 0.726 nan 8.190 nan 0.000 0.436 1161 H N 2.345 121.360 119.070 -0.091 0.000 2.472 1161 H HA 0.662 5.218 4.556 0.001 0.000 0.338 1161 H C -0.809 174.506 175.328 -0.022 0.000 1.133 1161 H CA -0.174 55.843 56.048 -0.052 0.000 1.216 1161 H CB 2.056 31.820 29.762 0.002 0.000 1.497 1161 H HN 0.419 nan 8.280 nan 0.000 0.500 1162 I N 0.700 121.323 120.570 0.088 0.000 3.023 1162 I HA 0.217 4.387 4.170 0.001 0.000 0.312 1162 I C 0.244 176.402 176.117 0.068 0.000 1.056 1162 I CA -1.006 60.336 61.300 0.069 0.000 1.033 1162 I CB 2.109 40.137 38.000 0.047 0.000 1.233 1162 I HN 0.433 nan 8.210 nan 0.000 0.462 1163 C N 1.736 121.066 119.300 0.050 0.000 2.388 1163 C HA 0.534 4.994 4.460 0.001 0.000 0.362 1163 C C 1.690 176.687 174.990 0.012 0.000 1.266 1163 C CA -0.108 58.929 59.018 0.032 0.000 2.028 1163 C CB 0.141 27.897 27.740 0.027 0.000 2.440 1163 C HN 1.015 nan 8.230 nan 0.000 0.547 1164 G N 4.059 112.885 108.800 0.044 0.000 2.471 1164 G HA2 -0.035 3.926 3.960 0.001 0.000 0.219 1164 G HA3 -0.035 3.926 3.960 0.001 0.000 0.219 1164 G C 0.974 175.766 174.900 -0.180 0.000 1.125 1164 G CA 0.883 45.999 45.100 0.027 0.000 0.775 1164 G HN 0.733 nan 8.290 nan 0.000 0.548 1165 I N 0.734 121.243 120.570 -0.102 0.000 2.883 1165 I HA 0.100 4.270 4.170 0.001 0.000 0.230 1165 I C 1.438 177.537 176.117 -0.030 0.000 1.052 1165 I CA 0.332 61.578 61.300 -0.091 0.000 1.434 1165 I CB -0.236 37.750 38.000 -0.023 0.000 1.269 1165 I HN 0.212 nan 8.210 nan 0.000 0.436 1166 C N 1.811 121.137 119.300 0.045 0.000 2.322 1166 C HA 0.624 5.084 4.460 0.001 0.000 0.343 1166 C C 1.336 176.415 174.990 0.148 0.000 1.190 1166 C CA -1.315 57.776 59.018 0.121 0.000 1.704 1166 C CB -0.887 26.893 27.740 0.067 0.000 2.293 1166 C HN 0.663 nan 8.230 nan 0.000 0.523 1167 G N 4.616 113.633 108.800 0.362 0.000 2.809 1167 G HA2 0.268 4.228 3.960 0.001 0.000 0.260 1167 G HA3 0.268 4.228 3.960 0.001 0.000 0.260 1167 G C -0.030 174.910 174.900 0.066 0.000 0.734 1167 G CA 0.119 45.388 45.100 0.281 0.000 2.020 1167 G HN 0.852 nan 8.290 nan 0.000 0.578 1168 L N -0.687 120.566 121.223 0.050 0.000 2.286 1168 L HA 0.459 4.799 4.340 0.001 0.000 0.265 1168 L C 1.314 178.211 176.870 0.046 0.000 1.012 1168 L CA -1.123 53.732 54.840 0.025 0.000 0.818 1168 L CB 1.757 43.833 42.059 0.028 0.000 1.337 1168 L HN 0.114 nan 8.230 nan 0.000 0.438 1169 M N -0.205 119.430 119.600 0.058 0.000 2.530 1169 M HA 0.053 4.534 4.480 0.001 0.000 0.231 1169 M C 1.166 177.513 176.300 0.079 0.000 1.180 1169 M CA 0.046 55.392 55.300 0.077 0.000 0.985 1169 M CB -0.452 32.206 32.600 0.096 0.000 1.623 1169 M HN 0.763 nan 8.290 nan 0.000 