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 3m4o_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIXXXXXXA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGICGLM DATA SEQUENCE TVIAKLNHNQ FECKGCDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE RSRDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.276 176.300 -0.040 0.000 2.045 20 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 20 D CB 0.000 40.789 40.800 -0.018 0.000 0.688 21 E N 1.119 121.288 120.200 -0.052 0.000 2.385 21 E HA 0.063 4.415 4.350 0.004 0.000 0.194 21 E C 0.790 177.318 176.600 -0.120 0.000 1.013 21 E CA 0.131 56.480 56.400 -0.084 0.000 0.866 21 E CB 0.292 29.944 29.700 -0.079 0.000 0.832 21 E HN 0.130 nan 8.360 nan 0.000 0.500 22 S N 0.516 116.162 115.700 -0.090 0.000 2.486 22 S HA 0.248 4.721 4.470 0.004 0.000 0.220 22 S C 0.978 175.525 174.600 -0.087 0.000 1.011 22 S CA 0.205 58.346 58.200 -0.098 0.000 0.921 22 S CB 0.076 63.237 63.200 -0.065 0.000 0.785 22 S HN 0.474 nan 8.310 nan 0.000 0.517 23 A N 3.784 126.567 122.820 -0.063 0.000 2.624 23 A HA 0.146 4.468 4.320 0.004 0.000 0.231 23 A C -2.135 175.415 177.584 -0.056 0.000 1.034 23 A CA -0.445 51.566 52.037 -0.043 0.000 0.754 23 A CB -0.391 18.592 19.000 -0.028 0.000 0.953 23 A HN 0.236 nan 8.150 nan 0.000 0.509 24 P HA 0.235 nan 4.420 nan 0.000 0.272 24 P C -0.262 177.010 177.300 -0.047 0.000 1.230 24 P CA -0.032 63.039 63.100 -0.048 0.000 0.788 24 P CB 0.279 31.969 31.700 -0.018 0.000 0.949 25 I N -0.973 119.552 120.570 -0.075 0.000 2.519 25 I HA 0.304 4.477 4.170 0.004 0.000 0.287 25 I C 1.201 177.300 176.117 -0.030 0.000 1.047 25 I CA -0.589 60.673 61.300 -0.062 0.000 1.381 25 I CB 0.412 38.337 38.000 -0.126 0.000 1.417 25 I HN 0.281 nan 8.210 nan 0.000 0.540 26 T N 2.300 116.862 114.554 0.013 0.000 2.881 26 T HA 0.537 4.890 4.350 0.004 0.000 0.278 26 T C 1.214 175.959 174.700 0.074 0.000 0.982 26 T CA -0.134 61.991 62.100 0.042 0.000 0.989 26 T CB 1.699 70.602 68.868 0.059 0.000 1.058 26 T HN 0.769 nan 8.240 nan 0.000 0.529 27 A N 0.900 123.784 122.820 0.107 0.000 1.884 27 A HA -0.143 4.180 4.320 0.004 0.000 0.219 27 A C 2.325 180.060 177.584 0.252 0.000 1.197 27 A CA 1.962 54.107 52.037 0.179 0.000 0.637 27 A CB -1.329 17.797 19.000 0.210 0.000 0.827 27 A HN 0.969 nan 8.150 nan 0.000 0.450 28 E N 0.089 120.436 120.200 0.244 0.000 2.086 28 E HA -0.240 4.112 4.350 0.004 0.000 0.200 28 E C 1.486 178.275 176.600 0.314 0.000 1.012 28 E CA 1.649 58.228 56.400 0.299 0.000 0.812 28 E CB -0.497 29.317 29.700 0.190 0.000 0.743 28 E HN 0.569 nan 8.360 nan 0.000 0.453 29 D N -0.105 120.417 120.400 0.203 0.000 2.362 29 D HA -0.135 4.508 4.640 0.004 0.000 0.215 29 D C 1.782 178.204 176.300 0.204 0.000 0.978 29 D CA 0.678 54.785 54.000 0.178 0.000 0.921 29 D CB -0.268 40.592 40.800 0.101 0.000 0.895 29 D HN 0.063 nan 8.370 nan 0.000 0.494 30 S N -0.904 114.916 115.700 0.199 0.000 2.419 30 S HA -0.152 4.321 4.470 0.004 0.000 0.233 30 S C 1.526 176.140 174.600 0.024 0.000 1.016 30 S CA 0.722 59.006 58.200 0.139 0.000 0.974 30 S CB -0.222 63.016 63.200 0.063 0.000 0.786 30 S HN 0.358 nan 8.310 nan 0.000 0.492 31 W N 1.311 122.716 121.300 0.175 0.000 2.770 31 W HA 0.403 5.066 4.660 0.004 0.000 0.256 31 W C 2.532 179.192 176.519 0.235 0.000 1.291 31 W CA 0.169 57.623 57.345 0.182 0.000 1.396 31 W CB -0.496 29.044 29.460 0.134 0.000 1.114 31 W HN 0.319 nan 8.180 nan 0.000 0.637 32 A N 0.137 123.187 122.820 0.384 0.000 1.902 32 A HA -0.154 4.169 4.320 0.004 0.000 0.217 32 A C 1.996 179.777 177.584 0.328 0.000 1.181 32 A CA 2.124 54.356 52.037 0.325 0.000 0.623 32 A CB -0.948 18.212 19.000 0.266 0.000 0.818 32 A HN 0.090 nan 8.150 nan 0.000 0.443 33 V N 0.747 120.859 119.914 0.329 0.000 2.323 33 V HA -0.215 3.907 4.120 0.004 0.000 0.244 33 V C 2.449 178.697 176.094 0.256 0.000 1.041 33 V CA 1.623 64.138 62.300 0.360 0.000 1.025 33 V CB -0.662 31.455 31.823 0.489 0.000 0.656 33 V HN 0.536 nan 8.190 nan 0.000 0.451 34 I N 0.294 120.944 120.570 0.133 0.000 2.151 34 I HA -0.284 3.888 4.170 0.004 0.000 0.243 34 I C 2.606 178.812 176.117 0.148 0.000 1.080 34 I CA 1.889 63.199 61.300 0.016 0.000 1.339 34 I CB -1.210 36.724 38.000 -0.110 0.000 1.039 34 I HN 0.305 nan 8.210 nan 0.000 0.409 35 S N 0.737 116.634 115.700 0.329 0.000 2.387 35 S HA -0.198 4.274 4.470 0.004 0.000 0.230 35 S C 2.221 177.009 174.600 0.313 0.000 1.035 35 S CA 1.585 60.060 58.200 0.458 0.000 1.014 35 S CB -0.319 63.161 63.200 0.466 0.000 0.836 35 S HN 0.604 nan 8.310 nan 0.000 0.466 36 A N 1.001 123.990 122.820 0.283 0.000 1.855 36 A HA 0.092 4.415 4.320 0.004 0.000 0.215 36 A C 0.899 178.584 177.584 0.168 0.000 1.191 36 A CA 0.583 52.789 52.037 0.282 0.000 0.613 36 A CB -0.677 18.556 19.000 0.389 0.000 0.829 36 A HN 0.434 nan 8.150 nan 0.000 0.442 37 F N -1.276 118.512 119.950 -0.270 0.000 2.545 37 F HA 0.314 4.844 4.527 0.004 0.000 0.348 37 F C 0.766 176.294 175.800 -0.455 0.000 1.163 37 F CA 0.546 57.971 58.000 -0.958 0.000 1.331 37 F CB -0.105 37.891 39.000 -1.675 0.000 1.138 37 F HN 0.428 nan 8.300 nan 0.000 0.602 38 F N 0.269 119.578 119.950 -1.067 0.000 2.509 38 F HA -0.396 4.134 4.527 0.004 0.000 0.731 38 F C 2.148 177.783 175.800 -0.276 0.000 0.486 38 F CA 1.280 58.892 58.000 -0.646 0.000 0.852 38 F CB -1.235 37.531 39.000 -0.390 0.000 1.685 38 F HN 0.447 nan 8.300 nan 0.000 0.274 39 R N 0.560 121.113 120.500 0.090 0.000 2.119 39 R HA -0.224 4.118 4.340 0.004 0.000 0.246 39 R C 1.806 178.120 176.300 0.023 0.000 1.146 39 R CA 2.210 58.359 56.100 0.083 0.000 0.962 39 R CB -0.411 29.964 30.300 0.126 0.000 0.863 39 R HN 0.567 nan 8.270 nan 0.000 0.442 40 E N 0.033 120.216 120.200 -0.027 0.000 2.102 40 E HA -0.080 4.272 4.350 0.004 0.000 0.190 40 E C 1.485 178.038 176.600 -0.079 0.000 0.971 40 E CA 0.721 57.118 56.400 -0.005 0.000 0.821 40 E CB 0.372 30.132 29.700 0.099 0.000 0.777 40 E HN 0.220 nan 8.360 nan 0.000 0.460 41 K N -0.416 119.825 120.400 -0.266 0.000 2.313 41 K HA 0.166 4.488 4.320 0.004 0.000 0.197 41 K C 0.890 177.366 176.600 -0.207 0.000 1.061 41 K CA 0.557 56.668 56.287 -0.294 0.000 0.980 41 K CB 0.988 33.144 32.500 -0.573 0.000 0.888 41 K HN 0.186 nan 8.250 nan 0.000 0.502 42 G N 1.607 110.313 108.800 -0.156 0.000 2.804 42 G HA2 -0.284 3.679 3.960 0.004 0.000 0.230 42 G HA3 -0.284 3.679 3.960 0.004 0.000 0.230 42 G C 0.333 175.248 174.900 0.025 0.000 1.386 42 G CA -0.348 44.748 45.100 -0.008 0.000 0.875 42 G HN 0.153 nan 8.290 nan 0.000 0.557 43 L N -0.140 121.121 121.223 0.064 0.000 2.529 43 L HA 0.190 4.532 4.340 0.004 0.000 0.223 43 L C 2.264 179.151 176.870 0.029 0.000 1.113 43 L CA 1.018 55.910 54.840 0.086 0.000 0.861 43 L CB 0.014 42.098 42.059 0.040 0.000 1.012 43 L HN 0.766 nan 8.230 nan 0.000 0.461 44 V N -5.036 114.879 119.914 0.001 0.000 3.276 44 V HA 0.162 4.285 4.120 0.004 0.000 0.319 44 V C 2.040 178.120 176.094 -0.023 0.000 1.427 44 V CA 0.293 62.587 62.300 -0.011 0.000 1.102 44 V CB -0.038 31.782 31.823 -0.005 0.000 1.020 44 V HN 0.342 nan 8.190 nan 0.000 0.456 45 S N 3.098 118.773 115.700 -0.041 0.000 2.412 45 S HA -0.488 3.984 4.470 0.004 0.000 0.246 45 S C 1.993 176.582 174.600 -0.017 0.000 1.073 45 S CA 2.804 60.980 58.200 -0.040 0.000 1.186 45 S CB -1.142 62.013 63.200 -0.076 0.000 1.084 45 S HN 0.877 nan 8.310 nan 0.000 0.434 46 Q N 1.304 121.083 119.800 -0.035 0.000 2.182 46 Q HA -0.257 4.085 4.340 0.004 0.000 0.213 46 Q C 2.266 178.273 176.000 0.012 0.000 1.000 46 Q CA 2.217 58.005 55.803 -0.024 0.000 0.889 46 Q CB -0.781 27.926 28.738 -0.052 0.000 0.932 46 Q HN 0.698 nan 8.270 nan 0.000 0.415 47 Q N 0.437 120.243 119.800 0.009 0.000 1.990 47 Q HA -0.033 4.309 4.340 0.004 0.000 0.200 47 Q C 2.429 178.468 176.000 0.064 0.000 0.980 47 Q CA 1.586 57.406 55.803 0.029 0.000 0.832 47 Q CB -0.263 28.474 28.738 -0.001 0.000 0.897 47 Q HN 0.503 nan 8.270 nan 0.000 0.427 48 L N 1.084 122.329 121.223 0.037 0.000 2.042 48 L HA -0.225 4.118 4.340 0.004 0.000 0.210 48 L C 2.126 179.065 176.870 0.114 0.000 1.076 48 L CA 1.081 55.964 54.840 0.071 0.000 0.749 48 L CB -0.672 41.404 42.059 0.027 0.000 0.893 48 L HN 0.154 nan 8.230 nan 0.000 0.432 49 D N -0.433 120.014 120.400 0.079 0.000 2.149 49 D HA -0.219 4.424 4.640 0.004 0.000 0.194 49 D C 2.378 178.739 176.300 0.102 0.000 1.001 49 D CA 1.940 55.989 54.000 0.083 0.000 0.849 49 D CB 0.036 40.874 40.800 0.063 0.000 0.939 49 D HN 0.226 nan 8.370 nan 0.000 0.449 50 S N -1.093 114.677 115.700 0.116 0.000 2.446 50 S HA -0.080 4.392 4.470 0.004 0.000 0.225 50 S C 1.641 176.364 174.600 0.205 0.000 1.016 50 S CA 0.012 58.291 58.200 0.132 0.000 0.943 50 S CB -0.214 63.050 63.200 0.106 0.000 0.786 50 S HN 0.190 nan 8.310 nan 0.000 0.508 51 F N 2.637 122.645 119.950 0.097 0.000 2.367 51 F HA 0.195 4.725 4.527 0.004 0.000 0.298 51 F C 1.826 177.744 175.800 0.195 0.000 1.094 51 F CA 0.936 59.028 58.000 0.154 0.000 1.409 51 F CB -0.255 38.803 39.000 0.097 0.000 1.064 51 F HN 0.220 nan 8.300 nan 0.000 0.528 52 N N 0.297 119.086 118.700 0.149 0.000 2.173 52 N HA -0.163 4.579 4.740 0.004 0.000 0.184 52 N C 1.749 177.292 175.510 0.054 0.000 1.025 52 N CA 1.159 54.245 53.050 0.059 0.000 0.852 52 N CB -0.802 37.752 38.487 0.113 0.000 0.998 52 N HN 0.298 nan 8.380 nan 0.000 0.427 53 Q N 0.179 120.030 119.800 0.086 0.000 2.443 53 Q HA -0.042 4.300 4.340 0.004 0.000 0.213 53 Q C 1.269 177.338 176.000 0.115 0.000 0.982 53 Q CA 0.764 56.612 55.803 0.076 0.000 0.894 53 Q CB -0.278 28.464 28.738 0.007 0.000 0.947 53 Q HN 0.320 nan 8.270 nan 0.000 0.480 54 F N -1.214 118.679 119.950 -0.094 0.000 2.183 54 F HA -0.023 4.507 4.527 0.004 0.000 0.270 54 F C 1.973 177.632 175.800 -0.235 0.000 1.251 54 F CA 0.975 58.872 58.000 -0.172 0.000 1.078 54 F CB -0.854 37.999 39.000 -0.245 0.000 0.998 54 F HN -0.142 nan 8.300 nan 0.000 0.526 55 V N 1.351 120.896 119.914 -0.615 0.000 2.407 55 V HA -0.531 3.591 4.120 0.004 0.000 0.239 55 V C 2.045 177.878 176.094 -0.434 0.000 1.082 55 V CA 2.558 64.495 62.300 -0.606 0.000 1.094 55 V CB -1.056 30.490 31.823 -0.462 0.000 0.923 55 V HN 0.584 nan 8.190 nan 0.000 0.471 56 D N -2.673 117.583 120.400 -0.240 0.000 2.149 56 D HA -0.056 4.587 4.640 0.004 0.000 0.201 56 D C 1.759 177.828 176.300 -0.386 0.000 0.972 56 D CA 1.689 55.553 54.000 -0.227 0.000 0.835 56 D CB -0.066 40.708 40.800 -0.044 0.000 0.966 56 D HN 0.680 nan 8.370 nan 0.000 0.476 57 Y N -0.011 120.152 120.300 -0.229 0.000 2.808 57 Y HA 0.085 4.637 4.550 0.004 0.000 0.244 57 Y C 2.447 178.205 175.900 -0.237 0.000 1.033 57 Y CA 0.559 58.548 58.100 -0.184 0.000 1.415 57 Y CB -0.591 37.807 38.460 -0.104 0.000 1.420 57 Y HN -0.226 nan 8.280 nan 0.000 0.484 58 T N 1.738 116.261 114.554 -0.052 0.000 2.946 58 T HA -0.160 4.193 4.350 0.004 0.000 0.271 58 T C 1.749 176.246 174.700 -0.338 0.000 1.104 58 T CA 1.203 63.246 62.100 -0.096 0.000 1.114 58 T CB -0.381 68.556 68.868 0.115 0.000 0.867 58 T HN 0.057 nan 8.240 nan 0.000 0.513 59 L N 0.730 121.551 121.223 -0.670 0.000 2.131 59 L HA 0.134 4.476 4.340 0.004 0.000 0.206 59 L C 2.444 179.041 176.870 -0.456 0.000 1.087 59 L CA 1.567 55.932 54.840 -0.791 0.000 0.767 59 L CB -0.569 40.883 42.059 -1.011 0.000 0.917 59 L HN 0.029 nan 8.230 nan 0.000 0.441 60 Q N -0.534 119.062 119.800 -0.340 0.000 2.224 60 Q HA -0.174 4.168 4.340 0.004 0.000 0.203 60 Q C 1.641 177.554 176.000 -0.144 0.000 0.970 60 Q CA 1.625 57.288 55.803 -0.234 0.000 0.865 60 Q CB -0.044 28.566 28.738 -0.213 0.000 0.922 60 Q HN 0.496 nan 8.270 nan 0.000 0.445 61 D N -0.916 119.418 120.400 -0.110 0.000 2.123 61 D HA -0.076 4.567 4.640 0.004 0.000 0.200 61 D C 1.402 177.702 176.300 -0.000 0.000 0.976 61 D CA 0.802 54.785 54.000 -0.029 0.000 0.831 61 D CB 0.067 40.870 40.800 0.006 0.000 0.974 61 D HN 0.239 nan 8.370 nan 0.000 0.469 62 I N 0.322 120.879 120.570 -0.021 0.000 2.439 62 I HA -0.101 4.072 4.170 0.004 0.000 0.251 62 I C 2.134 178.253 176.117 0.003 0.000 1.139 62 I CA 0.580 61.918 61.300 0.063 0.000 1.438 62 I CB -0.654 37.443 38.000 0.162 0.000 1.085 62 I HN 0.019 nan 8.210 nan 0.000 0.427 63 I N 0.297 120.755 120.570 -0.187 0.000 2.928 63 I HA -0.099 4.074 4.170 0.004 0.000 0.266 63 I C 0.666 176.803 176.117 0.033 0.000 1.234 63 I CA 0.587 61.663 61.300 -0.372 0.000 1.483 63 I CB 0.037 37.776 38.000 -0.436 0.000 1.097 63 I HN 0.167 nan 8.210 nan 0.000 0.455 64 C N 1.479 120.829 119.300 0.083 0.000 2.456 64 C HA 0.719 5.182 4.460 0.004 0.000 0.325 64 C C 0.620 175.701 174.990 0.151 0.000 1.217 64 C CA -0.279 58.825 59.018 0.143 0.000 1.687 64 C CB 0.759 28.545 27.740 0.076 0.000 2.270 64 C HN 0.680 nan 8.230 nan 0.000 0.499 65 E N 1.174 121.469 120.200 0.159 0.000 1.244 65 E HA -0.146 4.207 4.350 0.004 0.000 0.188 65 E C 0.103 176.770 176.600 0.112 0.000 2.250 65 E CA 0.273 56.748 56.400 0.124 0.000 1.735 65 E CB -1.036 28.743 29.700 0.132 0.000 1.137 65 E HN 0.519 nan 8.360 nan 0.000 0.992 66 D N 2.245 122.709 120.400 0.108 0.000 2.317 66 D HA -0.105 4.537 4.640 0.004 0.000 0.211 66 D C 1.771 178.121 176.300 0.083 0.000 0.966 66 D CA 1.703 55.749 54.000 0.077 0.000 0.876 66 D CB 0.243 41.078 40.800 0.058 0.000 0.927 66 D HN 0.326 nan 8.370 nan 0.000 0.519 67 S N 0.272 116.066 115.700 0.156 0.000 2.472 67 S HA -0.302 4.170 4.470 0.004 0.000 0.292 