0.475 1170 T N 0.577 115.171 114.554 0.067 0.000 2.607 1170 T HA -0.108 4.242 4.350 0.001 0.000 0.267 1170 T C 1.072 175.817 174.700 0.074 0.000 1.049 1170 T CA 0.597 62.736 62.100 0.064 0.000 1.162 1170 T CB -0.610 68.289 68.868 0.052 0.000 0.863 1170 T HN 0.279 nan 8.240 nan 0.000 0.424 1171 V N 2.163 122.126 119.914 0.080 0.000 3.099 1171 V HA -0.175 3.946 4.120 0.001 0.000 0.272 1171 V C 0.528 176.683 176.094 0.101 0.000 1.559 1171 V CA 0.751 63.108 62.300 0.096 0.000 1.518 1171 V CB -0.640 31.255 31.823 0.121 0.000 0.834 1171 V HN 0.435 nan 8.190 nan 0.000 0.466 1172 I N 5.080 125.706 120.570 0.093 0.000 2.417 1172 I HA 0.366 4.536 4.170 0.001 0.000 0.283 1172 I C 0.804 176.942 176.117 0.035 0.000 1.121 1172 I CA -0.147 61.191 61.300 0.063 0.000 1.211 1172 I CB 0.627 38.654 38.000 0.045 0.000 1.492 1172 I HN 0.756 nan 8.210 nan 0.000 0.522 1173 A N 5.474 128.304 122.820 0.017 0.000 2.444 1173 A HA 0.222 4.542 4.320 0.001 0.000 0.287 1173 A C 0.949 178.412 177.584 -0.201 0.000 1.195 1173 A CA -0.108 51.844 52.037 -0.142 0.000 0.858 1173 A CB -0.056 18.763 19.000 -0.301 0.000 1.117 1173 A HN 0.644 nan 8.150 nan 0.000 0.521 1174 K N 2.728 122.933 120.400 -0.324 0.000 2.417 1174 K HA 0.190 4.510 4.320 0.001 0.000 0.196 1174 K C -0.022 176.411 176.600 -0.278 0.000 1.023 1174 K CA -0.177 55.978 56.287 -0.220 0.000 1.122 1174 K CB -0.211 32.201 32.500 -0.146 0.000 0.850 1174 K HN 0.801 nan 8.250 nan 0.000 0.521 1175 L N 1.925 122.927 121.223 -0.368 0.000 4.517 1175 L HA -0.355 3.985 4.340 0.001 0.000 0.527 1175 L C 0.838 177.555 176.870 -0.254 0.000 0.969 1175 L CA 0.410 55.084 54.840 -0.278 0.000 0.769 1175 L CB -1.483 40.519 42.059 -0.095 0.000 1.799 1175 L HN 0.445 nan 8.230 nan 0.000 0.825 1176 N N -1.479 117.006 118.700 -0.358 0.000 2.994 1176 N HA 0.042 4.783 4.740 0.001 0.000 0.287 1176 N C 0.907 176.125 175.510 -0.488 0.000 0.846 1176 N CA 0.008 52.778 53.050 -0.467 0.000 1.256 1176 N CB 0.391 38.445 38.487 -0.722 0.000 1.330 1176 N HN 0.403 nan 8.380 nan 0.000 1.205 1177 H N 2.275 121.265 119.070 -0.133 0.000 2.660 1177 H HA 0.314 4.870 4.556 0.001 0.000 0.310 1177 H C 0.083 175.312 175.328 -0.165 0.000 1.080 1177 H CA -0.092 55.887 56.048 -0.115 0.000 1.145 1177 H CB -0.390 29.316 29.762 -0.094 0.000 1.432 1177 H HN 0.310 nan 8.280 nan 0.000 0.542 1178 N N 0.864 119.433 118.700 -0.218 0.000 2.707 1178 N HA -0.240 4.500 4.740 0.001 0.000 0.245 1178 N C 0.077 175.279 175.510 -0.513 0.000 1.103 1178 N CA 0.864 53.717 53.050 -0.328 0.000 0.882 1178 N CB -0.695 37.720 38.487 -0.121 0.000 1.160 1178 N HN 0.618 nan 8.380 nan 0.000 0.587 