67 S C 1.216 175.998 174.600 0.304 0.000 1.175 67 S CA 2.323 60.716 58.200 0.321 0.000 1.249 67 S CB -1.754 61.733 63.200 0.479 0.000 1.208 67 S HN 0.518 nan 8.310 nan 0.000 0.442 68 T N 2.082 116.725 114.554 0.148 0.000 2.928 68 T HA 0.433 4.785 4.350 0.004 0.000 0.305 68 T C -0.323 174.327 174.700 -0.084 0.000 1.035 68 T CA -0.032 62.066 62.100 -0.003 0.000 1.145 68 T CB -0.282 68.585 68.868 -0.002 0.000 0.963 68 T HN 0.380 nan 8.240 nan 0.000 0.545 69 L N 4.564 125.681 121.223 -0.177 0.000 2.279 69 L HA 0.585 4.928 4.340 0.004 0.000 0.262 69 L C 0.093 176.815 176.870 -0.247 0.000 1.019 69 L CA -1.509 53.168 54.840 -0.272 0.000 0.823 69 L CB 1.588 43.432 42.059 -0.358 0.000 1.358 69 L HN 0.465 nan 8.230 nan 0.000 0.432 91 S N 3.565 119.030 115.700 -0.392 0.000 2.561 91 S HA 0.812 5.284 4.470 0.004 0.000 0.303 91 S C -0.756 173.653 174.600 -0.318 0.000 1.110 91 S CA -0.538 57.455 58.200 -0.345 0.000 1.034 91 S CB 1.606 64.723 63.200 -0.138 0.000 1.010 91 S HN 0.168 nan 8.310 nan 0.000 0.482 92 F N 2.288 122.258 119.950 0.033 0.000 2.399 92 F HA 0.666 5.196 4.527 0.004 0.000 0.342 92 F C 1.390 177.191 175.800 0.002 0.000 1.106 92 F CA 0.270 58.294 58.000 0.040 0.000 1.196 92 F CB 1.066 40.135 39.000 0.116 0.000 1.163 92 F HN 0.937 nan 8.300 nan 0.000 0.547 93 G N 1.361 110.249 108.800 0.147 0.000 3.364 93 G HA2 0.190 4.153 3.960 0.004 0.000 0.191 93 G HA3 0.190 4.153 3.960 0.004 0.000 0.191 93 G C -0.626 174.239 174.900 -0.058 0.000 1.352 93 G CA -0.546 44.572 45.100 0.030 0.000 0.758 93 G HN 0.328 nan 8.290 nan 0.000 0.730 94 K N 0.826 121.143 120.400 -0.140 0.000 2.448 94 K HA 0.206 4.529 4.320 0.004 0.000 0.278 94 K C -0.768 175.540 176.600 -0.487 0.000 1.009 94 K CA -0.056 56.052 56.287 -0.299 0.000 0.995 94 K CB 0.714 33.023 32.500 -0.318 0.000 0.917 94 K HN 0.307 nan 8.250 nan 0.000 0.481 95 I N 4.067 124.355 120.570 -0.469 0.000 2.437 95 I HA 0.260 4.432 4.170 0.004 0.000 0.298 95 I C -1.113 174.734 176.117 -0.449 0.000 0.984 95 I CA -0.828 60.223 61.300 -0.414 0.000 1.214 95 I CB 0.809 38.636 38.000 -0.287 0.000 1.365 95 I HN 0.514 nan 8.210 nan 0.000 0.469 96 Y N 5.529 125.854 120.300 0.043 0.000 2.409 96 Y HA 0.534 5.086 4.550 0.004 0.000 0.343 96 Y C -0.482 175.473 175.900 0.091 0.000 0.973 96 Y CA -1.186 56.959 58.100 0.074 0.000 1.064 96 Y CB 1.960 40.504 38.460 0.141 0.000 1.207 96 Y HN 0.221 nan 8.280 nan 0.000 0.452 97 V N 0.207 120.241 119.914 0.199 0.000 2.384 97 V HA 0.501 4.623 4.120 0.004 0.000 0.287 97 V C -0.016 176.155 176.094 0.128 0.000 1.020 97 V CA -0.890 61.475 62.300 0.108 0.000 0.850 97 V CB 0.733 32.557 31.823 0.002 0.000 0.987 97 V HN 0.813 nan 8.190 nan 0.000 0.436 98 T N 3.303 117.946 114.554 0.149 0.000 2.813 98 T HA 0.239 4.592 4.350 0.004 0.000 0.297 98 T C 0.227 174.930 174.700 0.005 0.000 1.036 98 T CA -0.584 61.588 62.100 0.120 0.000 1.044 98 T CB 0.463 69.437 68.868 0.176 0.000 0.993 98 T HN 0.607 nan 8.240 nan 0.000 0.535 99 K N 2.572 122.958 120.400 -0.023 0.000 2.349 99 K HA 0.210 4.533 4.320 0.004 0.000 0.289 99 K C -2.384 174.099 176.600 -0.195 0.000 1.064 99 K CA -2.005 54.184 56.287 -0.164 0.000 0.947 99 K CB 0.460 32.934 32.500 -0.043 0.000 1.007 99 K HN 0.352 nan 8.250 nan 0.000 0.478 100 P HA -0.156 nan 4.420 nan 0.000 0.267 100 P C -0.347 176.829 177.300 -0.207 0.000 1.145 100 P CA 1.155 64.001 63.100 -0.422 0.000 0.753 100 P CB 0.365 31.499 31.700 -0.944 0.000 0.748 101 M N 0.936 120.455 119.600 -0.136 0.000 2.682 101 M HA 0.410 4.893 4.480 0.004 0.000 0.272 101 M C -0.814 175.488 176.300 0.003 0.000 1.232 101 M CA -1.073 54.206 55.300 -0.036 0.000 0.849 101 M CB 2.531 35.135 32.600 0.007 0.000 1.695 101 M HN 0.044 nan 8.290 nan 0.000 0.481 102 V N -0.814 119.128 119.914 0.047 0.000 2.823 102 V HA 0.719 4.842 4.120 0.004 0.000 0.312 102 V C -1.139 174.984 176.094 0.048 0.000 1.072 102 V CA -0.638 61.695 62.300 0.055 0.000 0.937 102 V CB 1.977 33.842 31.823 0.070 0.000 1.013 102 V HN 0.858 nan 8.190 nan 0.000 0.430 103 N N 2.413 121.129 118.700 0.026 0.000 2.626 103 N HA 0.313 5.056 4.740 0.004 0.000 0.249 103 N C -0.488 175.023 175.510 0.002 0.000 1.021 103 N CA -0.355 52.700 53.050 0.009 0.000 0.886 103 N CB 1.059 39.536 38.487 -0.016 0.000 1.149 103 N HN 0.847 nan 8.380 nan 0.000 0.517 104 E N 0.336 120.531 120.200 -0.008 0.000 2.360 104 E HA 0.054 4.407 4.350 0.004 0.000 0.269 104 E C 0.212 176.802 176.600 -0.016 0.000 1.022 104 E CA -0.143 56.244 56.400 -0.022 0.000 0.887 104 E CB 0.685 30.357 29.700 -0.047 0.000 0.990 104 E HN 0.545 nan 8.360 nan 0.000 0.426 105 S N 2.123 117.814 115.700 -0.014 0.000 2.560 105 S HA -0.053 4.420 4.470 0.004 0.000 0.284 105 S C 0.197 174.788 174.600 -0.015 0.000 1.327 105 S CA -0.403 57.791 58.200 -0.011 0.000 1.055 105 S CB 0.355 63.549 63.200 -0.010 0.000 0.868 105 S HN 0.569 nan 8.310 nan 0.000 0.506 106 D N 1.089 121.482 120.400 -0.011 0.000 2.890 106 D HA 0.005 4.648 4.640 0.004 0.000 0.226 106 D C 0.093 176.384 176.300 -0.014 0.000 1.207 106 D CA 2.080 56.073 54.000 -0.011 0.000 0.764 106 D CB -1.213 39.580 40.800 -0.011 0.000 0.948 106 D HN 1.123 nan 8.370 nan 0.000 0.404 107 G N -1.420 107.372 108.800 -0.013 0.000 2.547 107 G HA2 0.502 4.465 3.960 0.004 0.000 0.291 107 G HA3 0.502 4.465 3.960 0.004 0.000 0.291 107 G C -0.330 174.568 174.900 -0.004 0.000 1.471 107 G CA -0.285 44.806 45.100 -0.016 0.000 0.798 107 G HN 0.303 nan 8.290 nan 0.000 0.504 108 V N -0.521 119.399 119.914 0.010 0.000 3.596 108 V HA 0.583 4.706 4.120 0.004 0.000 0.288 108 V C 1.114 177.236 176.094 0.045 0.000 1.021 108 V CA -0.447 61.871 62.300 0.030 0.000 1.020 108 V CB 1.452 33.307 31.823 0.054 0.000 1.243 108 V HN 0.733 nan 8.190 nan 0.000 0.433 109 T N 0.296 114.879 114.554 0.049 0.000 2.780 109 T HA 0.366 4.718 4.350 0.004 0.000 0.294 109 T C -0.750 174.016 174.700 0.110 0.000 0.949 109 T CA 0.207 62.342 62.100 0.058 0.000 1.074 109 T CB -0.341 68.540 68.868 0.021 0.000 0.910 109 T HN 0.752 nan 8.240 nan 0.000 0.501 110 H N 1.820 120.884 119.070 -0.010 0.000 2.622 110 H HA 0.636 5.195 4.556 0.004 0.000 0.363 110 H C -0.371 174.936 175.328 -0.036 0.000 1.151 110 H CA -0.632 55.410 56.048 -0.011 0.000 1.184 110 H CB 1.356 31.119 29.762 0.002 0.000 1.643 110 H HN 0.689 nan 8.280 nan 0.000 0.531 111 A N 4.329 126.901 122.820 -0.414 0.000 2.457 111 A HA 0.267 4.590 4.320 0.004 0.000 0.298 111 A C -0.650 176.685 177.584 -0.415 0.000 1.288 111 A CA -0.363 51.438 52.037 -0.394 0.000 0.956 111 A CB -0.856 17.830 19.000 -0.525 0.000 1.135 111 A HN 0.566 nan 8.150 nan 0.000 0.535 112 L N 4.607 125.724 121.223 -0.177 0.000 2.295 112 L HA 0.401 4.744 4.340 0.004 0.000 0.288 112 L C -0.843 176.067 176.870 0.068 0.000 1.079 112 L CA 0.033 54.868 54.840 -0.009 0.000 0.830 112 L CB -0.532 41.556 42.059 0.049 0.000 1.200 112 L HN 0.594 nan 8.230 nan 0.000 0.438 113 Y N 6.933 127.407 120.300 0.289 0.000 2.299 113 Y HA 0.281 4.834 4.550 0.004 0.000 0.326 113 Y C -1.222 174.879 175.900 0.334 0.000 1.164 113 Y CA -1.457 56.844 58.100 0.336 0.000 1.234 113 Y CB 0.500 39.041 38.460 0.135 0.000 1.219 113 Y HN 0.576 nan 8.280 nan 0.000 0.497 114 P HA -0.325 nan 4.420 nan 0.000 0.216 114 P C 1.473 178.857 177.300 0.141 0.000 1.167 114 P CA 1.781 64.901 63.100 0.033 0.000 0.933 114 P CB 0.250 31.864 31.700 -0.143 0.000 0.793 115 Q N -0.180 119.705 119.800 0.142 0.000 2.173 115 Q HA -0.249 4.094 4.340 0.004 0.000 0.208 115 Q C 2.129 178.219 176.000 0.150 0.000 0.989 115 Q CA 2.045 57.920 55.803 0.120 0.000 0.872 115 Q CB -0.900 27.888 28.738 0.083 0.000 0.909 115 Q HN 0.351 nan 8.270 nan 0.000 0.420 116 E N -1.238 119.083 120.200 0.201 0.000 2.031 116 E HA -0.183 4.169 4.350 0.004 0.000 0.193 116 E C 1.744 178.452 176.600 0.180 0.000 0.994 116 E CA 1.145 57.661 56.400 0.195 0.000 0.800 116 E CB -0.307 29.534 29.700 0.235 0.000 0.752 116 E HN 0.438 nan 8.360 nan 0.000 0.447 117 A N 0.947 123.892 122.820 0.208 0.000 1.972 117 A HA -0.163 4.160 4.320 0.004 0.000 0.219 117 A C 2.113 179.795 177.584 0.163 0.000 1.169 117 A CA 1.320 53.470 52.037 0.188 0.000 0.635 117 A CB -0.440 18.711 19.000 0.251 0.000 0.810 117 A HN 0.176 nan 8.150 nan 0.000 0.446 118 R N -1.455 119.140 120.500 0.160 0.000 2.189 118 R HA 0.030 4.372 4.340 0.004 0.000 0.218 118 R C 1.536 177.928 176.300 0.154 0.000 1.074 118 R CA 0.880 57.068 56.100 0.147 0.000 0.991 118 R CB -0.219 30.159 30.300 0.130 0.000 0.883 118 R HN 0.429 nan 8.270 nan 0.000 0.457 119 L N 0.200 121.519 121.223 0.160 0.000 2.185 119 L HA -0.011 4.331 4.340 0.004 0.000 0.198 119 L C 1.660 178.694 176.870 0.273 0.000 1.079 119 L CA 1.401 56.353 54.840 0.186 0.000 0.780 119 L CB -0.108 42.042 42.059 0.152 0.000 0.955 119 L HN 0.019 nan 8.230 nan 0.000 0.462 120 R N -0.015 120.602 120.500 0.195 0.000 2.547 120 R HA 0.187 4.529 4.340 0.004 0.000 0.258 120 R C -0.219 176.018 176.300 -0.106 0.000 1.115 120 R CA -0.009 56.147 56.100 0.093 0.000 1.152 120 R CB -1.147 29.161 30.300 0.014 0.000 1.221 120 R HN 0.313 nan 8.270 nan 0.000 0.539 121 N N 1.178 119.928 118.700 0.083 0.000 2.714 121 N HA -0.191 4.551 4.740 0.004 0.000 0.252 121 N C -0.472 175.040 175.510 0.004 0.000 1.014 121 N CA 0.172 53.264 53.050 0.069 0.000 0.735 121 N CB -0.660 37.916 38.487 0.147 0.000 0.924 121 N HN 0.359 nan 8.380 nan 0.000 0.540 122 L N -0.679 120.571 121.223 0.045 0.000 2.970 122 L HA 0.523 4.865 4.340 0.004 0.000 0.214 122 L C 0.814 177.747 176.870 0.105 0.000 1.317 122 L CA -0.486 54.386 54.840 0.054 0.000 1.187 122 L CB 0.692 42.792 42.059 0.068 0.000 2.155 122 L HN -0.068 nan 8.230 nan 0.000 0.554 123 T N -0.903 113.723 114.554 0.120 0.000 2.906 123 T HA 0.201 4.553 4.350 0.004 0.000 0.302 123 T C -0.996 173.815 174.700 0.186 0.000 1.002 123 T CA -0.288 61.906 62.100 0.155 0.000 0.988 123 T CB 0.481 69.422 68.868 0.123 0.000 0.972 123 T HN 0.252 nan 8.240 nan 0.000 0.447 124 Y N 4.469 124.830 120.300 0.101 0.000 2.576 124 Y HA 0.348 4.900 4.550 0.004 0.000 0.348 124 Y C 0.447 176.398 175.900 0.086 0.000 1.212 124 Y CA -0.035 58.114 58.100 0.080 0.000 1.683 124 Y CB -0.308 38.187 38.460 0.058 0.000 1.484 124 Y HN 0.607 nan 8.280 nan 0.000 0.477 125 S N 3.129 118.784 115.700 -0.074 0.000 2.575 125 S HA 0.648 5.121 4.470 0.004 0.000 0.278 125 S C -0.555 173.988 174.600 -0.097 0.000 1.139 125 S CA -0.633 57.552 58.200 -0.024 0.000 0.954 125 S CB 1.005 64.252 63.200 0.077 0.000 1.054 125 S HN 0.586 nan 8.310 nan 0.000 0.483 126 S N 2.685 118.334 115.700 -0.083 0.000 2.632 126 S HA 0.764 5.236 4.470 0.004 0.000 0.267 126 S C 0.691 175.303 174.600 0.021 0.000 1.276 126 S CA -0.435 57.734 58.200 -0.052 0.000 0.998 126 S CB 0.484 63.650 63.200 -0.058 0.000 0.953 126 S HN 1.310 nan 8.310 nan 0.000 0.547 127 G N 0.445 109.275 108.800 0.049 0.000 2.448 127 G HA2 0.520 4.482 3.960 0.004 0.000 0.285 127 G HA3 0.520 4.482 3.960 0.004 0.000 0.285 127 G C -0.757 174.056 174.900 -0.144 0.000 1.176 127 G CA -0.695 44.418 45.100 0.023 0.000 0.852 127 G HN 0.491 nan 8.290 nan 0.000 0.530 128 L N 0.574 121.605 121.223 -0.319 0.000 2.343 128 L HA 0.632 4.974 4.340 0.004 0.000 0.275 128 L C -0.490 176.036 176.870 -0.574 0.000 1.056 128 L CA -0.741 53.910 54.840 -0.315 0.000 0.804 128 L CB 0.895 42.824 42.059 -0.216 0.000 1.203 128 L HN 0.428 nan 8.230 nan 0.000 0.440 129 F N 1.088 121.108 119.950 0.117 0.000 2.588 129 F HA 0.587 5.117 4.527 0.004 0.000 0.314 129 F C -0.272 175.575 175.800 0.079 0.000 1.134 129 F CA -0.830 57.277 58.000 0.178 0.000 0.961 129 F CB 2.259 41.438 39.000 0.299 0.000 1.239 129 F HN 0.011 nan 8.300 nan 0.000 0.448 130 V N 1.419 121.493 119.914 0.268 0.000 2.735 130 V HA 0.311 4.433 4.120 0.004 0.000 0.310 130 V C -1.077 175.109 176.094 0.152 0.000 1.061 130 V CA -0.893 61.473 62.300 0.109 0.000 0.913 130 V CB 2.262 34.154 31.823 0.115 0.000 1.005 130 V HN 0.542 nan 8.190 nan 0.000 0.428 131 D N 2.768 123.198 120.400 0.049 0.000 2.402 131 D HA 0.331 4.974 4.640 0.004 0.000 0.235 131 D C -0.326 176.030 176.300 0.093 0.000 1.226 131 D CA 0.345 54.388 54.000 0.072 0.000 0.918 131 D CB 0.807 41.605 40.800 -0.004 0.000 1.043 131 D HN 0.253 nan 8.370 nan 0.000 0.506 132 V N 3.588 123.559 119.914 0.095 0.000 2.407 132 V HA 0.321 4.443 4.120 0.004 0.000 0.278 132 V C 0.485 176.557 176.094 -0.037 0.000 1.037 132 V CA -0.631 61.673 62.300 0.005 0.000 0.900 132 V CB 1.310 33.147 31.823 0.024 0.000 0.983 132 V HN 0.248 nan 8.190 nan 0.000 0.459 133 K N 4.450 124.794 120.400 -0.094 0.000 2.207 133 K HA 0.551 4.873 4.320 0.004 0.000 0.255 133 K C -0.206 176.332 176.600 -0.104 0.000 0.941 133 K CA -0.973 55.271 56.287 -0.073 0.000 0.825 133 K CB 2.025 34.493 32.500 -0.054 0.000 1.119 133 K HN 0.670 nan 8.250 nan 0.000 0.430 165 V N 1.939 122.042 119.914 0.314 0.000 2.841 165 V HA 0.451 4.573 4.120 0.004 0.000 0.310 165 V C -1.457 174.963 176.094 0.542 0.000 1.090 165 V CA -0.829 61.691 62.300 0.367 0.000 0.930 165 V CB 1.853 33.822 31.823 0.244 0.000 1.014 165 V HN 0.209 nan 8.190 nan 0.000 0.425 166 F N 6.309 126.449 119.950 0.317 0.000 2.405 166 F HA 0.589 5.118 4.527 0.004 0.000 0.355 166 F C 0.134 175.931 175.800 -0.005 0.000 1.121 166 F CA -0.856 57.223 58.000 0.131 0.000 1.112 166 F CB 0.881 39.981 39.000 0.167 0.000 1.126 166 F HN 0.278 nan 8.300 nan 0.000 0.481 167 I N 7.153 127.307 120.570 -0.693 0.000 2.886 167 I HA 0.317 4.490 4.170 0.004 0.000 0.311 167 I C 0.886 176.487 176.117 -0.859 0.000 1.287 167 I CA -0.110 60.828 61.300 -0.604 0.000 0.995 167 I CB -0.632 37.202 38.000 -0.275 0.000 1.962 167 I HN 0.818 nan 8.210 nan 0.000 0.586 168 G N 3.885 111.799 108.800 -1.476 0.000 2.682 168 G HA2 -0.259 3.704 3.960 0.004 0.000 0.256 168 G HA3 -0.259 3.704 3.960 0.004 0.000 0.256 168 G C -0.080 174.546 174.900 -0.457 0.000 1.333 168 G CA -0.532 44.057 45.100 -0.851 0.000 0.904 168 G HN 0.592 nan 8.290 nan 0.000 0.569 169 R N -0.990 119.447 120.500 -0.105 0.000 2.534 169 R HA 0.551 4.893 4.340 0.004 0.000 0.301 169 R C -0.658 175.678 176.300 0.060 0.000 0.961 169 R CA -0.952 55.159 56.100 0.018 0.000 0.871 169 R CB 2.021 32.377 30.300 0.094 0.000 1.170 169 R HN 0.587 nan 8.270 nan 0.000 0.446 170 L N 4.236 125.515 121.223 0.093 0.000 2.275 170 L HA 0.449 4.792 4.340 0.004 0.000 0.288 170 L C -2.510 174.484 176.870 0.207 0.000 1.046 170 L CA -1.857 53.087 54.840 0.174 0.000 0.805 170 L CB 1.115 43.287 42.059 0.188 0.000 1.193 170 L HN 0.375 nan 8.230 nan 0.000 0.426 171 P HA 0.122 nan 4.420 nan 0.000 0.267 171 P C -0.856 176.739 177.300 0.492 0.000 1.205 171 P CA 0.279 63.567 63.100 0.312 0.000 0.765 171 P CB 0.363 32.211 31.700 0.247 0.000 0.828 172 I N 4.109 124.906 120.570 0.377 0.000 2.336 172 I HA 0.279 4.451 4.170 0.004 0.000 0.292 172 I C 0.734 176.685 176.117 -0.277 0.000 0.991 172 I CA -0.713 60.699 61.300 0.187 0.000 1.227 172 I CB 1.220 39.311 38.000 0.151 0.000 1.366 172 I HN 0.380 nan 8.210 nan 0.000 0.466 173 M N 6.659 125.458 119.600 -1.334 0.000 2.246 173 M HA 0.134 4.616 4.480 0.004 0.000 0.350 173 M C -0.978 174.786 176.300 -0.892 0.000 1.406 173 M CA -0.358 53.898 55.300 -1.741 0.000 1.089 173 M CB 0.580 31.931 32.600 -2.082 0.000 1.782 173 M HN 0.374 nan 8.290 nan 0.000 0.457 174 L N 6.187 126.898 121.223 -0.853 0.000 2.418 174 L HA 0.178 4.520 4.340 0.004 0.000 0.274 174 L C 0.854 177.424 176.870 -0.501 0.000 1.135 174 L CA 0.993 55.409 54.840 -0.706 0.000 0.870 174 L CB 0.224 41.646 42.059 -1.062 0.000 1.154 174 L HN 1.010 nan 8.230 nan 0.000 0.462 175 R N 0.513 120.839 120.500 -0.290 0.000 3.203 175 R HA -0.149 4.193 4.340 0.004 0.000 0.495 175 R C 0.462 176.705 176.300 -0.096 0.000 0.723 175 R CA 0.992 56.993 56.100 -0.165 0.000 1.336 175 R CB -1.699 28.498 30.300 -0.172 0.000 2.046 175 R HN 0.834 nan 8.270 nan 0.000 0.435 176 S N -0.500 115.138 115.700 -0.103 0.000 2.602 176 S HA 0.216 4.689 4.470 0.004 0.000 0.257 176 S C 1.257 175.901 174.600 0.074 0.000 1.250 176 S CA -0.033 58.186 58.200 0.031 0.000 0.986 176 S CB 0.664 63.951 63.200 0.145 0.000 1.040 176 S HN 0.307 nan 8.310 nan 0.000 0.562 177 K N 0.504 120.983 120.400 0.131 0.000 1.991 177 K HA -0.098 4.225 4.320 0.004 0.000 0.212 177 K C 2.043 178.677 176.600 0.056 0.000 1.049 177 K CA 1.761 58.099 56.287 0.086 0.000 0.932 177 K CB -0.449 32.099 32.500 0.080 0.000 0.717 177 K HN 0.485 nan 8.250 nan 0.000 0.441 178 N N 0.530 119.273 118.700 0.071 0.000 2.331 178 N HA -0.095 4.648 4.740 0.004 0.000 0.180 178 N C 0.627 176.061 175.510 -0.128 0.000 1.019 178 N CA 0.372 53.414 53.050 -0.014 0.000 0.881 178 N CB -0.561 37.931 38.487 0.009 0.000 0.972 178 N HN 0.228 nan 8.380 nan 0.000 0.435 179 C N 1.131 120.412 119.300 -0.032 0.000 2.642 179 C HA 0.011 4.473 4.460 0.004 0.000 0.420 179 C C 1.838 176.822 174.990 -0.010 0.000 1.349 179 C CA -0.680 58.343 59.018 0.008 0.000 1.821 179 C CB -1.104 26.701 27.740 0.108 0.000 2.637 179 C HN 0.472 nan 8.230 nan 0.000 0.605 180 Y N 3.067 123.493 120.300 0.209 0.000 2.165 180 Y HA -0.128 4.424 4.550 0.004 0.000 0.286 180 Y C 2.138 178.101 175.900 0.104 0.000 1.155 180 Y CA 1.830 60.027 58.100 0.162 0.000 1.164 180 Y CB -0.323 38.295 38.460 0.262 0.000 0.978 180 Y HN 0.652 nan 8.280 nan 0.000 0.513 181 L N 0.075 121.426 121.223 0.214 0.000 2.633 181 L HA -0.135 4.207 4.340 0.004 0.000 0.235 181 L C 2.159 179.055 176.870 0.043 0.000 1.163 181 L CA 0.943 55.840 54.840 0.094 0.000 0.859 181 L CB -0.930 41.143 42.059 0.023 0.000 0.973 181 L HN 0.225 nan 8.230 nan 0.000 0.451 182 S N -0.067 115.665 115.700 0.053 0.000 2.469 182 S HA -0.145 4.328 4.470 0.004 0.000 0.238 182 S C 1.246 175.870 174.600 0.039 0.000 0.998 182 S CA 1.094 59.314 58.200 0.033 0.000 0.957 182 S CB -0.143 63.079 63.200 0.038 0.000 0.764 182 S HN 0.601 nan 8.310 nan 0.000 0.514 183 E N 0.391 120.625 120.200 0.057 0.000 2.715 183 E HA 0.499 4.851 4.350 0.004 0.000 0.224 183 E C -0.030 176.593 176.600 0.039 0.000 0.962 183 E CA 0.111 56.541 56.400 0.050 0.000 1.145 183 E CB 1.068 30.807 29.700 0.066 0.000 1.083 183 E HN 0.518 nan 8.360 nan 0.000 0.506 184 A N 1.511 124.350 122.820 0.031 0.000 2.331 184 A HA 0.471 4.793 4.320 0.004 0.000 0.283 184 A C 0.722 178.292 177.584 -0.023 0.000 1.142 184 A CA -0.429 51.614 52.037 0.009 0.000 0.812 184 A CB 0.132 19.138 19.000 0.010 0.000 1.074 184 A HN 0.165 nan 8.150 nan 0.000 0.497 185 T N -0.396 114.142 114.554 -0.026 0.000 2.766 185 T HA 0.160 4.513 4.350 0.004 0.000 0.295 185 T C 0.934 175.594 174.700 -0.067 0.000 1.024 185 T CA 0.470 62.548 62.100 -0.037 0.000 1.018 185 T CB 0.683 69.537 68.868 -0.023 0.000 1.002 185 T HN 0.711 nan 8.240 nan 0.000 0.532 186 E N 0.211 120.369 120.200 -0.070 0.000 2.015 186 E HA -0.160 4.193 4.350 0.004 0.000 0.191 186 E C 2.458 179.016 176.600 -0.071 0.000 0.991 186 E CA 1.564 57.893 56.400 -0.119 0.000 0.802 186 E CB -0.326 29.324 29.700 -0.085 0.000 0.759 186 E HN 0.861 nan 8.360 nan 0.000 0.447 187 S N 0.987 116.716 115.700 0.047 0.000 2.383 187 S HA -0.220 4.252 4.470 0.004 0.000 0.229 187 S C 1.708 176.336 174.600 0.047 0.000 1.030 187 S CA 1.470 59.745 58.200 0.124 0.000 1.002 187 S CB -0.447 62.790 63.200 0.062 0.000 0.829 187 S HN 0.224 nan 8.310 nan 0.000 0.467 188 D N 1.693 122.084 120.400 -0.015 0.000 2.133 188 D HA -0.117 4.526 4.640 0.004 0.000 0.192 188 D C 1.929 178.184 176.300 -0.075 0.000 1.001 188 D CA 1.562 55.534 54.000 -0.047 0.000 0.844 188 D CB -0.302 40.471 40.800 -0.046 0.000 0.944 188 D HN 0.409 nan 8.370 nan 0.000 0.447 189 L N -0.384 120.767 121.223 -0.120 0.000 1.961 189 L HA -0.231 4.112 4.340 0.004 0.000 0.210 189 L C 2.602 179.385 176.870 -0.144 0.000 1.072 189 L CA 1.241 55.973 54.840 -0.180 0.000 0.749 189 L CB -0.773 41.102 42.059 -0.306 0.000 0.889 189 L HN 0.134 nan 8.230 nan 0.000 0.432 190 Y N 0.165 120.407 120.300 -0.097 0.000 2.062 190 Y HA -0.434 4.118 4.550 0.004 0.000 0.276 190 Y C 2.799 178.641 175.900 -0.096 0.000 1.189 190 Y CA 1.950 59.991 58.100 -0.098 0.000 1.130 190 Y CB -0.308 38.094 38.460 -0.097 0.000 0.959 190 Y HN 0.137 nan 8.280 nan 0.000 0.499 191 K N 0.580 121.017 120.400 0.061 0.000 2.103 191 K HA -0.193 4.130 4.320 0.004 0.000 0.207 191 K C 1.502 178.057 176.600 -0.075 0.000 1.048 191 K CA 1.356 57.630 56.287 -0.022 0.000 0.930 191 K CB -0.331 32.138 32.500 -0.051 0.000 0.716 191 K HN 0.316 nan 8.250 nan 0.000 0.444 192 L N 0.854 122.015 121.223 -0.103 0.000 2.610 192 L HA 0.032 4.374 4.340 0.004 0.000 0.232 192 L C 0.173 176.999 176.870 -0.073 0.000 1.149 192 L CA 0.453 55.204 54.840 -0.149 0.000 0.872 192 L CB -0.154 41.803 42.059 -0.170 0.000 0.992 192 L HN 0.165 nan 8.230 nan 0.000 0.447 193 K N 0.307 120.683 120.400 -0.040 0.000 3.117 193 K HA -0.173 4.149 4.320 0.004 0.000 0.269 193 K C -0.210 176.375 176.600 -0.025 0.000 1.098 193 K CA 0.502 56.778 56.287 -0.019 0.000 0.785 193 K CB -0.995 31.497 32.500 -0.013 0.000 1.242 193 K HN 0.221 nan 8.250 nan 0.000 0.491 194 E N 0.583 120.750 120.200 -0.054 0.000 2.176 194 E HA 0.133 4.485 4.350 0.004 0.000 0.267 194 E C -0.574 175.939 176.600 -0.144 0.000 0.893 194 E CA -0.608 55.749 56.400 -0.072 0.000 0.761 194 E CB 1.716 31.375 29.700 -0.069 0.000 1.133 194 E HN 0.303 nan 8.360 nan 0.000 0.409 195 C N 6.239 125.477 119.300 -0.103 0.000 2.633 195 C HA 0.159 4.621 4.460 0.004 0.000 0.415 195 C C -1.184 173.675 174.990 -0.217 0.000 1.393 195 C CA -1.172 57.767 59.018 -0.131 0.000 1.700 195 C CB -0.162 27.567 27.740 -0.018 0.000 2.541 195 C HN 0.506 nan 8.230 nan 0.000 0.603 196 P HA 0.088 nan 4.420 nan 0.000 0.255 196 P C 0.428 177.397 177.300 -0.552 0.000 1.427 196 P CA 0.787 63.575 63.100 -0.520 0.000 0.863 196 P CB -0.243 30.994 31.700 -0.770 0.000 1.444 197 F N -0.334 119.553 119.950 -0.104 0.000 2.602 197 F HA 0.161 4.690 4.527 0.004 0.000 0.284 197 F C 1.092 176.986 175.800 0.158 0.000 1.111 197 F CA -0.425 57.560 58.000 -0.024 0.000 1.405 197 F CB -0.408 38.459 39.000 -0.223 0.000 1.121 197 F HN -0.140 nan 8.300 nan 0.000 0.603 198 D N 1.946 122.508 120.400 0.271 0.000 2.793 198 D HA -0.109 4.533 4.640 0.004 0.000 0.230 198 D C 1.151 177.551 176.300 0.167 0.000 1.139 198 D CA 0.378 54.511 54.000 0.222 0.000 0.838 198 D CB 0.531 41.413 40.800 0.138 0.000 1.149 198 D HN 0.093 nan 8.370 nan 0.000 0.526 199 M N 2.329 122.041 119.600 0.187 0.000 2.367 199 M HA 0.298 4.781 4.480 0.004 0.000 0.256 199 M C 0.937 177.274 176.300 0.061 0.000 1.091 199 M CA 0.561 55.930 55.300 0.115 0.000 1.049 199 M CB -0.998 31.666 32.600 0.107 0.000 1.406 199 M HN 0.330 nan 8.290 nan 0.000 0.498 200 G N 0.751 109.628 108.800 0.128 0.000 2.877 200 G HA2 0.176 4.138 3.960 0.004 0.000 0.279 200 G HA3 0.176 4.138 3.960 0.004 0.000 0.279 200 G C 0.519 175.393 174.900 -0.043 0.000 1.431 200 G CA 0.468 45.513 45.100 -0.091 0.000 0.883 200 G HN 1.662 nan 8.290 nan 0.000 0.547 201 G N -2.585 106.060 108.800 -0.257 0.000 2.192 201 G HA2 0.270 4.232 3.960 0.004 0.000 0.193 201 G HA3 0.270 4.232 3.960 0.004 0.000 0.193 201 G C 0.253 175.061 174.900 -0.153 0.000 0.999 201 G CA 0.959 45.950 45.100 -0.180 0.000 0.659 201 G HN 2.302 nan 8.290 nan 0.000 0.503 202 Y N -0.953 119.178 120.300 -0.282 0.000 2.654 202 Y HA 0.880 5.432 4.550 0.004 0.000 0.327 202 Y C -0.135 175.514 175.900 -0.418 0.000 1.122 202 Y CA -2.264 55.718 58.100 -0.197 0.000 1.227 202 Y CB 0.888 39.324 38.460 -0.041 0.000 1.370 202 Y HN -0.047 nan 8.280 nan 0.000 0.528 203 F N 0.306 120.311 119.950 0.092 0.000 2.579 203 F HA 0.626 5.156 4.527 0.004 0.000 0.324 203 F C -0.836 175.048 175.800 0.141 0.000 1.058 203 F CA -1.185 56.824 58.000 0.015 0.000 0.944 203 F CB 1.704 40.731 39.000 0.044 0.000 1.245 203 F HN 0.244 nan 8.300 nan 0.000 0.477 204 I N 3.781 124.529 120.570 0.296 0.000 2.362 204 I HA 0.368 4.541 4.170 0.004 0.000 0.289 204 I C -1.018 175.251 176.117 0.253 0.000 0.994 204 I CA -0.194 61.265 61.300 0.264 0.000 1.158 204 I CB 0.966 39.090 38.000 0.206 0.000 1.315 204 I HN 0.196 nan 8.210 nan 0.000 0.451 205 I N 6.129 126.823 120.570 0.206 0.000 2.498 205 I HA 0.282 4.454 4.170 0.004 0.000 0.290 205 I C -0.020 176.174 176.117 0.129 0.000 1.032 205 I CA -0.884 60.513 61.300 0.161 0.000 1.073 205 I CB 1.417 39.502 38.000 0.142 0.000 1.251 205 I HN 0.582 nan 8.210 nan 0.000 0.426 206 N N 5.124 123.890 118.700 0.110 0.000 2.702 206 N HA -0.246 4.497 4.740 0.004 0.000 0.261 206 N C 1.249 176.828 175.510 0.116 0.000 0.965 206 N CA 1.177 54.284 53.050 0.095 0.000 0.795 206 N CB -0.876 37.659 38.487 0.079 0.000 0.909 206 N HN 1.167 nan 8.380 nan 0.000 0.546 207 G N -1.369 107.510 108.800 0.131 0.000 2.328 207 G HA2 -0.379 3.583 3.960 0.004 0.000 0.256 207 G HA3 -0.379 3.583 3.960 0.004 0.000 0.256 207 G C 0.170 175.148 174.900 0.131 0.000 1.014 207 G CA 1.047 46.233 45.100 0.143 0.000 0.620 207 G HN 1.338 nan 8.290 nan 0.000 0.530 208 S N 0.636 116.406 115.700 0.117 0.000 2.554 208 S HA 0.588 5.061 4.470 0.004 0.000 0.278 208 S C -0.052 174.619 174.600 0.118 0.000 1.242 208 S CA -0.044 58.212 58.200 0.093 0.000 1.051 208 S CB 1.379 64.618 63.200 0.065 0.000 0.986 208 S HN 0.428 nan 8.310 nan 0.000 0.502 209 E N 3.162 123.413 120.200 0.085 0.000 2.152 209 E HA 0.241 4.594 4.350 0.004 0.000 0.285 209 E C -0.390 176.277 176.600 0.112 0.000 1.043 209 E CA -0.548 55.929 56.400 0.129 0.000 0.839 209 E CB 0.624 30.269 29.700 -0.091 0.000 1.069 209 E HN 0.453 nan 8.360 nan 0.000 0.399 210 K N 2.347 122.876 120.400 0.215 0.000 2.159 210 K HA 0.424 4.746 4.320 0.004 0.000 0.266 210 K C -0.549 176.214 176.600 0.272 0.000 0.975 210 K CA -0.825 55.575 56.287 0.189 0.000 0.865 210 K CB 2.140 34.740 32.500 0.166 0.000 1.087 210 K HN 0.209 nan 8.250 nan 0.000 0.446 211 V N 3.978 124.015 119.914 0.204 0.000 2.459 211 V HA 0.325 4.447 4.120 0.004 0.000 0.295 211 V C 0.179 176.342 176.094 0.114 0.000 1.029 211 V CA -0.963 61.469 62.300 0.221 0.000 0.874 211 V CB 1.681 33.635 31.823 0.218 0.000 0.985 211 V HN 0.579 nan 8.190 nan 0.000 0.438 212 L N 5.611 126.901 121.223 0.111 0.000 2.315 212 L HA 0.370 4.712 4.340 0.004 0.000 0.283 212 L C -0.348 176.466 176.870 -0.093 0.000 1.089 212 L CA -0.324 54.477 54.840 -0.065 0.000 0.833 212 L CB 0.719 42.745 42.059 -0.056 0.000 1.170 212 L HN 0.436 nan 8.230 nan 0.000 0.442 213 I N 3.689 124.161 120.570 -0.163 0.000 2.352 213 I HA 0.136 4.308 4.170 0.004 0.000 0.290 213 I C 0.933 176.958 176.117 -0.152 0.000 1.036 213 I CA -0.383 60.821 61.300 -0.161 0.000 1.336 213 I CB 1.124 39.019 38.000 -0.174 0.000 1.407 213 I HN 0.585 nan 8.210 nan 0.000 0.497 214 A N 8.094 130.848 122.820 -0.111 0.000 2.540 214 A HA -0.031 4.291 4.320 0.004 0.000 0.268 214 A C 0.517 178.050 177.584 -0.085 0.000 1.061 214 A CA -0.012 51.974 52.037 -0.085 0.000 0.821 214 A CB -0.453 18.513 19.000 -0.056 0.000 0.970 214 A HN 0.633 nan 8.150 nan 0.000 0.524 215 Q N 1.879 121.623 119.800 -0.093 0.000 2.294 215 Q HA 0.184 4.526 4.340 0.004 0.000 0.257 215 Q C 0.141 176.116 176.000 -0.041 0.000 0.955 215 Q CA 0.054 55.814 55.803 -0.070 0.000 0.936 215 Q CB 1.235 29.925 28.738 -0.081 0.000 1.188 215 Q HN 0.866 nan 8.270 nan 0.000 0.420 216 E N 3.454 123.642 120.200 -0.020 0.000 2.227 216 E HA 0.346 4.698 4.350 0.004 0.000 0.282 216 E C -0.662 175.935 176.600 -0.006 0.000 1.015 216 E CA -0.441 55.955 56.400 -0.007 0.000 0.823 216 E CB 0.704 30.429 29.700 0.043 0.000 1.081 216 E HN 0.522 nan 8.360 nan 0.000 0.396 217 R N 1.598 122.085 120.500 -0.022 0.000 2.855 217 R HA 0.502 4.844 4.340 0.004 0.000 0.266 217 R C -0.959 175.326 176.300 -0.024 0.000 1.034 217 R CA -0.986 55.106 56.100 -0.013 0.000 0.944 217 R CB 1.316 31.610 30.300 -0.010 0.000 1.219 217 R HN 0.256 nan 8.270 nan 0.000 0.474 218 S N 0.120 115.815 115.700 -0.008 0.000 2.513 218 S HA 0.509 4.982 4.470 0.004 0.000 0.276 218 S C -0.104 174.480 174.600 -0.026 0.000 1.254 218 S CA -0.355 57.841 58.200 -0.007 0.000 1.053 218 S CB 0.616 63.832 63.200 0.026 0.000 0.958 218 S HN 0.669 nan 8.310 nan 0.000 0.491 219 A N 3.910 126.696 122.820 -0.058 0.000 2.498 219 A HA 0.546 4.868 4.320 0.004 0.000 0.239 219 A C 0.918 178.464 177.584 -0.062 0.000 1.068 219 A CA 0.066 52.047 52.037 -0.094 0.000 0.766 219 A CB -0.201 18.697 19.000 -0.171 0.000 1.003 219 A HN 0.915 nan 8.150 nan 0.000 0.497 220 G N 0.145 108.903 108.800 -0.071 0.000 2.580 220 G HA2 0.399 4.361 3.960 0.004 0.000 0.278 220 G HA3 0.399 4.361 3.960 0.004 0.000 0.278 220 G C 0.125 174.984 174.900 -0.068 0.000 1.212 220 G CA -0.169 44.898 45.100 -0.055 0.000 0.939 220 G HN 0.997 nan 8.290 nan 0.000 0.513 221 N N -1.871 116.767 118.700 -0.104 0.000 2.716 221 N HA -0.164 4.579 4.740 0.004 0.000 0.250 221 N C -0.503 175.042 175.510 0.058 0.000 1.033 221 N CA 1.059 54.000 53.050 -0.182 0.000 0.727 221 N CB -1.181 37.081 38.487 -0.376 0.000 0.950 221 N HN 0.541 nan 8.380 nan 0.000 0.541 222 I N -1.201 119.429 120.570 0.100 0.000 2.647 222 I HA 0.348 4.520 4.170 0.004 0.000 0.295 222 I C 0.257 176.454 176.117 0.134 0.000 1.078 222 I CA -1.164 60.232 61.300 0.160 0.000 1.048 222 I CB 2.204 40.266 38.000 0.102 0.000 1.239 222 I HN -0.289 nan 8.210 nan 0.000 0.421 223 V N 5.098 125.098 119.914 0.144 0.000 2.488 223 V HA 0.269 4.392 4.120 0.004 0.000 0.277 223 V C -0.280 175.772 176.094 -0.072 0.000 1.046 223 V CA 0.147 62.480 62.300 0.054 0.000 0.986 223 V CB 1.155 33.039 31.823 0.101 0.000 0.989 223 V HN 0.716 nan 8.190 nan 0.000 0.475 224 Q N 3.413 123.088 119.800 -0.208 0.000 2.289 224 Q HA 0.572 4.914 4.340 0.004 0.000 0.270 224 Q C -1.477 174.108 176.000 -0.691 0.000 1.038 224 Q CA -0.595 54.938 55.803 -0.450 0.000 0.812 224 Q CB 2.782 31.198 28.738 -0.536 0.000 1.300 224 Q HN 0.591 nan 8.270 nan 0.000 0.427 225 V N 2.147 121.732 119.914 -0.549 0.000 2.398 225 V HA 0.543 4.665 4.120 0.004 0.000 0.286 225 V C -0.718 175.228 176.094 -0.247 0.000 1.026 225 V CA -0.485 61.603 62.300 -0.352 0.000 0.868 225 V CB 0.532 32.280 31.823 -0.125 0.000 0.982 225 V HN 0.646 nan 8.190 nan 0.000 0.443 226 F N 3.003 122.971 119.950 0.030 0.000 2.434 226 F HA 0.444 4.974 4.527 0.004 0.000 0.355 226 F C 0.751 176.529 175.800 -0.038 0.000 1.115 226 F CA -1.082 56.920 58.000 0.003 0.000 1.010 226 F CB 1.544 40.541 39.000 -0.005 0.000 1.234 226 F HN 0.388 nan 8.300 nan 0.000 0.439 227 K N 3.777 124.243 120.400 0.109 0.000 2.524 227 K HA 0.070 4.392 4.320 0.004 0.000 0.279 227 K C -0.130 176.418 176.600 -0.088 0.000 0.993 227 K CA 0.351 56.554 56.287 -0.140 0.000 1.030 227 K CB 0.665 33.079 32.500 -0.143 0.000 0.891 227 K HN 0.558 nan 8.250 nan 0.000 0.488 228 K N 2.316 122.627 120.400 -0.148 0.000 2.624 228 K HA 0.254 4.576 4.320 0.004 0.000 0.200 228 K C -0.838 175.714 176.600 -0.081 0.000 1.036 228 K CA -0.159 56.081 56.287 -0.079 0.000 1.029 228 K CB 1.275 33.747 32.500 -0.048 0.000 1.317 228 K HN 0.877 nan 8.250 nan 0.000 0.555 229 A N 0.905 123.684 122.820 -0.068 0.000 5.100 229 A HA -0.221 4.101 4.320 0.004 0.000 0.533 229 A C 0.964 178.519 177.584 -0.047 0.000 1.142 229 A CA 0.599 52.606 52.037 -0.051 0.000 0.463 229 A CB -1.215 17.760 19.000 -0.042 0.000 3.021 229 A HN 0.722 nan 8.150 nan 0.000 0.487 230 A N -0.037 122.764 122.820 -0.033 0.000 1.832 230 A HA 0.315 4.638 4.320 0.004 0.000 0.214 230 A C 0.124 177.696 177.584 -0.020 0.000 1.204 230 A CA 1.862 53.885 52.037 -0.024 0.000 0.606 230 A CB -1.141 17.849 19.000 -0.016 0.000 0.849 230 A HN 1.084 nan 8.150 nan 0.000 0.445 231 P HA 0.130 nan 4.420 nan 0.000 0.256 231 P C -0.034 177.257 177.300 -0.015 0.000 1.384 231 P CA 0.316 63.409 63.100 -0.011 0.000 0.879 231 P CB -0.408 31.288 31.700 -0.006 0.000 1.403 232 S N 0.670 116.353 115.700 -0.029 0.000 2.601 232 S HA 0.340 4.813 4.470 0.004 0.000 0.271 232 S C -1.196 173.373 174.600 -0.052 0.000 1.305 232 S CA -0.989 57.184 58.200 -0.046 0.000 1.022 232 S CB 0.714 63.874 63.200 -0.066 0.000 0.940 232 S HN -0.047 nan 8.310 nan 0.000 0.525 233 P HA 0.099 nan 4.420 nan 0.000 0.225 233 P C 0.581 177.754 177.300 -0.211 0.000 1.156 233 P CA 0.476 63.526 63.100 -0.083 0.000 0.787 233 P CB -0.205 31.472 31.700 -0.037 0.000 0.802 234 I N -1.119 119.275 120.570 -0.292 0.000 2.312 234 I HA 0.277 4.450 4.170 0.004 0.000 0.290 234 I C 0.987 177.031 176.117 -0.121 0.000 1.008 234 I CA -0.569 60.552 61.300 -0.297 0.000 1.226 234 I CB 1.369 39.128 38.000 -0.401 0.000 1.371 234 I HN -0.211 nan 8.210 nan 0.000 0.468 235 S N 4.863 120.541 115.700 -0.035 0.000 2.362 235 S HA 0.042 4.515 4.470 0.004 0.000 0.221 235 S C 0.523 175.030 174.600 -0.155 0.000 1.032 235 S CA 0.535 58.718 58.200 -0.027 0.000 0.973 235 S CB -0.392 62.880 63.200 0.119 0.000 0.849 235 S HN 0.848 nan 8.310 nan 0.000 0.465 236 H N -1.051 118.009 119.070 -0.017 0.000 2.812 236 H HA 0.861 5.420 4.556 0.004 0.000 0.355 236 H C -1.204 174.120 175.328 -0.008 0.000 1.207 236 H CA -0.760 55.287 56.048 -0.001 0.000 1.217 236 H CB 1.806 31.562 29.762 -0.010 0.000 1.874 236 H HN 0.112 nan 8.280 nan 0.000 0.581 237 V N 0.218 120.208 119.914 0.125 0.000 2.891 237 V HA 0.640 4.762 4.120 0.004 0.000 0.304 237 V C -1.114 174.967 176.094 -0.021 0.000 1.171 237 V CA -0.740 61.593 62.300 0.056 0.000 0.943 237 V CB 1.985 33.850 31.823 0.070 0.000 1.037 237 V HN 0.983 nan 8.190 nan 0.000 0.427 238 A N 3.766 126.560 122.820 -0.043 0.000 2.318 238 A HA 0.901 5.223 4.320 0.004 0.000 0.324 238 A C -0.610 176.923 177.584 -0.085 0.000 1.170 238 A CA -0.447 51.522 52.037 -0.112 0.000 0.810 238 A CB 1.329 20.276 19.000 -0.088 0.000 1.198 238 A HN 0.789 nan 8.150 nan 0.000 0.484 239 E N 2.248 122.364 120.200 -0.140 0.000 2.292 239 E HA 0.592 4.945 4.350 0.004 0.000 0.272 239 E C -2.129 174.455 176.600 -0.026 0.000 0.881 239 E CA -0.477 55.887 56.400 -0.060 0.000 0.754 239 E CB 1.845 31.526 29.700 -0.032 0.000 1.201 239 E HN 0.645 nan 8.360 nan 0.000 0.425 240 I N 3.681 124.276 120.570 0.042 0.000 2.478 240 I HA 0.369 4.541 4.170 0.004 0.000 0.287 240 I C -0.728 175.437 176.117 0.080 0.000 1.042 240 I CA -0.647 60.707 61.300 0.091 0.000 1.067 240 I CB 1.083 39.197 38.000 0.190 0.000 1.233 240 I HN 0.448 nan 8.210 nan 0.000 0.431 241 R N 5.258 125.797 120.500 0.066 0.000 2.308 241 R HA 0.247 4.589 4.340 0.004 0.000 0.325 241 R C -0.323 175.994 176.300 0.029 0.000 1.161 241 R CA -0.240 55.891 56.100 0.051 0.000 1.022 241 R CB 0.376 30.703 30.300 0.045 0.000 1.091 241 R HN 0.641 nan 8.270 nan 0.000 0.497 242 S N 1.285 117.018 115.700 0.055 0.000 2.410 242 S HA 0.666 5.139 4.470 0.004 0.000 0.304 242 S C -0.194 174.450 174.600 0.073 0.000 1.095 242 S CA -0.742 57.498 58.200 0.065 0.000 1.089 242 S CB 1.748 65.063 63.200 0.191 0.000 0.968 242 S HN 0.561 nan 8.310 nan 0.000 0.480 243 A N 3.650 126.481 122.820 0.018 0.000 2.498 243 A HA 0.729 5.052 4.320 0.004 0.000 0.298 243 A C -0.896 176.716 177.584 0.046 0.000 1.075 243 A CA -0.967 51.107 52.037 0.062 0.000 0.714 243 A CB 1.108 20.138 19.000 0.051 0.000 1.299 243 A HN 0.818 nan 8.150 nan 0.000 0.407 244 L N 2.271 123.549 121.223 0.092 0.000 2.261 244 L HA 0.262 4.604 4.340 0.004 0.000 0.289 244 L C 1.850 178.763 176.870 0.071 0.000 1.059 244 L CA -0.242 54.646 54.840 0.080 0.000 0.816 244 L CB 1.088 43.201 42.059 0.089 0.000 1.191 244 L HN 1.025 nan 8.230 nan 0.000 0.431 245 E N 4.360 124.588 120.200 0.047 0.000 2.171 245 E HA -0.214 4.138 4.350 0.004 0.000 0.197 245 E C 0.403 177.036 176.600 0.053 0.000 0.997 245 E CA 1.314 57.739 56.400 0.041 0.000 0.810 245 E CB 0.297 30.015 29.700 0.030 0.000 0.738 245 E HN 0.688 nan 8.360 nan 0.000 0.467 246 K N -0.657 119.778 120.400 0.059 0.000 2.724 246 K HA 0.548 4.871 4.320 0.004 0.000 0.198 246 K C -0.483 176.165 176.600 0.080 0.000 1.099 246 K CA -0.150 56.175 56.287 0.064 0.000 1.025 246 K CB 0.829 33.360 32.500 0.052 0.000 1.509 246 K HN 0.090 nan 8.250 nan 0.000 0.564 247 G N 0.092 108.953 108.800 0.102 0.000 1.875 247 G HA2 0.237 4.200 3.960 0.004 0.000 0.218 247 G HA3 0.237 4.200 3.960 0.004 0.000 0.218 247 G C -0.131 174.883 174.900 0.190 0.000 1.648 247 G CA -0.195 44.987 45.100 0.137 0.000 0.941 247 G HN 0.248 nan 8.290 nan 0.000 0.689 248 S N 0.845 116.641 115.700 0.160 0.000 1.764 248 S HA -0.292 4.181 4.470 0.004 0.000 0.248 248 S C 1.169 175.797 174.600 0.047 0.000 0.823 248 S CA 2.085 60.357 58.200 0.120 0.000 1.642 248 S CB -1.056 62.282 63.200 0.231 0.000 1.142 248 S HN 2.525 nan 8.310 nan 0.000 0.495 249 R N -0.569 119.993 120.500 0.103 0.000 3.088 249 R HA -0.037 4.305 4.340 0.004 0.000 0.281 249 R C -1.236 175.079 176.300 0.025 0.000 1.097 249 R CA 0.822 56.960 56.100 0.064 0.000 0.730 249 R CB -2.357 27.958 30.300 0.025 0.000 1.449 249 R HN 0.410 nan 8.270 nan 0.000 0.402 250 F N 2.037 122.012 119.950 0.042 0.000 2.556 250 F HA 0.170 4.699 4.527 0.004 0.000 0.344 250 F C 1.107 176.934 175.800 0.045 0.000 1.255 250 F CA -0.093 57.936 58.000 0.048 0.000 1.091 250 F CB 0.391 39.419 39.000 0.048 0.000 1.325 250 F HN 0.052 nan 8.300 nan 0.000 0.627 251 I N 2.649 123.316 120.570 0.163 0.000 2.234 251 I HA 0.049 4.221 4.170 0.004 0.000 0.287 251 I C 0.618 176.804 176.117 0.115 0.000 1.131 251 I CA -0.096 61.275 61.300 0.119 0.000 1.335 251 I CB -0.411 37.634 38.000 0.075 0.000 1.511 251 I HN 0.302 nan 8.210 nan 0.000 0.588 252 S N 4.252 120.028 115.700 0.127 0.000 2.545 252 S HA 0.510 4.982 4.470 0.004 0.000 0.275 252 S C 0.312 174.949 174.600 0.061 0.000 1.299 252 S CA -0.215 58.037 58.200 0.086 0.000 1.048 252 S CB 0.423 63.662 63.200 0.064 0.000 0.938 252 S HN 0.631 nan 8.310 nan 0.000 0.496 253 T N 3.915 118.497 114.554 0.047 0.000 2.847 253 T HA 0.531 4.883 4.350 0.004 0.000 0.291 253 T C -0.650 174.066 174.700 0.026 0.000 0.998 253 T CA -0.753 61.373 62.100 0.044 0.000 0.967 253 T CB 0.985 69.888 68.868 0.057 0.000 0.954 253 T HN 0.517 nan 8.240 nan 0.000 0.441 254 L N 2.809 124.038 121.223 0.010 0.000 2.312 254 L HA 0.490 4.832 4.340 0.004 0.000 0.281 254 L C -0.106 176.776 176.870 0.020 0.000 1.070 254 L CA -0.043 54.792 54.840 -0.008 0.000 0.805 254 L CB 1.326 43.339 42.059 -0.077 0.000 1.174 254 L HN 0.710 nan 8.230 nan 0.000 0.434 255 Q N 3.148 122.967 119.800 0.031 0.000 2.342 255 Q HA 0.550 4.893 4.340 0.004 0.000 0.267 255 Q C -1.341 174.686 176.000 0.045 0.000 1.038 255 Q CA -0.887 54.939 55.803 0.040 0.000 0.832 255 Q CB 2.685 31.455 28.738 0.054 0.000 1.323 255 Q HN 0.445 nan 8.270 nan 0.000 0.448 256 V N 2.810 122.746 119.914 0.036 0.000 2.235 256 V HA 0.228 4.351 4.120 0.004 0.000 0.266 256 V C -0.501 175.628 176.094 0.058 0.000 1.055 256 V CA -0.757 61.571 62.300 0.046 0.000 0.844 256 V CB 0.274 32.111 31.823 0.024 0.000 1.097 256 V HN 0.584 nan 8.190 nan 0.000 0.453 257 K N 3.373 123.829 120.400 0.092 0.000 2.312 257 K HA 0.395 4.718 4.320 0.004 0.000 0.287 257 K C -0.433 176.243 176.600 0.127 0.000 1.062 257 K CA -0.711 55.621 56.287 0.075 0.000 0.934 257 K CB 1.751 34.280 32.500 0.049 0.000 1.027 257 K HN 0.407 nan 8.250 nan 0.000 0.478 258 L N 5.166 126.440 121.223 0.085 0.000 2.334 258 L HA 0.176 4.518 4.340 0.004 0.000 0.286 258 L C -1.023 175.915 176.870 0.112 0.000 1.108 258 L CA -0.185 54.726 54.840 0.117 0.000 0.875 258 L CB -0.553 41.559 42.059 0.087 0.000 1.246 258 L HN 0.361 nan 8.230 nan 0.000 0.439 259 Y N 3.886 124.220 120.300 0.056 0.000 2.480 259 Y HA 0.465 5.018 4.550 0.004 0.000 0.338 259 Y C 1.243 177.175 175.900 0.053 0.000 1.220 259 Y CA 0.870 59.002 58.100 0.053 0.000 1.430 259 Y CB 0.877 39.365 38.460 0.047 0.000 1.311 259 Y HN 0.856 nan 8.280 nan 0.000 0.575 260 G N 3.483 112.383 108.800 0.167 0.000 3.307 260 G HA2 -0.164 3.799 3.960 0.004 0.000 0.686 260 G HA3 -0.164 3.799 3.960 0.004 0.000 0.686 260 G C -0.287 174.662 174.900 0.082 0.000 0.983 260 G CA -0.997 44.175 45.100 0.119 0.000 0.804 260 G HN 0.616 nan 8.290 nan 0.000 0.531 261 R N 1.016 121.551 120.500 0.059 0.000 2.896 261 R HA 0.274 4.617 4.340 0.004 0.000 0.258 261 R C 0.786 177.123 176.300 0.062 0.000 1.240 