1179 Q N -1.111 118.475 119.800 -0.356 0.000 2.369 1179 Q HA 0.085 4.426 4.340 0.001 0.000 0.295 1179 Q C 0.771 176.444 176.000 -0.546 0.000 1.075 1179 Q CA 0.699 56.331 55.803 -0.285 0.000 0.941 1179 Q CB 0.268 28.930 28.738 -0.126 0.000 1.260 1179 Q HN 0.340 nan 8.270 nan 0.000 0.417 1180 F N -0.541 119.372 119.950 -0.062 0.000 2.212 1180 F HA 0.099 4.626 4.527 0.001 0.000 0.262 1180 F C 0.424 176.187 175.800 -0.061 0.000 0.906 1180 F CA -0.388 57.557 58.000 -0.092 0.000 1.127 1180 F CB 0.598 39.535 39.000 -0.106 0.000 1.178 1180 F HN 0.589 nan 8.300 nan 0.000 0.779 1181 E N -0.570 119.727 120.200 0.162 0.000 9.167 1181 E HA -0.388 3.962 4.350 0.001 0.000 0.348 1181 E C -0.358 176.290 176.600 0.079 0.000 1.429 1181 E CA 1.287 57.739 56.400 0.087 0.000 2.484 1181 E CB -0.357 29.375 29.700 0.053 0.000 1.087 1181 E HN 0.561 nan 8.360 nan 0.000 0.407 1182 C N 1.123 120.455 119.300 0.052 0.000 2.767 1182 C HA 0.081 4.542 4.460 0.001 0.000 0.377 1182 C C -0.477 174.534 174.990 0.034 0.000 1.628 1182 C CA 0.017 59.062 59.018 0.046 0.000 0.896 1182 C CB -1.245 26.521 27.740 0.043 0.000 1.837 1182 C HN 0.685 nan 8.230 nan 0.000 0.720 1183 K N 1.142 121.560 120.400 0.031 0.000 2.448 1183 K HA 0.382 4.703 4.320 0.001 0.000 0.267 1183 K C 1.570 178.183 176.600 0.023 0.000 0.974 1183 K CA 1.474 57.775 56.287 0.024 0.000 0.900 1183 K CB -0.411 32.101 32.500 0.021 0.000 0.936 1183 K HN 1.774 nan 8.250 nan 0.000 0.531 1184 G N -1.546 107.266 108.800 0.019 0.000 2.320 1184 G HA2 -0.337 3.624 3.960 0.001 0.000 0.242 1184 G HA3 -0.337 3.624 3.960 0.001 0.000 0.242 1184 G C 1.041 175.952 174.900 0.018 0.000 1.033 1184 G CA 0.293 45.405 45.100 0.019 0.000 0.620 1184 G HN 0.641 nan 8.290 nan 0.000 0.517 1185 C N 0.142 119.454 119.300 0.019 0.000 3.637 1185 C HA 0.479 4.939 4.460 0.001 0.000 0.439 1185 C C 0.527 175.526 174.990 0.014 0.000 1.443 1185 C CA 0.118 59.146 59.018 0.017 0.000 2.037 1185 C CB 0.168 27.919 27.740 0.019 0.000 2.957 1185 C HN 0.819 nan 8.230 nan 0.000 0.669 1186 D N 2.225 122.635 120.400 0.017 0.000 4.543 1186 D HA -0.147 4.494 4.640 0.001 0.000 0.236 1186 D C -0.695 175.613 176.300 0.014 0.000 1.047 1186 D CA 0.879 54.888 54.000 0.016 0.000 1.254 1186 D CB -0.283 40.524 40.800 0.012 0.000 0.762 1186 D HN 0.545 nan 8.370 nan 0.000 0.381 1187 N N 2.393 121.104 118.700 0.018 0.000 3.513 1187 N HA 0.516 5.256 4.740 0.001 0.000 0.351 1187 N C 0.438 175.964 175.510 0.027 0.000 1.624 1187 N CA -0.167 52.891 53.050 0.014 0.000 0.712 1187 N CB 1.253 39.744 38.487 0.006 0.000 2.106 1187 N HN 0.509 nan 8.380 nan 0.000 0.649 1188 K N -0.816 119.601 