261 R CA -0.487 55.643 56.100 0.050 0.000 1.109 261 R CB 0.322 30.639 30.300 0.027 0.000 1.081 261 R HN 0.678 nan 8.270 nan 0.000 0.562 262 E N 0.314 120.548 120.200 0.056 0.000 2.324 262 E HA 0.044 4.397 4.350 0.004 0.000 0.271 262 E C 0.542 177.168 176.600 0.044 0.000 1.028 262 E CA 0.983 57.416 56.400 0.055 0.000 0.890 262 E CB 0.656 30.388 29.700 0.052 0.000 1.004 262 E HN 0.702 nan 8.360 nan 0.000 0.431 263 G N 3.853 112.679 108.800 0.044 0.000 3.757 263 G HA2 -0.340 3.622 3.960 0.004 0.000 0.215 263 G HA3 -0.340 3.622 3.960 0.004 0.000 0.215 263 G C 0.443 175.370 174.900 0.044 0.000 1.411 263 G CA 0.189 45.313 45.100 0.041 0.000 0.896 263 G HN 0.704 nan 8.290 nan 0.000 0.581 264 S N 1.807 117.534 115.700 0.045 0.000 4.448 264 S HA 0.158 4.630 4.470 0.004 0.000 0.534 264 S C 1.084 175.717 174.600 0.054 0.000 1.024 264 S CA 1.205 59.436 58.200 0.051 0.000 0.994 264 S CB -0.521 62.714 63.200 0.059 0.000 0.900 264 S HN 2.098 nan 8.310 nan 0.000 0.467 265 S N 4.515 120.244 115.700 0.049 0.000 2.714 265 S HA 0.415 4.888 4.470 0.004 0.000 0.318 265 S C 0.515 175.146 174.600 0.051 0.000 1.219 265 S CA -0.199 58.029 58.200 0.046 0.000 1.175 265 S CB -0.194 63.029 63.200 0.038 0.000 0.961 265 S HN 2.183 nan 8.310 nan 0.000 0.518 266 A N 2.938 125.789 122.820 0.052 0.000 1.856 266 A HA -0.130 4.193 4.320 0.004 0.000 0.234 266 A C 0.350 177.974 177.584 0.067 0.000 1.328 266 A CA -0.188 51.881 52.037 0.054 0.000 0.673 266 A CB -1.499 17.529 19.000 0.046 0.000 1.190 266 A HN 0.871 nan 8.150 nan 0.000 0.248 267 R N 1.782 122.323 120.500 0.068 0.000 2.605 267 R HA 0.177 4.519 4.340 0.004 0.000 0.271 267 R C 0.932 177.285 176.300 0.088 0.000 1.418 267 R CA 0.716 56.867 56.100 0.085 0.000 1.102 267 R CB 0.091 30.431 30.300 0.067 0.000 1.131 267 R HN 0.874 nan 8.270 nan 0.000 0.554 268 T N 2.524 117.140 114.554 0.104 0.000 2.919 268 T HA 0.235 4.587 4.350 0.004 0.000 0.302 268 T C 0.478 175.256 174.700 0.129 0.000 1.031 268 T CA -0.348 61.805 62.100 0.088 0.000 1.127 268 T CB 0.401 69.291 68.868 0.037 0.000 0.952 268 T HN 0.363 nan 8.240 nan 0.000 0.540 269 I N 4.918 125.550 120.570 0.103 0.000 2.330 269 I HA 0.434 4.606 4.170 0.004 0.000 0.289 269 I C 0.453 176.636 176.117 0.109 0.000 1.001 269 I CA -0.800 60.572 61.300 0.120 0.000 1.193 269 I CB 1.272 39.324 38.000 0.088 0.000 1.345 269 I HN 0.592 nan 8.210 nan 0.000 0.461 270 K N 4.568 125.060 120.400 0.154 0.000 2.352 270 K HA 0.925 5.247 4.320 0.004 0.000 0.240 270 K C -0.865 175.809 176.600 0.123 0.000 1.017 270 K CA -0.864 55.491 56.287 0.114 0.000 0.851 270 K CB 2.760 35.302 32.500 0.070 0.000 1.261 270 K HN 0.639 nan 8.250 nan 0.000 0.451 271 A N 0.433 123.303 122.820 0.083 0.000 2.485 271 A HA 0.711 5.034 4.320 0.004 0.000 0.292 271 A C -1.111 176.513 177.584 0.066 0.000 1.147 271 A CA -0.683 51.400 52.037 0.075 0.000 0.750 271 A CB 1.597 20.634 19.000 0.062 0.000 1.331 271 A HN 0.571 nan 8.150 nan 0.000 0.419 272 T N 0.819 115.411 114.554 0.063 0.000 2.797 272 T HA 0.646 4.998 4.350 0.004 0.000 0.279 272 T C -0.706 174.015 174.700 0.035 0.000 0.991 272 T CA -0.180 61.949 62.100 0.048 0.000 0.979 272 T CB 0.838 69.739 68.868 0.054 0.000 0.943 272 T HN 0.442 nan 8.240 nan 0.000 0.444 273 L N 3.869 125.098 121.223 0.009 0.000 2.385 273 L HA 0.442 4.784 4.340 0.004 0.000 0.273 273 L C -2.357 174.470 176.870 -0.072 0.000 0.990 273 L CA -2.605 52.226 54.840 -0.016 0.000 0.821 273 L CB 2.180 44.223 42.059 -0.027 0.000 1.279 273 L HN 0.367 nan 8.230 nan 0.000 0.412 274 P HA -0.141 nan 4.420 nan 0.000 0.255 274 P C -0.502 176.542 177.300 -0.426 0.000 1.151 274 P CA 0.450 63.429 63.100 -0.202 0.000 0.767 274 P CB -0.266 31.281 31.700 -0.255 0.000 0.736 275 Y N 0.889 121.209 120.300 0.034 0.000 3.305 275 Y HA -0.246 4.306 4.550 0.004 0.000 0.214 275 Y C -0.647 175.286 175.900 0.055 0.000 1.185 275 Y CA -0.214 57.918 58.100 0.053 0.000 1.326 275 Y CB -2.819 35.693 38.460 0.086 0.000 1.367 275 Y HN 0.217 nan 8.280 nan 0.000 0.588 276 I N 0.625 121.228 120.570 0.055 0.000 2.493 276 I HA 0.282 4.454 4.170 0.004 0.000 0.298 276 I C 0.947 177.096 176.117 0.053 0.000 0.998 276 I CA -1.324 60.007 61.300 0.052 0.000 1.137 276 I CB 1.748 39.715 38.000 -0.054 0.000 1.310 276 I HN -0.038 nan 8.210 nan 0.000 0.445 277 K N 2.412 122.845 120.400 0.056 0.000 2.439 277 K HA 0.042 4.364 4.320 0.004 0.000 0.197 277 K C 0.390 177.004 176.600 0.024 0.000 1.041 277 K CA 0.711 57.028 56.287 0.049 0.000 0.970 277 K CB 0.003 32.534 32.500 0.051 0.000 0.773 277 K HN 0.499 nan 8.250 nan 0.000 0.479 278 Q N -0.493 119.300 119.800 -0.012 0.000 2.857 278 Q HA 0.181 4.523 4.340 0.004 0.000 0.319 278 Q C -1.418 174.566 176.000 -0.027 0.000 0.963 278 Q CA -0.932 54.861 55.803 -0.016 0.000 0.770 278 Q CB 1.722 30.437 28.738 -0.038 0.000 1.492 278 Q HN -0.014 nan 8.270 nan 0.000 0.493 279 D N 0.963 121.359 120.400 -0.008 0.000 2.264 279 D HA 0.376 5.018 4.640 0.004 0.000 0.249 279 D C -0.471 175.804 176.300 -0.041 0.000 1.070 279 D CA -0.004 53.999 54.000 0.005 0.000 0.912 279 D CB 0.965 41.792 40.800 0.046 0.000 1.193 279 D HN 0.278 nan 8.370 nan 0.000 0.427 280 I N 1.948 122.501 120.570 -0.029 0.000 2.465 280 I HA 0.252 4.424 4.170 0.004 0.000 0.291 280 I C -2.386 173.750 176.117 0.031 0.000 1.014 280 I CA -2.584 58.701 61.300 -0.026 0.000 1.093 280 I CB 1.463 39.409 38.000 -0.089 0.000 1.267 280 I HN -0.115 nan 8.210 nan 0.000 0.431 281 P HA 0.133 nan 4.420 nan 0.000 0.267 281 P C 1.096 178.423 177.300 0.045 0.000 1.200 281 P CA -0.066 63.074 63.100 0.066 0.000 0.772 281 P CB 0.683 32.435 31.700 0.086 0.000 0.855 282 I N 1.217 121.808 120.570 0.036 0.000 2.761 282 I HA -0.120 4.053 4.170 0.004 0.000 0.261 282 I C 1.518 177.654 176.117 0.032 0.000 1.198 282 I CA 0.865 62.145 61.300 -0.034 0.000 1.482 282 I CB -1.043 36.934 38.000 -0.039 0.000 1.100 282 I HN 0.073 nan 8.210 nan 0.000 0.445 283 V N -0.019 119.982 119.914 0.144 0.000 2.594 283 V HA -0.144 3.978 4.120 0.004 0.000 0.253 283 V C 2.372 178.555 176.094 0.149 0.000 1.069 283 V CA 1.337 63.758 62.300 0.203 0.000 1.082 283 V CB -1.209 30.708 31.823 0.156 0.000 0.680 283 V HN 0.468 nan 8.190 nan 0.000 0.469 284 I N -0.364 120.264 120.570 0.096 0.000 2.584 284 I HA -0.004 4.169 4.170 0.004 0.000 0.255 284 I C 2.500 178.622 176.117 0.008 0.000 1.145 284 I CA 0.877 62.225 61.300 0.080 0.000 1.462 284 I CB -0.868 37.211 38.000 0.131 0.000 1.102 284 I HN 0.252 nan 8.210 nan 0.000 0.433 285 I N 0.933 121.460 120.570 -0.072 0.000 2.252 285 I HA -0.221 3.951 4.170 0.004 0.000 0.245 285 I C 2.634 178.603 176.117 -0.246 0.000 1.102 285 I CA 1.601 62.767 61.300 -0.225 0.000 1.385 285 I CB -1.091 36.725 38.000 -0.306 0.000 1.064 285 I HN 0.087 nan 8.210 nan 0.000 0.414 286 F N 0.714 120.619 119.950 -0.075 0.000 2.146 286 F HA -0.163 4.367 4.527 0.004 0.000 0.298 286 F C 2.774 178.518 175.800 -0.093 0.000 1.096 286 F CA 0.942 58.879 58.000 -0.104 0.000 1.275 286 F CB -0.369 38.580 39.000 -0.085 0.000 1.008 286 F HN -0.058 nan 8.300 nan 0.000 0.480 287 R N 0.294 120.874 120.500 0.133 0.000 2.193 287 R HA -0.085 4.258 4.340 0.004 0.000 0.229 287 R C 1.982 178.296 176.300 0.023 0.000 1.110 287 R CA 0.971 57.113 56.100 0.069 0.000 0.988 287 R CB -0.253 30.091 30.300 0.074 0.000 0.871 287 R HN 0.246 nan 8.270 nan 0.000 0.458 288 A N -0.461 122.351 122.820 -0.013 0.000 2.178 288 A HA 0.098 4.421 4.320 0.004 0.000 0.211 288 A C 1.574 179.107 177.584 -0.084 0.000 1.157 288 A CA 0.288 52.294 52.037 -0.052 0.000 0.780 288 A CB 0.168 19.116 19.000 -0.086 0.000 0.828 288 A HN 0.278 nan 8.150 nan 0.000 0.476 289 L N -1.544 119.632 121.223 -0.079 0.000 2.667 289 L HA 0.252 4.594 4.340 0.004 0.000 0.232 289 L C 1.591 178.441 176.870 -0.033 0.000 1.138 289 L CA 0.686 55.475 54.840 -0.084 0.000 0.921 289 L CB 0.334 42.329 42.059 -0.107 0.000 1.180 289 L HN 0.563 nan 8.230 nan 0.000 0.487 290 G N 0.501 109.291 108.800 -0.017 0.000 2.254 290 G HA2 -0.258 3.704 3.960 0.004 0.000 0.225 290 G HA3 -0.258 3.704 3.960 0.004 0.000 0.225 290 G C 0.144 175.038 174.900 -0.010 0.000 1.003 290 G CA -0.427 44.667 45.100 -0.009 0.000 0.622 290 G HN 0.128 nan 8.290 nan 0.000 0.507 291 I N 2.812 123.369 120.570 -0.021 0.000 2.406 291 I HA 0.269 4.441 4.170 0.004 0.000 0.293 291 I C 1.489 177.607 176.117 0.003 0.000 1.101 291 I CA -0.222 61.053 61.300 -0.042 0.000 1.334 291 I CB 0.721 38.614 38.000 -0.178 0.000 1.421 291 I HN 0.083 nan 8.210 nan 0.000 0.513 292 I N 7.410 127.981 120.570 0.003 0.000 2.729 292 I HA 0.151 4.324 4.170 0.004 0.000 0.256 292 I C -1.681 174.444 176.117 0.014 0.000 1.115 292 I CA 0.502 61.811 61.300 0.016 0.000 1.446 292 I CB -1.635 36.373 38.000 0.013 0.000 1.176 292 I HN 0.327 nan 8.210 nan 0.000 0.446 293 P HA 0.216 nan 4.420 nan 0.000 0.296 293 P C -1.239 176.047 177.300 -0.024 0.000 1.301 293 P CA -0.538 62.554 63.100 -0.013 0.000 0.862 293 P CB 0.774 32.461 31.700 -0.023 0.000 1.046 294 D N 1.826 122.212 120.400 -0.023 0.000 2.570 294 D HA 0.254 4.896 4.640 0.004 0.000 0.243 294 D C 1.621 177.892 176.300 -0.048 0.000 1.171 294 D CA 1.610 55.592 54.000 -0.030 0.000 0.879 294 D CB -0.473 40.307 40.800 -0.034 0.000 1.143 294 D HN 0.759 nan 8.370 nan 0.000 0.511 295 G N 2.662 111.427 108.800 -0.058 0.000 2.428 295 G HA2 -0.269 3.694 3.960 0.004 0.000 0.199 295 G HA3 -0.269 3.694 3.960 0.004 0.000 0.199 295 G C 0.908 175.759 174.900 -0.083 0.000 1.005 295 G CA 0.153 45.213 45.100 -0.067 0.000 0.671 295 G HN 0.509 nan 8.290 nan 0.000 0.485 296 E N 0.310 120.464 120.200 -0.076 0.000 2.250 296 E HA 0.146 4.498 4.350 0.004 0.000 0.192 296 E C 2.518 179.069 176.600 -0.082 0.000 0.986 296 E CA 0.467 56.816 56.400 -0.084 0.000 0.849 296 E CB -0.090 29.588 29.700 -0.037 0.000 0.797 296 E HN 0.534 nan 8.360 nan 0.000 0.482 297 I N 1.441 121.939 120.570 -0.120 0.000 2.163 297 I HA -0.299 3.873 4.170 0.004 0.000 0.243 297 I C 2.298 178.249 176.117 -0.277 0.000 1.085 297 I CA 1.236 62.375 61.300 -0.268 0.000 1.347 297 I CB -0.678 37.232 38.000 -0.150 0.000 1.044 297 I HN 0.254 nan 8.210 nan 0.000 0.408 298 L N -0.117 121.012 121.223 -0.157 0.000 2.395 298 L HA -0.043 4.299 4.340 0.004 0.000 0.218 298 L C 2.350 179.127 176.870 -0.155 0.000 1.130 298 L CA 0.492 55.252 54.840 -0.133 0.000 0.826 298 L CB -0.633 41.377 42.059 -0.082 0.000 0.941 298 L HN 0.195 nan 8.230 nan 0.000 0.451 299 E N 0.101 120.187 120.200 -0.190 0.000 2.204 299 E HA -0.168 4.185 4.350 0.004 0.000 0.195 299 E C 1.946 178.392 176.600 -0.257 0.000 0.990 299 E CA 1.024 57.289 56.400 -0.225 0.000 0.821 299 E CB -0.023 29.478 29.700 -0.331 0.000 0.750 299 E HN 0.633 nan 8.360 nan 0.000 0.477 300 H N -0.994 117.939 119.070 -0.228 0.000 2.497 300 H HA 0.140 4.699 4.556 0.004 0.000 0.282 300 H C 2.070 177.420 175.328 0.037 0.000 1.003 300 H CA 0.483 56.433 56.048 -0.163 0.000 1.307 300 H CB 0.631 30.038 29.762 -0.591 0.000 1.437 300 H HN 0.143 nan 8.280 nan 0.000 0.544 301 I N -0.184 120.329 120.570 -0.095 0.000 2.726 301 I HA -0.053 4.119 4.170 0.004 0.000 0.243 301 I C 0.974 176.735 176.117 -0.594 0.000 1.082 301 I CA 0.268 61.448 61.300 -0.200 0.000 1.447 301 I CB 0.477 38.440 38.000 -0.061 0.000 1.250 301 I HN 0.053 nan 8.210 nan 0.000 0.453 302 C N 1.542 120.601 119.300 -0.402 0.000 2.200 302 C HA 0.260 4.723 4.460 0.004 0.000 0.328 302 C C 1.497 176.343 174.990 -0.240 0.000 1.148 302 C CA -0.565 58.247 59.018 -0.343 0.000 1.624 302 C CB -1.450 26.196 27.740 -0.157 0.000 2.167 302 C HN 0.393 nan 8.230 nan 0.000 0.484 303 Y N 1.602 121.959 120.300 0.094 0.000 2.314 303 Y HA 0.043 4.595 4.550 0.004 0.000 0.293 303 Y C 1.395 177.345 175.900 0.084 0.000 1.129 303 Y CA 0.504 58.676 58.100 0.120 0.000 1.201 303 Y CB 0.070 38.652 38.460 0.205 0.000 0.999 303 Y HN 0.564 nan 8.280 nan 0.000 0.541 304 D N -0.090 120.411 120.400 0.167 0.000 2.303 304 D HA 0.174 4.816 4.640 0.004 0.000 0.236 304 D C 0.678 177.021 176.300 0.072 0.000 1.068 304 D CA -0.279 53.791 54.000 0.117 0.000 0.830 304 D CB 1.960 42.821 40.800 0.101 0.000 1.109 304 D HN 0.008 nan 8.370 nan 0.000 0.496 305 V N 1.935 121.894 119.914 0.075 0.000 3.461 305 V HA 0.034 4.157 4.120 0.004 0.000 0.267 305 V C 1.281 177.419 176.094 0.074 0.000 1.186 305 V CA 0.352 62.687 62.300 0.059 0.000 1.154 305 V CB -0.661 31.189 31.823 0.045 0.000 0.802 305 V HN 0.449 nan 8.190 nan 0.000 0.474 306 N N 0.822 119.575 118.700 0.088 0.000 2.424 306 N HA -0.038 4.704 4.740 0.004 0.000 0.178 306 N C 0.773 176.391 175.510 0.180 0.000 1.060 306 N CA 0.723 53.851 53.050 0.129 0.000 0.901 306 N CB -0.162 38.393 38.487 0.113 0.000 0.979 306 N HN 0.492 nan 8.380 nan 0.000 0.451 307 D N 2.509 122.959 120.400 0.083 0.000 2.911 307 D HA -0.067 4.576 4.640 0.004 0.000 0.233 307 D C 1.572 177.830 176.300 -0.070 0.000 1.134 307 D CA -0.361 53.623 54.000 -0.026 0.000 1.011 307 D CB -0.446 40.320 40.800 -0.058 0.000 1.174 307 D HN 0.316 nan 8.370 nan 0.000 0.440 308 W N 0.441 121.736 121.300 -0.008 0.000 2.296 308 W HA -0.318 4.344 4.660 0.004 0.000 0.296 308 W C 1.134 177.646 176.519 -0.013 0.000 1.220 308 W CA 0.610 57.949 57.345 -0.011 0.000 1.223 308 W CB -0.743 28.711 29.460 -0.009 0.000 1.139 308 W HN 0.275 nan 8.180 nan 0.000 0.534 309 Q N 0.538 119.699 119.800 -1.066 0.000 2.050 