120.400 0.028 0.000 1.058 1188 K HA 0.143 4.464 4.320 0.001 0.000 0.068 1188 K C 0.761 177.381 176.600 0.034 0.000 2.366 1188 K CA 0.125 56.452 56.287 0.066 0.000 0.947 1188 K CB -0.399 32.134 32.500 0.055 0.000 2.645 1188 K HN 0.326 nan 8.250 nan 0.000 0.327 1189 I N 0.427 120.988 120.570 -0.016 0.000 3.136 1189 I HA 0.031 4.201 4.170 0.001 0.000 0.262 1189 I C 0.173 176.219 176.117 -0.118 0.000 1.132 1189 I CA 0.323 61.592 61.300 -0.051 0.000 1.450 1189 I CB 0.428 38.408 38.000 -0.034 0.000 1.315 1189 I HN 0.036 nan 8.210 nan 0.000 0.460 1190 D N 2.072 122.414 120.400 -0.097 0.000 2.468 1190 D HA 0.438 5.079 4.640 0.001 0.000 0.218 1190 D C -0.728 175.489 176.300 -0.138 0.000 1.155 1190 D CA 0.249 54.181 54.000 -0.114 0.000 0.924 1190 D CB 0.164 40.956 40.800 -0.013 0.000 1.029 1190 D HN 0.042 nan 8.370 nan 0.000 0.515 1191 I N 3.420 123.779 120.570 -0.352 0.000 2.571 1191 I HA 0.255 4.426 4.170 0.001 0.000 0.289 1191 I C -0.930 174.864 176.117 -0.539 0.000 1.115 1191 I CA -0.897 60.196 61.300 -0.345 0.000 1.045 1191 I CB 1.304 38.995 38.000 -0.515 0.000 1.238 1191 I HN 0.188 nan 8.210 nan 0.000 0.424 1192 Y N 3.474 123.664 120.300 -0.183 0.000 2.596 1192 Y HA 0.560 5.110 4.550 0.001 0.000 0.326 1192 Y C 0.058 175.866 175.900 -0.154 0.000 1.167 1192 Y CA -0.749 57.255 58.100 -0.161 0.000 1.246 1192 Y CB 1.074 39.453 38.460 -0.135 0.000 1.347 1192 Y HN 0.404 nan 8.280 nan 0.000 0.515 1193 Q N 2.431 122.196 119.800 -0.059 0.000 2.323 1193 Q HA 0.676 5.016 4.340 0.001 0.000 0.271 1193 Q C -1.606 174.231 176.000 -0.271 0.000 1.048 1193 Q CA -0.662 54.966 55.803 -0.293 0.000 0.792 1193 Q CB 2.009 30.554 28.738 -0.321 0.000 1.280 1193 Q HN 0.793 nan 8.270 nan 0.000 0.441 1194 I N -0.720 119.654 120.570 -0.328 0.000 3.042 1194 I HA 0.586 4.756 4.170 0.001 0.000 0.310 1194 I C -1.235 174.704 176.117 -0.296 0.000 1.117 1194 I CA -1.077 60.071 61.300 -0.254 0.000 1.003 1194 I CB 2.499 40.442 38.000 -0.095 0.000 1.228 1194 I HN 0.556 nan 8.210 nan 0.000 0.443 1195 H N 4.351 123.379 119.070 -0.070 0.000 2.587 1195 H HA 0.722 5.278 4.556 0.001 0.000 0.325 1195 H C -0.700 174.617 175.328 -0.019 0.000 1.012 1195 H CA -0.396 55.619 56.048 -0.055 0.000 1.213 1195 H CB 1.726 31.470 29.762 -0.030 0.000 1.431 1195 H HN 0.744 nan 8.280 nan 0.000 0.492 1196 I N 0.423 121.068 120.570 0.125 0.000 3.191 1196 I HA 0.581 4.751 4.170 0.001 0.000 0.313 1196 I C -2.886 173.289 176.117 0.097 0.000 1.193 1196 I CA -2.816 58.534 61.300 0.083 0.000 0.968 1196 I CB 3.041 41.076 38.000 0.058 0.000 1.262 1196 I HN 0.146 nan 8.210 nan 0.000 0.456 1197 P HA -0.011 nan 4.420 nan 0.000 0.271 1197 P C 0.035 177.396 177.300 0.102 0.000 1.226 1197 P CA 0.331 63.471 63.100 0.066 0.000 0.765 1197 P CB 0.463 32.166 31.700 0.005 0.000 0.835 1198 Y N 4.619 124.961 120.300 0.071 0.000 2.228 1198 Y HA -0.319 4.231 4.550 0.001 0.000 0.285 1198 Y C 2.351 178.230 175.900 -0.034 0.000 1.178 1198 Y CA 2.266 60.398 58.100 0.052 0.000 1.202 1198 Y CB -0.457 37.928 38.460 -0.124 0.000 0.974 1198 Y HN 0.483 nan 8.280 nan 0.000 0.527 1199 A N 0.328 123.247 122.820 0.164 0.000 1.883 1199 A HA -0.189 4.131 4.320 0.001 0.000 0.217 1199 A C 2.418 179.932 177.584 -0.117 0.000 1.186 1199 A CA 1.972 54.043 52.037 0.057 0.000 0.624 1199 A CB -1.511 17.503 19.000 0.022 0.000 0.822 1199 A HN 0.603 nan 8.150 nan 0.000 0.444 1200 A N -0.106 122.585 122.820 -0.215 0.000 1.902 1200 A HA -0.167 4.153 4.320 0.001 0.000 0.217 1200 A C 2.144 179.236 177.584 -0.819 0.000 1.181 1200 A CA 2.008 53.726 52.037 -0.532 0.000 0.623 1200 A CB -0.509 18.208 19.000 -0.472 0.000 0.818 1200 A HN 0.572 nan 8.150 nan 0.000 0.443 1201 K N -0.148 119.978 120.400 -0.457 0.000 2.015 1201 K HA -0.204 4.116 4.320 0.001 0.000 0.216 1201 K C 1.997 178.436 176.600 -0.268 0.000 1.052 1201 K CA 1.959 58.058 56.287 -0.313 0.000 0.937 1201 K CB -0.515 31.810 32.500 -0.291 0.000 0.719 1201 K HN 0.453 nan 8.250 nan 0.000 0.446 1202 L N 0.969 122.036 121.223 -0.259 0.000 1.990 1202 L HA -0.247 4.093 4.340 0.001 0.000 0.213 1202 L C 2.722 179.545 176.870 -0.079 0.000 1.072 1202 L CA 1.236 56.011 54.840 -0.109 0.000 0.755 1202 L CB -0.483 41.572 42.059 -0.007 0.000 0.889 1202 L HN 0.341 nan 8.230 nan 0.000 0.432 1203 L N -0.336 120.786 121.223 -0.168 0.000 2.010 1203 L HA -0.330 4.010 4.340 0.001 0.000 0.219 1203 L C 2.160 179.079 176.870 0.081 0.000 1.077 1203 L CA 2.109 56.887 54.840 -0.103 0.000 0.773 1203 L CB -0.810 41.108 42.059 -0.236 0.000 0.892 1203 L HN 0.158 nan 8.230 nan 0.000 0.436 1204 F N -0.837 119.113 119.950 -0.001 0.000 2.014 1204 F HA -0.279 4.248 4.527 0.001 0.000 0.295 1204 F C 2.672 178.473 175.800 0.001 0.000 1.145 1204 F CA 1.154 59.152 58.000 -0.003 0.000 1.178 1204 F CB -0.697 38.299 39.000 -0.007 0.000 0.972 1204 F HN 0.114 nan 8.300 nan 0.000 0.476 1205 Q N 0.504 120.432 119.800 0.213 0.000 2.118 1205 Q HA -0.285 4.055 4.340 0.001 0.000 0.211 1205 Q C 1.942 177.998 176.000 0.093 0.000 0.998 1205 Q CA 2.265 58.139 55.803 0.119 0.000 0.872 1205 Q CB -0.356 28.427 28.738 0.074 0.000 0.925 1205 Q HN 0.523 nan 8.270 nan 0.000 0.414 1206 E N 0.240 120.490 120.200 0.083 0.000 2.085 1206 E HA -0.203 4.147 4.350 0.001 0.000 0.194 1206 E C 2.082 178.724 176.600 