309 Q HA -0.237 4.105 4.340 0.004 0.000 0.202 309 Q C 2.450 178.169 176.000 -0.467 0.000 0.980 309 Q CA 2.349 57.462 55.803 -1.151 0.000 0.840 309 Q CB -0.389 27.643 28.738 -1.177 0.000 0.898 309 Q HN 0.355 nan 8.270 nan 0.000 0.424 310 M N 0.482 119.883 119.600 -0.332 0.000 2.065 310 M HA -0.215 4.268 4.480 0.004 0.000 0.259 310 M C 1.831 178.061 176.300 -0.117 0.000 1.069 310 M CA 1.614 56.798 55.300 -0.194 0.000 1.110 310 M CB -0.178 32.326 32.600 -0.160 0.000 1.328 310 M HN 0.148 nan 8.290 nan 0.000 0.405 311 L N -0.518 120.661 121.223 -0.073 0.000 1.970 311 L HA -0.229 4.114 4.340 0.004 0.000 0.212 311 L C 2.505 179.390 176.870 0.026 0.000 1.071 311 L CA 1.719 56.556 54.840 -0.005 0.000 0.751 311 L CB -1.106 40.979 42.059 0.042 0.000 0.889 311 L HN 0.307 nan 8.230 nan 0.000 0.432 312 E N 0.038 120.281 120.200 0.073 0.000 2.169 312 E HA -0.281 4.071 4.350 0.004 0.000 0.202 312 E C 2.190 178.820 176.600 0.049 0.000 1.016 312 E CA 1.678 58.146 56.400 0.113 0.000 0.817 312 E CB -0.139 29.699 29.700 0.230 0.000 0.736 312 E HN 0.265 nan 8.360 nan 0.000 0.462 313 M N -0.825 118.771 119.600 -0.007 0.000 2.229 313 M HA -0.080 4.403 4.480 0.004 0.000 0.264 313 M C 1.851 178.153 176.300 0.003 0.000 1.063 313 M CA 0.986 56.275 55.300 -0.018 0.000 1.114 313 M CB -0.128 32.431 32.600 -0.069 0.000 1.387 313 M HN 0.208 nan 8.290 nan 0.000 0.420 314 L N -0.891 120.335 121.223 0.006 0.000 2.446 314 L HA -0.069 4.274 4.340 0.004 0.000 0.219 314 L C 2.293 179.186 176.870 0.040 0.000 1.116 314 L CA 0.317 55.171 54.840 0.023 0.000 0.844 314 L CB -0.253 41.814 42.059 0.013 0.000 0.970 314 L HN 0.149 nan 8.230 nan 0.000 0.457 315 K N 0.556 120.982 120.400 0.042 0.000 2.218 315 K HA -0.162 4.160 4.320 0.004 0.000 0.205 315 K C -0.754 175.880 176.600 0.058 0.000 1.046 315 K CA 1.345 57.662 56.287 0.050 0.000 0.933 315 K CB -0.707 31.826 32.500 0.055 0.000 0.728 315 K HN 0.307 nan 8.250 nan 0.000 0.454 316 P HA -0.024 nan 4.420 nan 0.000 0.231 316 P C 1.141 178.479 177.300 0.063 0.000 1.168 316 P CA 0.737 63.872 63.100 0.058 0.000 0.779 316 P CB -0.011 31.721 31.700 0.054 0.000 0.844 317 C N -0.297 119.043 119.300 0.067 0.000 2.610 317 C HA -0.075 4.388 4.460 0.004 0.000 0.285 317 C C 2.798 177.842 174.990 0.090 0.000 1.267 317 C CA 0.403 59.467 59.018 0.076 0.000 1.716 317 C CB -1.420 26.370 27.740 0.083 0.000 2.117 317 C HN 0.076 nan 8.230 nan 0.000 0.481 318 V N 1.449 121.418 119.914 0.093 0.000 2.251 318 V HA -0.398 3.724 4.120 0.004 0.000 0.259 318 V C 2.277 178.474 176.094 0.172 0.000 1.078 318 V CA 2.670 65.036 62.300 0.110 0.000 1.072 318 V CB -0.970 30.896 31.823 0.072 0.000 0.681 318 V HN 0.645 nan 8.190 nan 0.000 0.454 319 E N -0.950 119.343 120.200 0.155 0.000 2.268 319 E HA -0.223 4.130 4.350 0.004 0.000 0.195 319 E C 1.884 178.542 176.600 0.096 0.000 0.995 319 E CA 1.143 57.654 56.400 0.185 0.000 0.836 319 E CB -0.182 29.595 29.700 0.128 0.000 0.763 319 E HN 0.667 nan 8.360 nan 0.000 0.491 320 D N -0.235 120.205 120.400 0.066 0.000 2.162 320 D HA -0.047 4.595 4.640 0.004 0.000 0.203 320 D C 2.017 178.326 176.300 0.015 0.000 0.967 320 D CA 1.190 55.201 54.000 0.018 0.000 0.840 320 D CB -0.186 40.629 40.800 0.024 0.000 0.972 320 D HN 0.170 nan 8.370 nan 0.000 0.482 321 G N 0.111 108.957 108.800 0.078 0.000 2.402 321 G HA2 -0.189 3.773 3.960 0.004 0.000 0.216 321 G HA3 -0.189 3.773 3.960 0.004 0.000 0.216 321 G C 0.914 175.880 174.900 0.110 0.000 1.162 321 G CA 0.334 45.491 45.100 0.096 0.000 0.777 321 G HN 0.411 nan 8.290 nan 0.000 0.539 322 F N 1.476 121.425 119.950 -0.003 0.000 2.783 322 F HA 0.545 5.075 4.527 0.004 0.000 0.338 322 F C 0.663 176.448 175.800 -0.025 0.000 1.178 322 F CA -0.639 57.356 58.000 -0.009 0.000 1.343 322 F CB 0.349 39.346 39.000 -0.004 0.000 1.496 322 F HN -0.120 nan 8.300 nan 0.000 0.583 323 V N 1.443 121.224 119.914 -0.221 0.000 3.431 323 V HA 0.187 4.309 4.120 0.004 0.000 0.253 323 V C 0.737 176.765 176.094 -0.109 0.000 1.184 323 V CA 0.422 62.580 62.300 -0.238 0.000 1.104 323 V CB 0.049 31.728 31.823 -0.240 0.000 0.799 323 V HN 0.429 nan 8.190 nan 0.000 0.462 324 I N -0.006 120.545 120.570 -0.032 0.000 2.433 324 I HA 0.382 4.554 4.170 0.004 0.000 0.292 324 I C 0.380 176.539 176.117 0.071 0.000 1.001 324 I CA 0.016 61.325 61.300 0.016 0.000 1.119 324 I CB 2.119 40.135 38.000 0.026 0.000 1.289 324 I HN -0.039 nan 8.210 nan 0.000 0.438 325 Q N 3.522 123.363 119.800 0.067 0.000 2.113 325 Q HA 0.171 4.514 4.340 0.004 0.000 0.225 325 Q C -1.287 174.744 176.000 0.052 0.000 0.786 325 Q CA -0.074 55.776 55.803 0.079 0.000 0.989 325 Q CB 0.575 29.375 28.738 0.103 0.000 1.174 325 Q HN 0.719 nan 8.270 nan 0.000 0.470 326 D N -2.447 117.978 120.400 0.043 0.000 2.661 326 D HA 0.269 4.911 4.640 0.004 0.000 0.228 326 D C 0.366 176.684 176.300 0.030 0.000 1.183 326 D CA -0.649 53.370 54.000 0.032 0.000 0.844 326 D CB 0.853 41.669 40.800 0.026 0.000 1.555 326 D HN -0.128 nan 8.370 nan 0.000 0.453 327 R N 0.354 120.867 120.500 0.023 0.000 2.162 327 R HA -0.249 4.093 4.340 0.004 0.000 0.245 327 R C 1.195 177.506 176.300 0.018 0.000 1.129 327 R CA 2.213 58.323 56.100 0.016 0.000 0.940 327 R CB -0.318 29.989 30.300 0.011 0.000 0.875 327 R HN 0.576 nan 8.270 nan 0.000 0.437 328 E N -0.966 119.246 120.200 0.020 0.000 2.347 328 E HA -0.077 4.275 4.350 0.004 0.000 0.196 328 E C 1.560 178.178 176.600 0.031 0.000 1.008 328 E CA 1.453 57.866 56.400 0.022 0.000 0.852 328 E CB 0.194 29.906 29.700 0.020 0.000 0.783 328 E HN 0.520 nan 8.360 nan 0.000 0.505 329 T N -3.666 110.909 114.554 0.035 0.000 3.054 329 T HA 0.421 4.774 4.350 0.004 0.000 0.255 329 T C 1.594 176.331 174.700 0.063 0.000 1.035 329 T CA 0.229 62.356 62.100 0.044 0.000 0.941 329 T CB 0.682 69.570 68.868 0.033 0.000 1.026 329 T HN 0.065 nan 8.240 nan 0.000 0.533 330 A N 1.374 124.227 122.820 0.056 0.000 1.935 330 A HA 0.382 4.705 4.320 0.004 0.000 0.214 330 A C 1.978 179.598 177.584 0.061 0.000 1.178 330 A CA 0.440 52.519 52.037 0.069 0.000 0.640 330 A CB -0.633 18.394 19.000 0.045 0.000 0.825 330 A HN 0.408 nan 8.150 nan 0.000 0.447 331 L N 0.205 121.448 121.223 0.032 0.000 2.362 331 L HA -0.123 4.220 4.340 0.004 0.000 0.219 331 L C 1.866 178.765 176.870 0.049 0.000 1.134 331 L CA 1.830 56.680 54.840 0.017 0.000 0.807 331 L CB -0.448 41.616 42.059 0.008 0.000 0.927 331 L HN 0.450 nan 8.230 nan 0.000 0.447 332 D N -1.184 119.264 120.400 0.080 0.000 2.103 332 D HA -0.253 4.389 4.640 0.004 0.000 0.199 332 D C 1.971 178.369 176.300 0.164 0.000 0.978 332 D CA 0.840 54.902 54.000 0.104 0.000 0.829 332 D CB -0.087 40.768 40.800 0.092 0.000 0.981 332 D HN 0.226 nan 8.370 nan 0.000 0.464 333 F N 0.870 120.825 119.950 0.009 0.000 2.494 333 F HA 0.130 4.659 4.527 0.004 0.000 0.298 333 F C 0.281 176.091 175.800 0.017 0.000 1.106 333 F CA 0.312 58.317 58.000 0.008 0.000 1.452 333 F CB -0.348 38.650 39.000 -0.004 0.000 1.085 333 F HN -0.116 nan 8.300 nan 0.000 0.569 334 I N 1.231 121.759 120.570 -0.071 0.000 2.308 334 I HA 0.464 4.636 4.170 0.004 0.000 0.293 334 I C 0.609 176.740 176.117 0.023 0.000 1.078 334 I CA 0.520 61.748 61.300 -0.120 0.000 1.292 334 I CB -0.079 37.857 38.000 -0.107 0.000 1.423 334 I HN 0.226 nan 8.210 nan 0.000 0.493 346 E N 2.601 122.817 120.200 0.027 0.000 2.533 346 E HA -0.147 4.205 4.350 0.004 0.000 0.203 346 E C 0.755 177.376 176.600 0.034 0.000 1.101 346 E CA 1.090 57.508 56.400 0.030 0.000 0.894 346 E CB -0.024 29.691 29.700 0.024 0.000 0.843 346 E HN 0.188 nan 8.360 nan 0.000 0.552 347 K N 1.563 121.982 120.400 0.030 0.000 2.005 347 K HA -0.071 4.252 4.320 0.004 0.000 0.206 347 K C 2.217 178.853 176.600 0.059 0.000 1.044 347 K CA 1.363 57.669 56.287 0.031 0.000 0.942 347 K CB -0.372 32.131 32.500 0.006 0.000 0.727 347 K HN 0.158 nan 8.250 nan 0.000 0.439 348 R N 0.752 121.287 120.500 0.058 0.000 2.307 348 R HA 0.124 4.466 4.340 0.004 0.000 0.199 348 R C 1.444 177.820 176.300 0.127 0.000 1.000 348 R CA 0.822 56.984 56.100 0.104 0.000 1.023 348 R CB -0.395 29.948 30.300 0.072 0.000 0.908 348 R HN 0.102 nan 8.270 nan 0.000 0.473 349 I N 1.299 121.920 120.570 0.086 0.000 2.500 349 I HA -0.121 4.051 4.170 0.004 0.000 0.252 349 I C 2.480 178.638 176.117 0.069 0.000 1.142 349 I CA 1.060 62.400 61.300 0.067 0.000 1.451 349 I CB -0.105 37.923 38.000 0.046 0.000 1.093 349 I HN 0.085 nan 8.210 nan 0.000 0.430 350 Q N -0.937 118.916 119.800 0.087 0.000 2.187 350 Q HA -0.151 4.191 4.340 0.004 0.000 0.199 350 Q C 2.102 178.187 176.000 0.142 0.000 0.957 350 Q CA 1.126 56.984 55.803 0.091 0.000 0.857 350 Q CB -0.259 28.528 28.738 0.082 0.000 0.929 350 Q HN 0.483 nan 8.270 nan 0.000 0.453 351 Y N 1.078 121.395 120.300 0.028 0.000 2.145 351 Y HA -0.213 4.339 4.550 0.004 0.000 0.286 351 Y C 2.147 178.063 175.900 0.026 0.000 1.145 351 Y CA 1.600 59.726 58.100 0.044 0.000 1.148 351 Y CB -0.446 38.043 38.460 0.048 0.000 0.981 351 Y HN 0.095 nan 8.280 nan 0.000 0.507 352 A N -0.417 122.425 122.820 0.036 0.000 2.015 352 A HA -0.142 4.180 4.320 0.004 0.000 0.219 352 A C 2.226 179.754 177.584 -0.094 0.000 1.163 352 A CA 1.553 53.542 52.037 -0.080 0.000 0.646 352 A CB -0.562 18.423 19.000 -0.025 0.000 0.806 352 A HN 0.440 nan 8.150 nan 0.000 0.448 353 K N -0.800 119.576 120.400 -0.041 0.000 2.400 353 K HA -0.045 4.277 4.320 0.004 0.000 0.194 353 K C 0.486 177.060 176.600 -0.044 0.000 1.033 353 K CA 0.721 56.984 56.287 -0.041 0.000 1.021 353 K CB 0.061 32.555 32.500 -0.009 0.000 0.808 353 K HN 0.330 nan 8.250 nan 0.000 0.505 354 D N 0.837 121.211 120.400 -0.045 0.000 2.144 354 D HA -0.044 4.598 4.640 0.004 0.000 0.207 354 D C 1.771 178.019 176.300 -0.086 0.000 0.970 354 D CA 0.849 54.826 54.000 -0.037 0.000 0.853 354 D CB 0.015 40.821 40.800 0.011 0.000 1.007 354 D HN 0.146 nan 8.370 nan 0.000 0.469 355 I N 0.758 121.226 120.570 -0.170 0.000 2.454 355 I HA -0.177 3.995 4.170 0.004 0.000 0.254 355 I C 1.896 177.928 176.117 -0.142 0.000 1.156 355 I CA 0.665 61.824 61.300 -0.235 0.000 1.433 355 I CB 0.080 37.836 38.000 -0.407 0.000 1.082 355 I HN -0.055 nan 8.210 nan 0.000 0.432 356 L N -0.414 120.722 121.223 -0.144 0.000 2.591 356 L HA -0.027 4.316 4.340 0.004 0.000 0.228 356 L C 1.845 178.682 176.870 -0.055 0.000 1.133 356 L CA 0.493 55.239 54.840 -0.156 0.000 0.880 356 L CB -0.095 41.793 42.059 -0.285 0.000 1.033 356 L HN 0.308 nan 8.230 nan 0.000 0.450 357 Q N -1.392 118.380 119.800 -0.045 0.000 2.471 357 Q HA 0.057 4.399 4.340 0.004 0.000 0.259 357 Q C 1.906 177.871 176.000 -0.058 0.000 0.850 357 Q CA 0.085 55.867 55.803 -0.035 0.000 0.981 357 Q CB 0.680 29.395 28.738 -0.039 0.000 1.180 357 Q HN 0.175 nan 8.270 nan 0.000 0.571 358 K N 0.212 120.572 120.400 -0.067 0.000 2.128 358 K HA 0.001 4.324 4.320 0.004 0.000 0.202 358 K C 1.256 177.792 176.600 -0.107 0.000 1.050 358 K CA 0.923 57.151 56.287 -0.097 0.000 0.966 358 K CB 0.499 32.972 32.500 -0.045 0.000 0.759 358 K HN 0.045 nan 8.250 nan 0.000 0.454 359 E N -0.539 119.611 120.200 -0.084 0.000 2.413 359 E HA 0.020 4.372 4.350 0.004 0.000 0.203 359 E C -0.132 176.448 176.600 -0.032 0.000 0.957 359 E CA -0.122 56.223 56.400 -0.091 0.000 0.950 359 E CB 0.235 29.784 29.700 -0.252 0.000 0.957 359 E HN 0.056 nan 8.360 nan 0.000 0.497 360 F N 2.432 122.294 119.950 -0.147 0.000 2.444 360 F HA 0.138 4.667 4.527 0.004 0.000 0.360 360 F C 0.151 175.883 175.800 -0.112 0.000 1.106 360 F CA -0.769 57.164 58.000 -0.113 0.000 1.170 360 F CB 0.256 39.188 39.000 -0.113 0.000 1.113 360 F HN -0.178 nan 8.300 nan 0.000 0.521 361 L N 7.777 128.730 121.223 -0.451 0.000 3.895 361 L HA -0.234 4.108 4.340 0.004 0.000 0.511 361 L C -1.831 174.844 176.870 -0.326 0.000 1.222 361 L CA 0.105 54.675 54.840 -0.449 0.000 0.739 361 L CB -1.672 40.006 42.059 -0.634 0.000 1.425 361 L HN 0.541 nan 8.230 nan 0.000 0.817 362 P HA -0.154 nan 4.420 nan 0.000 0.222 362 P C 1.038 178.285 177.300 -0.087 0.000 1.142 362 P CA 1.787 64.816 63.100 -0.119 0.000 0.788 362 P CB -0.054 31.595 31.700 -0.085 0.000 0.767 363 H N -1.338 117.655 119.070 -0.129 0.000 2.127 363 H HA 0.114 4.673 4.556 0.004 0.000 0.273 363 H C 1.605 176.832 175.328 -0.168 0.000 1.686 363 H CA -0.169 55.800 56.048 -0.132 0.000 1.464 363 H CB -0.582 29.107 29.762 -0.121 0.000 1.739 363 H HN -0.247 nan 8.280 nan 0.000 0.687 364 I N -1.359 119.034 120.570 -0.295 0.000 4.740 364 I HA -0.417 3.756 4.170 0.004 0.000 0.046 364 I C 0.979 177.030 176.117 -0.111 0.000 0.628 364 I CA 2.632 63.782 61.300 -0.250 0.000 0.634 364 I CB -2.108 35.696 38.000 -0.326 0.000 0.604 364 I HN 0.827 nan 8.210 nan 0.000 0.157 365 T N -1.297 113.157 114.554 -0.167 0.000 2.733 365 T HA 0.369 4.722 4.350 0.004 0.000 0.312 365 T C -0.543 174.028 174.700 -0.216 0.000 1.590 365 T CA -0.119 61.836 62.100 -0.242 0.000 1.005 365 T CB 1.861 70.403 68.868 -0.544 0.000 1.528 365 T HN 0.403 nan 8.240 nan 0.000 0.496 366 Q N 1.473 121.138 119.800 -0.225 0.000 2.135 366 Q HA 0.430 4.772 4.340 0.004 0.000 0.231 366 Q C 0.486 176.378 176.000 -0.180 0.000 0.817 366 Q CA -0.163 55.523 55.803 -0.195 0.000 1.073 366 Q CB 0.171 28.770 28.738 -0.231 0.000 1.176 366 Q HN 0.556 nan 8.270 nan 0.000 0.478 367 L N -0.900 120.189 121.223 -0.224 0.000 2.718 367 L HA 0.287 4.630 4.340 0.004 0.000 0.147 367 L C 1.614 178.418 176.870 -0.111 0.000 1.748 367 L CA -0.182 54.548 54.840 -0.185 0.000 2.748 367 L CB -0.312 41.592 42.059 -0.260 0.000 2.984 367 L HN 0.162 nan 8.230 nan 0.000 0.700 368 E N 0.167 120.324 120.200 -0.072 0.000 2.176 368 E HA 0.017 4.369 4.350 0.004 0.000 0.194 368 E C 1.463 178.105 176.600 0.070 0.000 0.947 368 E CA 0.535 56.934 56.400 -0.002 0.000 0.960 368 E CB 0.227 29.932 29.700 0.009 0.000 1.002 368 E HN 0.649 nan 8.360 nan 0.000 0.479 369 G N 0.728 109.615 108.800 0.146 0.000 3.374 369 G HA2 0.092 4.055 3.960 0.004 0.000 0.252 369 G HA3 0.092 4.055 3.960 0.004 0.000 0.252 369 G C -0.432 174.722 174.900 0.424 0.000 1.326 369 G CA -0.262 44.976 45.100 0.230 0.000 1.133 369 G HN 0.054 nan 8.290 nan 0.000 0.528 370 F N 0.379 120.325 119.950 -0.007 0.000 2.366 370 F HA 0.442 4.971 4.527 0.004 0.000 0.328 370 F C 0.959 176.766 175.800 0.012 0.000 1.180 370 F CA -1.604 56.395 58.000 -0.002 0.000 1.232 370 F CB 1.386 40.374 39.000 -0.020 0.000 1.513 370 F HN 0.052 nan 8.300 nan 0.000 0.540 371 E N 0.212 120.491 120.200 0.131 0.000 2.075 371 E HA -0.088 4.264 4.350 0.004 0.000 0.190 371 E C 2.265 178.912 176.600 0.079 0.000 0.969 371 E CA 1.217 57.664 56.400 0.078 0.000 0.815 371 E CB 0.135 29.859 29.700 0.040 0.000 0.776 371 E HN 0.327 nan 8.360 nan 0.000 0.457 372 S N -0.042 115.707 115.700 0.083 0.000 2.501 372 S HA 0.065 4.537 4.470 0.004 0.000 0.220 372 S C 1.839 176.604 174.600 0.275 0.000 0.997 372 S CA -0.081 58.205 58.200 0.143 0.000 0.919 372 S CB 0.072 63.389 63.200 0.196 0.000 0.778 372 S HN 0.011 nan 8.310 nan 0.000 0.523 373 R N 1.522 122.106 120.500 0.139 0.000 2.083 373 R HA -0.002 4.340 4.340 0.004 0.000 0.237 373 R C 2.107 178.533 176.300 0.209 0.000 1.137 373 R CA 1.632 57.788 56.100 0.093 0.000 0.951 373 R CB -0.307 29.994 30.300 0.002 0.000 0.851 373 R HN 0.536 nan 8.270 nan 0.000 0.434 374 K N -0.307 120.238 120.400 0.241 0.000 2.076 374 K HA 0.032 4.355 4.320 0.004 0.000 0.204 374 K C 2.178 179.058 176.600 0.467 0.000 1.051 374 K CA 0.966 57.461 56.287 0.346 0.000 0.949 374 K CB -0.124 32.615 32.500 0.399 0.000 0.726 374 K HN 0.082 nan 8.250 nan 0.000 0.443 375 A N 1.368 124.387 122.820 0.332 0.000 1.873 375 A HA -0.198 4.125 4.320 0.004 0.000 0.218 375 A C 2.008 179.871 177.584 0.466 0.000 1.193 375 A CA 1.484 53.725 52.037 0.339 0.000 0.629 375 A CB -1.022 17.992 19.000 0.023 0.000 0.826 375 A HN 0.236 nan 8.150 nan 0.000 0.447 376 F N -1.860 118.295 119.950 0.341 0.000 2.154 376 F HA -0.194 4.336 4.527 0.004 0.000 0.301 376 F C 2.052 178.275 175.800 0.706 0.000 1.087 376 F CA 1.863 60.141 58.000 0.464 0.000 1.274 376 F CB -0.313 38.755 39.000 0.113 0.000 1.009 376 F HN 0.352 nan 8.300 nan 0.000 0.485 377 F N -0.198 120.151 119.950 0.666 0.000 2.128 377 F HA -0.126 4.404 4.527 0.004 0.000 0.295 377 F C 2.145 178.268 175.800 0.539 0.000 1.100 377 F CA 1.010 59.387 58.000 0.629 0.000 1.260 377 F CB -0.554 38.657 39.000 0.352 0.000 1.009 377 F HN -0.124 nan 8.300 nan 0.000 0.476 378 L N 0.229 121.790 121.223 0.564 0.000 2.187 378 L HA -0.062 4.280 4.340 0.004 0.000 0.213 378 L C 2.310 179.421 176.870 0.401 0.000 1.100 378 L CA 2.053 57.108 54.840 0.359 0.000 0.765 378 L CB -1.172 41.044 42.059 0.261 0.000 0.904 378 L HN 0.206 nan 8.230 nan 0.000 0.437 379 G N -1.794 107.382 108.800 0.627 0.000 2.403 379 G HA2 -0.342 3.621 3.960 0.004 0.000 0.216 379 G HA3 -0.342 3.621 3.960 0.004 0.000 0.216 379 G C 1.455 176.628 174.900 0.454 0.000 1.154 379 G CA 0.733 46.188 45.100 0.592 0.000 0.784 379 G HN 0.506 nan 8.290 nan 0.000 0.538 380 Y N 1.021 121.568 120.300 0.411 0.000 2.224 380 Y HA -0.060 4.493 4.550 0.004 0.000 0.289 380 Y C 2.851 178.746 175.900 -0.009 0.000 1.146 380 Y CA 1.628 59.846 58.100 0.197 0.000 1.182 380 Y CB -0.112 38.326 38.460 -0.035 0.000 0.983 380 Y HN 0.132 nan 8.280 nan 0.000 0.524 381 M N -0.641 118.924 119.600 -0.058 0.000 2.067 381 M HA -0.234 4.249 4.480 0.004 0.000 0.260 381 M C 1.986 178.214 176.300 -0.119 0.000 1.069 381 M CA 1.559 56.778 55.300 -0.135 0.000 1.117 381 M CB -0.419 32.150 32.600 -0.052 0.000 1.334 381 M HN 0.233 nan 8.290 nan 0.000 0.407 382 I N 0.110 120.668 120.570 -0.020 0.000 2.208 382 I HA -0.291 3.882 4.170 0.004 0.000 0.245 382 I C 1.986 178.043 176.117 -0.099 0.000 1.097 382 I CA 1.718 63.004 61.300 -0.022 0.000 1.363 382 I CB -1.912 36.124 38.000 0.060 0.000 1.051 382 I HN 0.446 nan 8.210 nan 0.000 0.413 383 N N 1.185 119.802 118.700 -0.138 0.000 2.061 383 N HA -0.219 4.523 4.740 0.004 0.000 0.193 383 N C 1.922 177.286 175.510 -0.242 0.000 1.030 383 N CA 1.637 54.565 53.050 -0.204 0.000 0.856 383 N CB 0.090 38.451 38.487 -0.210 0.000 1.023 383 N HN 0.112 nan 8.380 nan 0.000 0.424 384 R N 0.209 120.505 120.500 -0.340 0.000 2.115 384 R HA -0.004 4.338 4.340 0.004 0.000 0.226 384 R C 2.014 178.193 176.300 -0.201 0.000 1.100 384 R CA 0.422 56.337 56.100 -0.307 0.000 0.980 384 R CB -1.424 28.645 30.300 -0.385 0.000 0.875 384 R HN 0.360 nan 8.270 nan 0.000 0.445 385 L N 0.452 121.572 121.223 -0.171 0.000 2.141 385 L HA -0.030 4.312 4.340 0.004 0.000 0.209 385 L C 1.737 178.505 176.870 -0.170 0.000 1.094 385 L CA 1.591 56.353 54.840 -0.130 0.000 0.763 385 L CB -0.121 41.888 42.059 -0.084 0.000 0.908 385 L HN 0.075 nan 8.230 nan 0.000 0.437 386 L N -1.923 119.198 121.223 -0.169 0.000 2.354 386 L HA -0.024 4.318 4.340 0.004 0.000 0.212 386 L C 2.151 178.910 176.870 -0.186 0.000 1.091 386 L CA -0.144 54.582 54.840 -0.190 0.000 0.828 386 L CB -0.480 41.487 42.059 -0.152 0.000 0.973 386 L HN 0.180 nan 8.230 nan 0.000 0.461 387 L N -0.065 121.060 121.223 -0.164 0.000 2.349 387 L HA -0.255 4.087 4.340 0.004 0.000 0.220 387 L C 2.411 179.209 176.870 -0.120 0.000 1.130 387 L CA 1.515 56.273 54.840 -0.137 0.000 0.791 387 L CB -0.641 41.339 42.059 -0.133 0.000 0.918 387 L HN 0.544 nan 8.230 nan 0.000 0.444 388 C N -1.438 117.779 119.300 -0.139 0.000 2.563 388 C HA 0.265 4.727 4.460 0.004 0.000 0.346 388 C C 2.881 177.767 174.990 -0.174 0.000 1.334 388 C CA 0.424 59.389 59.018 -0.089 0.000 1.938 388 C CB -0.245 27.489 27.740 -0.010 0.000 2.445 388 C HN 0.461 nan 8.230 nan 0.000 0.541 389 A N 0.726 123.257 122.820 -0.481 0.000 2.121 389 A HA 0.159 4.481 4.320 0.004 0.000 0.218 389 A C 1.721 179.137 177.584 -0.279 0.000 1.154 389 A CA 1.137 52.697 52.037 -0.794 0.000 0.679 389 A CB -0.575 17.889 19.000 -0.893 0.000 0.795 389 A HN 0.688 nan 8.150 nan 0.000 0.458 390 L N -0.861 120.243 121.223 -0.198 0.000 2.653 390 L HA 0.144 4.486 4.340 0.004 0.000 0.232 390 L C -0.243 176.577 176.870 -0.082 0.000 1.169 390 L CA -0.110 54.650 54.840 -0.133 0.000 0.951 390 L CB -0.521 41.442 42.059 -0.160 0.000 1.181 390 L HN 0.223 nan 8.230 nan 0.000 0.460 391 D N 0.408 120.779 120.400 -0.049 0.000 2.686 391 D HA -0.216 4.427 4.640 0.004 0.000 0.235 391 D C 1.327 177.612 176.300 -0.025 0.000 1.160 391 D CA 0.655 54.650 54.000 -0.009 0.000 0.645 391 D CB -0.199 40.608 40.800 0.011 0.000 1.039 391 D HN 0.321 nan 8.370 nan 0.000 0.423 392 R N -0.610 119.865 120.500 -0.043 0.000 2.102 392 R HA 0.195 4.537 4.340 0.004 0.000 0.208 392 R C 0.482 176.764 176.300 -0.030 0.000 1.131 392 R CA 0.297 56.371 56.100 -0.042 0.000 1.054 392 R CB 0.324 30.587 30.300 -0.061 0.000 0.954 392 R HN -0.123 nan 8.270 nan 0.000 0.465 393 K N 0.903 121.281 120.400 -0.036 0.000 2.203 393 K HA 0.181 4.503 4.320 0.004 0.000 0.251 393 K C -0.751 175.844 176.600 -0.008 0.000 0.944 393 K CA -0.498 55.773 56.287 -0.026 0.000 0.829 393 K CB 1.305 33.779 32.500 -0.044 0.000 1.125 393 K HN -0.074 nan 8.250 nan 0.000 0.430 394 D N 1.015 121.419 120.400 0.007 0.000 2.278 394 D HA -0.082 4.560 4.640 0.004 0.000 0.240 394 D C 0.140 176.470 176.300 0.049 0.000 1.347 394 D CA 0.289 54.308 54.000 0.032 0.000 0.945 394 D CB 0.591 41.414 40.800 0.038 0.000 1.175 394 D HN 0.426 nan 8.370 nan 0.000 0.519 395 Q N -0.155 119.691 119.800 0.077 0.000 2.500 395 Q HA 0.045 4.387 4.340 0.004 0.000 0.215 395 Q C -0.804 175.270 176.000 0.123 0.000 1.062 395 Q CA -0.190 55.682 55.803 0.116 0.000 0.996 395 Q CB 0.675 29.490 28.738 0.128 0.000 1.239 395 Q HN 0.259 nan 8.270 nan 0.000 0.578 396 D N 1.442 121.962 120.400 0.199 0.000 2.233 396 D HA 0.072 4.715 4.640 0.004 0.000 0.240 396 D C -1.147 175.323 176.300 0.283 0.000 1.074 396 D CA -0.200 53.919 54.000 0.198 0.000 0.838 396 D CB 1.075 41.933 40.800 0.096 0.000 1.124 396 D HN 0.460 nan 8.370 nan 0.000 0.475 397 D N 2.513 123.020 120.400 0.178 0.000 2.348 397 D HA -0.002 4.641 4.640 0.004 0.000 0.259 397 D C 1.176 177.550 176.300 0.124 0.000 1.296 397 D CA 0.015 54.104 54.000 0.148 0.000 0.931 397 D CB 0.436 41.343 40.800 0.177 0.000 1.067 397 D HN 0.307 nan 8.370 nan 0.000 0.503 398 R N 1.940 122.490 120.500 0.083 0.000 2.152 398 R HA -0.080 4.262 4.340 0.004 0.000 0.232 398 R C 0.182 176.490 176.300 0.013 0.000 1.117 398 R CA 0.851 56.980 56.100 0.047 0.000 0.981 398 R CB 0.206 30.445 30.300 -0.102 0.000 0.870 398 R HN 0.325 nan 8.270 nan 0.000 0.451 399 D N 0.126 120.496 120.400 -0.050 0.000 3.035 399 D HA 0.032 4.674 4.640 0.004 0.000 0.290 399 D C -0.515 175.529 176.300 -0.427 0.000 1.360 399 D CA -0.025 53.896 54.000 -0.132 0.000 0.862 399 D CB 0.023 40.766 40.800 -0.095 0.000 1.078 399 D HN 0.169 nan 8.370 nan 0.000 0.487 400 H N 0.473 119.346 119.070 -0.328 0.000 2.562 400 H HA 0.051 4.609 4.556 0.004 0.000 0.314 400 H C 0.231 175.527 175.328 -0.052 0.000 1.079 400 H CA -0.477 55.388 56.048 -0.306 0.000 1.349 400 H CB 0.880 30.580 29.762 -0.104 0.000 1.432 400 H HN -0.037 nan 8.280 nan 0.000 0.479 401 F N 3.493 123.343 119.950 -0.166 0.000 2.365 401 F HA 0.006 4.536 4.527 0.004 0.000 0.300 401 F C 2.278 178.146 175.800 0.114 0.000 1.090 401 F CA 1.364 59.356 58.000 -0.013 0.000 1.408 401 F CB -0.258 38.724 39.000 -0.030 0.000 1.060 401 F HN 0.742 nan 8.300 nan 0.000 0.534 402 G N -0.732 108.299 108.800 0.385 0.000 2.679 402 G HA2 -0.179 3.783 3.960 0.004 0.000 0.212 402 G HA3 -0.179 3.783 3.960 0.004 0.000 0.212 402 G C 1.393 176.302 174.900 0.016 0.000 1.137 402 G CA 0.318 45.548 45.100 0.216 0.000 0.787 402 G HN 0.321 nan 8.290 nan 0.000 0.534 403 K N -0.247 120.160 120.400 0.013 0.000 2.536 403 K HA 0.184 4.506 4.320 0.004 0.000 0.203 403 K C -0.128 176.418 176.600 -0.090 0.000 1.063 403 K CA -0.096 56.151 56.287 -0.067 0.000 1.063 403 K CB 0.783 33.270 32.500 -0.021 0.000 0.843 403 K HN 0.133 nan 8.250 nan 0.000 0.521 404 K N 1.331 121.638 120.400 -0.155 0.000 2.316 404 K HA 0.453 4.776 4.320 0.004 0.000 0.251 404 K C -0.359 176.053 176.600 -0.313 0.000 0.934 404 K CA -1.045 55.125 56.287 -0.195 0.000 0.802 404 K CB 2.047 34.450 32.500 -0.162 0.000 1.171 404 K HN -0.178 nan 8.250 nan 0.000 0.426 405 R N 1.746 122.110 120.500 -0.226 0.000 2.854 405 R HA 0.543 4.885 4.340 0.004 0.000 0.271 405 R C -0.452 175.750 176.300 -0.163 0.000 0.996 405 R CA -0.939 55.029 56.100 -0.219 0.000 0.961 405 R CB 1.042 31.245 30.300 -0.162 0.000 1.182 405 R HN 0.543 nan 8.270 nan 0.000 0.479 406 L N 1.421 122.561 121.223 -0.138 0.000 2.296 406 L HA 0.383 4.725 4.340 0.004 0.000 0.286 406 L C -0.260 176.577 176.870 -0.055 0.000 1.023 406 L CA -0.801 53.992 54.840 -0.077 0.000 0.812 406 L CB 1.436 43.464 42.059 -0.052 0.000 1.223 406 L HN 0.260 nan 8.230 nan 0.000 0.421 407 D N 3.544 123.917 120.400 -0.044 0.000 2.441 407 D HA 0.257 4.900 4.640 0.004 0.000 0.221 407 D C 0.134 176.412 176.300 -0.037 0.000 1.156 407 D CA -0.244 53.737 54.000 -0.030 0.000 0.896 407 D CB 1.494 42.282 40.800 -0.019 0.000 1.028 407 D HN 0.170 nan 8.370 nan 0.000 0.509 408 L N 1.877 123.087 121.223 -0.021 0.000 2.506 408 L HA 0.267 4.609 4.340 0.004 0.000 0.199 408 L C 1.820 178.690 176.870 -0.001 0.000 1.178 408 L CA 0.237 55.068 54.840 -0.015 0.000 0.868 408 L CB -0.069 41.994 42.059 0.006 0.000 1.451 408 L HN 0.349 nan 8.230 nan 0.000 0.526 409 A N 0.123 122.969 122.820 0.044 0.000 1.978 409 A HA -0.081 4.242 4.320 0.004 0.000 0.220 409 A C 1.878 179.526 177.584 0.107 0.000 1.170 409 A CA 1.828 53.929 52.037 0.107 0.000 0.636 409 A CB -1.582 17.571 19.000 0.256 0.000 0.810 409 A HN 0.909 nan 8.150 nan 0.000 0.448 410 G N 0.178 109.029 108.800 0.086 0.000 2.736 410 G HA2 -0.156 3.806 3.960 0.004 0.000 0.214 410 G HA3 -0.156 3.806 3.960 0.004 0.000 0.214 410 G C -0.442 174.361 174.900 -0.163 0.000 1.327 410 G CA 1.203 46.276 45.100 -0.046 0.000 0.818 410 G HN 0.444 nan 8.290 nan 0.000 0.611 411 P HA -0.034 nan 4.420 nan 0.000 0.224 411 P C 1.735 179.063 177.300 0.046 0.000 1.142 411 P CA 0.681 63.789 63.100 0.013 0.000 0.778 411 P CB -0.089 31.631 31.700 0.033 0.000 0.764 412 L N -2.116 119.143 121.223 0.060 0.000 2.131 412 L HA -0.075 4.267 4.340 0.004 0.000 0.206 412 L C 2.288 179.397 176.870 0.397 0.000 1.087 412 L CA 1.046 56.045 54.840 0.266 0.000 0.767 412 L CB -0.654 41.443 42.059 0.063 0.000 0.917 412 L HN -0.050 nan 8.230 nan 0.000 0.441 413 L N -0.730 120.538 121.223 0.074 0.000 2.109 413 L HA -0.110 4.233 4.340 0.004 0.000 0.207 413 L C 2.830 179.607 176.870 -0.156 0.000 1.086 413 L CA 0.881 55.646 54.840 -0.125 0.000 0.760 413 L CB -0.660 41.089 42.059 -0.516 0.000 0.910 413 L HN 0.214 nan 8.230 nan 0.000 0.437 414 A N 0.855 123.550 122.820 -0.208 0.000 1.883 414 A HA -0.283 4.040 4.320 0.004 0.000 