0.070 0.000 0.994 1206 E CA 1.019 57.458 56.400 0.066 0.000 0.801 1206 E CB -0.167 29.564 29.700 0.053 0.000 0.743 1206 E HN 0.347 nan 8.360 nan 0.000 0.453 1207 L N 0.281 121.562 121.223 0.096 0.000 2.017 1207 L HA -0.219 4.121 4.340 0.001 0.000 0.208 1207 L C 2.636 179.540 176.870 0.057 0.000 1.073 1207 L CA 1.181 56.069 54.840 0.081 0.000 0.745 1207 L CB -0.342 41.784 42.059 0.111 0.000 0.894 1207 L HN 0.212 nan 8.230 nan 0.000 0.432 1208 M N -0.596 119.042 119.600 0.064 0.000 2.082 1208 M HA -0.231 4.250 4.480 0.001 0.000 0.258 1208 M C 2.390 178.712 176.300 0.038 0.000 1.069 1208 M CA 2.011 57.337 55.300 0.043 0.000 1.102 1208 M CB -0.642 31.989 32.600 0.050 0.000 1.336 1208 M HN 0.312 nan 8.290 nan 0.000 0.404 1209 A N -0.447 122.400 122.820 0.044 0.000 2.178 1209 A HA -0.069 4.252 4.320 0.001 0.000 0.218 1209 A C 1.934 179.537 177.584 0.031 0.000 1.157 1209 A CA 1.193 53.252 52.037 0.037 0.000 0.689 1209 A CB -0.629 18.395 19.000 0.040 0.000 0.787 1209 A HN 0.524 nan 8.150 nan 0.000 0.465 1210 M N -1.050 118.569 119.600 0.031 0.000 2.419 1210 M HA 0.122 4.602 4.480 0.001 0.000 0.252 1210 M C 0.597 176.908 176.300 0.019 0.000 1.143 1210 M CA -0.007 55.308 55.300 0.025 0.000 0.985 1210 M CB -0.080 32.536 32.600 0.027 0.000 1.489 1210 M HN 0.624 nan 8.290 nan 0.000 0.484 1211 N N 1.154 119.865 118.700 0.019 0.000 2.850 1211 N HA -0.170 4.570 4.740 0.001 0.000 0.249 1211 N C -0.676 174.838 175.510 0.005 0.000 1.060 1211 N CA 0.430 53.487 53.050 0.012 0.000 0.825 1211 N CB -0.534 37.959 38.487 0.010 0.000 1.132 1211 N HN 0.377 nan 8.380 nan 0.000 0.564 1212 I N 1.782 122.356 120.570 0.007 0.000 2.377 1212 I HA 0.147 4.317 4.170 0.001 0.000 0.293 1212 I C 0.646 176.753 176.117 -0.017 0.000 0.987 1212 I CA -0.380 60.917 61.300 -0.005 0.000 1.185 1212 I CB 1.637 39.637 38.000 -0.000 0.000 1.341 1212 I HN 0.070 nan 8.210 nan 0.000 0.455 1213 T N 4.481 119.011 114.554 -0.040 0.000 2.738 1213 T HA 0.494 4.845 4.350 0.001 0.000 0.298 1213 T C -2.302 172.322 174.700 -0.125 0.000 0.962 1213 T CA -1.607 60.453 62.100 -0.067 0.000 0.972 1213 T CB 0.943 69.777 68.868 -0.057 0.000 0.928 1213 T HN 0.340 nan 8.240 nan 0.000 0.474 1214 P HA 0.372 nan 4.420 nan 0.000 0.285 1214 P C -0.461 176.610 177.300 -0.382 0.000 1.448 1214 P CA -0.741 62.160 63.100 -0.332 0.000 0.953 1214 P CB 0.721 32.113 31.700 -0.513 0.000 1.175 1215 R N 3.105 123.422 120.500 -0.306 0.000 2.438 1215 R HA 0.394 4.734 4.340 0.001 0.000 0.287 1215 R C 0.003 176.137 176.300 -0.277 0.000 1.077 1215 R CA -0.606 55.324 56.100 -0.283 0.000 1.034 1215 R CB 0.702 30.745 30.300 -0.429 0.000 0.993 1215 R HN 0.507 nan 8.270 nan 0.000 0.459 1216 L N 4.928 126.094 121.223 -0.095 0.000 2.294 1216 L HA 0.363 4.703 4.340 0.001 0.000 0.283 1216 L C -0.871 176.169 176.870 0.284 0.000 1.015 1216 L CA -0.610 54.225 54.840 -0.009 0.000 0.831 1216 L CB 0.588 42.627 42.059 -0.035 0.000 1.217 1216 L HN 0.419 nan 8.230 nan 0.000 0.420 1217 Y N 1.041 121.256 120.300 -0.141 0.000 2.364 1217 Y HA 0.226 4.777 4.550 0.001 0.000 0.340 1217 Y C 1.525 177.308 175.900 -0.195 0.000 0.975 1217 Y CA -1.386 56.610 58.100 -0.174 0.000 1.089 1217 Y CB 2.053 40.430 38.460 -0.138 0.000 1.192 1217 Y HN 0.583 nan 8.280 nan 0.000 0.454 1218 T N -2.316 112.105 114.554 -0.222 0.000 3.148 1218 T HA 0.108 4.459 4.350 0.001 0.000 0.253 1218 T C -0.272 174.326 174.700 -0.170 0.000 1.134 1218 T CA 0.399 62.347 62.100 -0.253 0.000 1.051 1218 T CB -0.520 68.042 68.868 -0.510 0.000 0.959 1218 T HN 0.572 nan 8.240 nan 0.000 0.525 1219 D N 0.042 120.371 120.400 -0.119 0.000 2.753 1219 D HA 0.362 5.002 4.640 0.001 0.000 0.224 1219 D C -0.587 175.717 176.300 0.008 0.000 1.213 1219 D CA -1.118 52.847 54.000 -0.059 0.000 0.833 1219 D CB 1.216 41.966 40.800 -0.084 0.000 1.607 1219 D HN 0.346 nan 8.370 nan 0.000 0.463 1220 R N 0.082 120.591 120.500 0.016 0.000 2.428 1220 R HA 0.647 4.987 4.340 0.001 0.000 0.294 1220 R C -0.233 176.089 176.300 0.036 0.000 1.000 1220 R CA -0.714 55.407 56.100 0.036 0.000 0.960 1220 R CB 1.228 31.548 30.300 0.033 0.000 1.076 1220 R HN 0.541 nan 8.270 nan 0.000 0.475 1221 S N 1.208 116.938 115.700 0.049 0.000 2.632 1221 S HA 0.083 4.553 4.470 0.001 0.000 0.237 1221 S C 1.325 175.950 174.600 0.042 0.000 1.037 1221 S CA -0.613 57.612 58.200 0.042 0.000 1.009 1221 S CB 0.178 63.411 63.200 0.055 0.000 0.974 1221 S HN 0.756 nan 8.310 nan 0.000 0.544 1222 R N 1.480 122.014 120.500 0.057 0.000 2.334 1222 R HA 0.096 4.437 4.340 0.001 0.000 0.216 1222 R C -0.396 175.982 176.300 0.129 0.000 0.905 1222 R CA 0.375 56.528 56.100 0.088 0.000 1.064 1222 R CB -0.280 30.076 30.300 0.093 0.000 1.046 1222 R HN 0.305 nan 8.270 nan 0.000 0.508 1223 D N -0.283 120.165 120.400 0.080 0.000 3.287 1223 D HA -0.326 4.314 4.640 0.001 0.000 0.177 1223 D C 0.340 176.753 176.300 0.188 0.000 1.205 1223 D CA 2.013 56.050 54.000 0.063 0.000 1.054 1223 D CB -0.596 40.180 40.800 -0.041 0.000 0.550 1223 D HN 0.138 nan 8.370 nan 0.000 0.595 1224 F N 0.000 119.948 119.950 -0.004 0.000 2.286 1224 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1224 F CA 0.000 57.998 58.000 -0.004 0.000 1.383 1224 F CB 0.000 38.997 39.000 -0.006 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574