0.217 414 A C 2.171 179.852 177.584 0.161 0.000 1.186 414 A CA 2.128 54.234 52.037 0.115 0.000 0.624 414 A CB -0.562 18.529 19.000 0.150 0.000 0.822 414 A HN 0.644 nan 8.150 nan 0.000 0.444 415 Q N -1.158 118.705 119.800 0.104 0.000 2.425 415 Q HA 0.358 4.700 4.340 0.004 0.000 0.204 415 Q C 1.628 177.630 176.000 0.004 0.000 0.933 415 Q CA 0.741 56.590 55.803 0.077 0.000 0.939 415 Q CB -0.147 28.638 28.738 0.079 0.000 1.044 415 Q HN 0.566 nan 8.270 nan 0.000 0.513 416 L N -0.798 120.401 121.223 -0.041 0.000 2.221 416 L HA 0.150 4.493 4.340 0.004 0.000 0.202 416 L C 1.851 178.679 176.870 -0.070 0.000 1.074 416 L CA 0.393 55.112 54.840 -0.201 0.000 0.795 416 L CB -0.040 41.722 42.059 -0.495 0.000 0.960 416 L HN 0.230 nan 8.230 nan 0.000 0.458 417 F N 0.899 120.801 119.950 -0.079 0.000 2.102 417 F HA -0.256 4.273 4.527 0.004 0.000 0.298 417 F C 2.384 178.207 175.800 0.039 0.000 1.105 417 F CA 1.738 59.736 58.000 -0.002 0.000 1.239 417 F CB -0.075 38.986 39.000 0.100 0.000 0.991 417 F HN -0.091 nan 8.300 nan 0.000 0.474 418 K N -0.425 120.103 120.400 0.214 0.000 2.001 418 K HA -0.255 4.067 4.320 0.004 0.000 0.223 418 K C 1.954 178.561 176.600 0.012 0.000 1.055 418 K CA 2.740 59.110 56.287 0.138 0.000 0.965 418 K CB -0.864 31.701 32.500 0.109 0.000 0.730 418 K HN 0.241 nan 8.250 nan 0.000 0.449 419 T N 1.930 116.457 114.554 -0.046 0.000 2.624 419 T HA -0.202 4.151 4.350 0.004 0.000 0.268 419 T C 1.873 176.484 174.700 -0.149 0.000 1.041 419 T CA 1.675 63.713 62.100 -0.104 0.000 1.159 419 T CB -0.340 68.450 68.868 -0.131 0.000 0.863 419 T HN 0.138 nan 8.240 nan 0.000 0.434 420 L N -0.425 120.682 121.223 -0.194 0.000 2.056 420 L HA 0.002 4.344 4.340 0.004 0.000 0.207 420 L C 2.319 179.034 176.870 -0.258 0.000 1.078 420 L CA 1.229 55.923 54.840 -0.242 0.000 0.749 420 L CB -0.533 41.348 42.059 -0.296 0.000 0.901 420 L HN 0.201 nan 8.230 nan 0.000 0.433 421 F N 0.675 120.338 119.950 -0.479 0.000 2.451 421 F HA -0.121 4.408 4.527 0.004 0.000 0.299 421 F C 2.303 177.935 175.800 -0.280 0.000 1.101 421 F CA 1.224 58.939 58.000 -0.475 0.000 1.436 421 F CB -0.165 38.481 39.000 -0.591 0.000 1.074 421 F HN -0.120 nan 8.300 nan 0.000 0.553 422 K N 0.153 120.347 120.400 -0.343 0.000 2.098 422 K HA -0.111 4.211 4.320 0.004 0.000 0.203 422 K C 2.201 178.648 176.600 -0.254 0.000 1.051 422 K CA 0.665 56.758 56.287 -0.323 0.000 0.957 422 K CB -0.090 32.309 32.500 -0.168 0.000 0.738 422 K HN 0.115 nan 8.250 nan 0.000 0.447 423 K N 1.249 121.527 120.400 -0.204 0.000 2.113 423 K HA -0.166 4.156 4.320 0.004 0.000 0.208 423 K C 2.082 178.582 176.600 -0.166 0.000 1.047 423 K CA 1.188 57.379 56.287 -0.160 0.000 0.928 423 K CB -0.043 32.367 32.500 -0.150 0.000 0.716 423 K HN 0.123 nan 8.250 nan 0.000 0.446 424 L N -0.334 120.751 121.223 -0.230 0.000 2.240 424 L HA -0.047 4.295 4.340 0.004 0.000 0.211 424 L C 2.109 178.836 176.870 -0.237 0.000 1.106 424 L CA 1.413 56.123 54.840 -0.216 0.000 0.793 424 L CB -0.188 41.735 42.059 -0.225 0.000 0.927 424 L HN 0.045 nan 8.230 nan 0.000 0.446 425 T N -0.424 113.906 114.554 -0.373 0.000 3.067 425 T HA -0.065 4.288 4.350 0.004 0.000 0.257 425 T C 1.694 176.337 174.700 -0.094 0.000 1.105 425 T CA 1.119 63.041 62.100 -0.296 0.000 1.104 425 T CB -0.001 68.539 68.868 -0.547 0.000 0.925 425 T HN 0.583 nan 8.240 nan 0.000 0.498 426 K N -0.390 119.970 120.400 -0.067 0.000 2.379 426 K HA 0.120 4.442 4.320 0.004 0.000 0.194 426 K C 1.172 177.816 176.600 0.074 0.000 1.031 426 K CA 0.583 56.905 56.287 0.059 0.000 1.037 426 K CB 0.243 32.759 32.500 0.026 0.000 0.824 426 K HN 0.078 nan 8.250 nan 0.000 0.516 427 D N 1.114 121.523 120.400 0.015 0.000 2.323 427 D HA 0.011 4.653 4.640 0.004 0.000 0.209 427 D C 1.594 177.946 176.300 0.087 0.000 0.973 427 D CA 0.512 54.534 54.000 0.037 0.000 0.874 427 D CB 0.290 41.084 40.800 -0.011 0.000 0.930 427 D HN 0.215 nan 8.370 nan 0.000 0.521 428 I N -0.076 120.539 120.570 0.076 0.000 2.876 428 I HA -0.083 4.089 4.170 0.004 0.000 0.264 428 I C 2.031 178.254 176.117 0.177 0.000 1.204 428 I CA 0.352 61.712 61.300 0.100 0.000 1.485 428 I CB -0.744 37.294 38.000 0.065 0.000 1.103 428 I HN -0.031 nan 8.210 nan 0.000 0.446 429 F N 2.097 122.070 119.950 0.039 0.000 2.075 429 F HA -0.148 4.381 4.527 0.004 0.000 0.297 429 F C 2.045 177.876 175.800 0.052 0.000 1.113 429 F CA 1.014 59.034 58.000 0.034 0.000 1.218 429 F CB 0.065 39.068 39.000 0.005 0.000 0.984 429 F HN -0.087 nan 8.300 nan 0.000 0.472 430 R N -0.712 119.961 120.500 0.287 0.000 2.849 430 R HA -0.091 4.251 4.340 0.004 0.000 0.238 430 R C 0.071 176.486 176.300 0.192 0.000 1.403 430 R CA 0.209 56.399 56.100 0.150 0.000 1.303 430 R CB -0.378 29.963 30.300 0.068 0.000 1.191 430 R HN 0.481 nan 8.270 nan 0.000 0.533 431 Y N -1.230 119.121 120.300 0.084 0.000 2.652 431 Y HA 0.166 4.719 4.550 0.004 0.000 0.274 431 Y C 1.739 177.675 175.900 0.060 0.000 1.148 431 Y CA 0.069 58.203 58.100 0.056 0.000 1.219 431 Y CB 0.335 38.823 38.460 0.048 0.000 1.337 431 Y HN -0.123 nan 8.280 nan 0.000 0.490 432 M N 0.524 120.241 119.600 0.194 0.000 2.123 432 M HA -0.207 4.275 4.480 0.004 0.000 0.263 432 M C 2.028 178.364 176.300 0.060 0.000 1.069 432 M CA 1.940 57.303 55.300 0.106 0.000 1.133 432 M CB -0.248 32.441 32.600 0.148 0.000 1.356 432 M HN 0.247 nan 8.290 nan 0.000 0.415 433 Q N 0.163 120.037 119.800 0.123 0.000 2.217 433 Q HA -0.201 4.141 4.340 0.004 0.000 0.209 433 Q C 0.807 176.799 176.000 -0.014 0.000 0.988 433 Q CA 1.342 57.179 55.803 0.057 0.000 0.878 433 Q CB -0.196 28.555 28.738 0.021 0.000 0.909 433 Q HN 0.515 nan 8.270 nan 0.000 0.424 434 R N -0.610 119.857 120.500 -0.056 0.000 2.694 434 R HA 0.187 4.529 4.340 0.004 0.000 0.334 434 R C 0.561 176.746 176.300 -0.193 0.000 1.143 434 R CA 0.081 56.117 56.100 -0.108 0.000 1.073 434 R CB 0.685 30.926 30.300 -0.098 0.000 1.366 434 R HN 0.073 nan 8.270 nan 0.000 0.577 435 T N -0.478 113.976 114.554 -0.168 0.000 3.138 435 T HA -0.037 4.315 4.350 0.004 0.000 0.245 435 T C 1.103 175.754 174.700 -0.081 0.000 0.982 435 T CA 0.897 62.899 62.100 -0.164 0.000 1.134 435 T CB 0.334 69.097 68.868 -0.175 0.000 1.032 435 T HN 0.177 nan 8.240 nan 0.000 0.442 436 V N 0.146 120.030 119.914 -0.049 0.000 2.745 436 V HA -0.275 3.847 4.120 0.004 0.000 0.150 436 V C -0.408 175.674 176.094 -0.020 0.000 0.454 436 V CA 1.551 63.836 62.300 -0.025 0.000 1.212 436 V CB -2.873 28.936 31.823 -0.023 0.000 1.411 436 V HN 0.636 nan 8.190 nan 0.000 1.061 447 A N 4.278 126.862 122.820 -0.393 0.000 2.097 447 A HA -0.207 4.116 4.320 0.004 0.000 0.229 447 A C 0.587 177.957 177.584 -0.357 0.000 0.571 447 A CA 1.109 52.658 52.037 -0.812 0.000 1.156 447 A CB -1.800 16.319 19.000 -1.469 0.000 1.413 447 A HN 0.634 nan 8.150 nan 0.000 0.705 448 I N 2.105 122.561 120.570 -0.190 0.000 2.792 448 I HA -0.012 4.160 4.170 0.004 0.000 0.284 448 I C 0.636 176.723 176.117 -0.050 0.000 1.166 448 I CA 0.791 62.040 61.300 -0.086 0.000 1.375 448 I CB -0.705 37.284 38.000 -0.019 0.000 1.421 448 I HN 0.525 nan 8.210 nan 0.000 0.544 449 N N 6.071 124.737 118.700 -0.056 0.000 2.968 449 N HA 0.222 4.964 4.740 0.004 0.000 0.271 449 N C 0.983 176.462 175.510 -0.052 0.000 1.174 449 N CA -0.052 52.980 53.050 -0.030 0.000 1.096 449 N CB 0.739 39.212 38.487 -0.023 0.000 1.403 449 N HN 0.607 nan 8.380 nan 0.000 0.522 450 A N 3.158 125.945 122.820 -0.055 0.000 2.070 450 A HA -0.156 4.167 4.320 0.004 0.000 0.220 450 A C 2.145 179.658 177.584 -0.120 0.000 1.159 450 A CA 0.895 52.842 52.037 -0.150 0.000 0.656 450 A CB -0.453 18.367 19.000 -0.299 0.000 0.800 450 A HN 0.596 nan 8.150 nan 0.000 0.453 451 K N 0.455 120.832 120.400 -0.038 0.000 2.127 451 K HA -0.206 4.117 4.320 0.004 0.000 0.208 451 K C 1.688 178.256 176.600 -0.054 0.000 1.047 451 K CA 2.332 58.607 56.287 -0.020 0.000 0.927 451 K CB -1.048 31.458 32.500 0.010 0.000 0.716 451 K HN 0.451 nan 8.250 nan 0.000 0.450 452 T N 2.527 117.036 114.554 -0.074 0.000 2.592 452 T HA -0.213 4.139 4.350 0.004 0.000 0.267 452 T C 2.068 176.692 174.700 -0.126 0.000 1.060 452 T CA 2.182 64.222 62.100 -0.099 0.000 1.167 452 T CB -0.295 68.504 68.868 -0.114 0.000 0.863 452 T HN 0.262 nan 8.240 nan 0.000 0.431 453 I N 1.335 121.811 120.570 -0.156 0.000 2.252 453 I HA -0.143 4.029 4.170 0.004 0.000 0.245 453 I C 2.722 178.776 176.117 -0.104 0.000 1.102 453 I CA 1.416 62.609 61.300 -0.178 0.000 1.385 453 I CB -0.999 36.856 38.000 -0.241 0.000 1.064 453 I HN 0.370 nan 8.210 nan 0.000 0.414 454 T N -0.083 114.422 114.554 -0.082 0.000 2.777 454 T HA -0.108 4.244 4.350 0.004 0.000 0.266 454 T C 1.776 176.478 174.700 0.004 0.000 1.040 454 T CA 1.546 63.631 62.100 -0.025 0.000 1.141 454 T CB -0.337 68.530 68.868 -0.001 0.000 0.868 454 T HN 0.443 nan 8.240 nan 0.000 0.444 455 S N 0.526 116.224 115.700 -0.003 0.000 2.577 455 S HA 0.376 4.849 4.470 0.004 0.000 0.219 455 S C 1.831 176.443 174.600 0.020 0.000 0.962 455 S CA 0.110 58.325 58.200 0.025 0.000 0.921 455 S CB 0.068 63.286 63.200 0.029 0.000 0.789 455 S HN 0.489 nan 8.310 nan 0.000 0.497 456 G N 1.278 110.057 108.800 -0.035 0.000 2.651 456 G HA2 0.247 4.209 3.960 0.004 0.000 0.207 456 G HA3 0.247 4.209 3.960 0.004 0.000 0.207 456 G C 1.143 175.978 174.900 -0.108 0.000 1.131 456 G CA -0.119 44.926 45.100 -0.092 0.000 0.816 456 G HN 0.441 nan 8.290 nan 0.000 0.534 457 L N -0.227 120.951 121.223 -0.076 0.000 2.376 457 L HA 0.126 4.468 4.340 0.004 0.000 0.219 457 L C 2.721 179.580 176.870 -0.018 0.000 1.133 457 L CA 0.811 55.609 54.840 -0.070 0.000 0.816 457 L CB 0.028 42.097 42.059 0.017 0.000 0.933 457 L HN 0.154 nan 8.230 nan 0.000 0.449 458 K N -1.370 119.051 120.400 0.036 0.000 2.168 458 K HA -0.117 4.205 4.320 0.004 0.000 0.201 458 K C 1.958 178.638 176.600 0.132 0.000 1.049 458 K CA 0.669 57.005 56.287 0.081 0.000 0.974 458 K CB -0.087 32.459 32.500 0.077 0.000 0.792 458 K HN 0.162 nan 8.250 nan 0.000 0.463 459 Y N 0.978 121.266 120.300 -0.021 0.000 2.097 459 Y HA -0.312 4.240 4.550 0.004 0.000 0.282 459 Y C 2.090 177.991 175.900 0.001 0.000 1.152 459 Y CA 1.416 59.510 58.100 -0.011 0.000 1.136 459 Y CB -0.058 38.383 38.460 -0.032 0.000 0.975 459 Y HN 0.074 nan 8.280 nan 0.000 0.498 460 A N 0.154 123.168 122.820 0.324 0.000 1.940 460 A HA -0.210 4.113 4.320 0.004 0.000 0.219 460 A C 2.021 179.838 177.584 0.389 0.000 1.176 460 A CA 1.755 53.896 52.037 0.174 0.000 0.631 460 A CB -0.959 17.757 19.000 -0.475 0.000 0.814 460 A HN 0.532 nan 8.150 nan 0.000 0.446 461 L N -1.003 120.395 121.223 0.292 0.000 2.270 461 L HA 0.186 4.529 4.340 0.004 0.000 0.210 461 L C 2.583 179.578 176.870 0.208 0.000 1.104 461 L CA 1.513 56.567 54.840 0.357 0.000 0.804 461 L CB -0.813 41.344 42.059 0.164 0.000 0.937 461 L HN 0.349 nan 8.230 nan 0.000 0.450 462 A N -1.549 121.360 122.820 0.149 0.000 1.930 462 A HA -0.079 4.244 4.320 0.004 0.000 0.215 462 A C 2.122 179.732 177.584 0.044 0.000 1.176 462 A CA 1.858 53.938 52.037 0.072 0.000 0.632 462 A CB -0.685 18.321 19.000 0.011 0.000 0.819 462 A HN 0.490 nan 8.150 nan 0.000 0.445 463 T N -3.742 110.843 114.554 0.051 0.000 2.914 463 T HA 0.444 4.797 4.350 0.004 0.000 0.240 463 T C 1.599 176.372 174.700 0.122 0.000 1.025 463 T CA 1.276 63.400 62.100 0.040 0.000 1.198 463 T CB -0.356 68.495 68.868 -0.029 0.000 0.892 463 T HN 1.427 nan 8.240 nan 0.000 0.417 464 G N 1.397 110.337 108.800 0.234 0.000 2.367 464 G HA2 -0.156 3.806 3.960 0.004 0.000 0.181 464 G HA3 -0.156 3.806 3.960 0.004 0.000 0.181 464 G C -0.107 174.958 174.900 0.275 0.000 1.000 464 G CA -0.446 44.784 45.100 0.218 0.000 0.693 464 G HN 0.429 nan 8.290 nan 0.000 0.480 465 N N 1.389 120.269 118.700 0.299 0.000 2.744 465 N HA 0.060 4.803 4.740 0.004 0.000 0.290 465 N C -0.087 175.608 175.510 0.308 0.000 1.206 465 N CA -0.229 52.995 53.050 0.289 0.000 1.119 465 N CB -0.228 38.462 38.487 0.339 0.000 1.449 465 N HN 0.526 nan 8.380 nan 0.000 0.514 466 W N 1.733 123.060 121.300 0.045 0.000 1.839 466 W HA 0.277 4.939 4.660 0.004 0.000 0.489 466 W C 0.135 176.639 176.519 -0.025 0.000 0.789 466 W CA -0.335 57.017 57.345 0.011 0.000 1.900 466 W CB -0.057 29.403 29.460 -0.000 0.000 1.773 466 W HN 0.490 nan 8.180 nan 0.000 0.251 467 G N 2.690 111.361 108.800 -0.216 0.000 4.887 467 G HA2 -0.047 3.916 3.960 0.004 0.000 0.220 467 G HA3 -0.047 3.916 3.960 0.004 0.000 0.220 467 G C -0.097 174.605 174.900 -0.331 0.000 0.775 467 G CA -0.042 44.901 45.100 -0.261 0.000 1.041 467 G HN 0.430 nan 8.290 nan 0.000 0.627 468 E N -0.731 119.196 120.200 -0.456 0.000 3.395 468 E HA -0.403 3.950 4.350 0.004 0.000 0.254 468 E C 2.019 178.110 176.600 -0.847 0.000 1.446 468 E CA 1.691 57.720 56.400 -0.618 0.000 2.083 468 E CB -0.812 28.650 29.700 -0.397 0.000 2.051 468 E HN 0.493 nan 8.360 nan 0.000 0.502 469 Q N 0.781 120.207 119.800 -0.623 0.000 2.096 469 Q HA -0.236 4.106 4.340 0.004 0.000 0.208 469 Q C 1.939 177.785 176.000 -0.257 0.000 0.993 469 Q CA 2.421 57.964 55.803 -0.434 0.000 0.862 469 Q CB -0.314 28.299 28.738 -0.209 0.000 0.915 469 Q HN 0.370 nan 8.270 nan 0.000 0.416 470 K N 1.043 121.321 120.400 -0.204 0.000 2.032 470 K HA -0.295 4.027 4.320 0.004 0.000 0.218 470 K C 1.348 177.918 176.600 -0.049 0.000 1.054 470 K CA 2.268 58.492 56.287 -0.105 0.000 0.941 470 K CB -0.281 32.160 32.500 -0.098 0.000 0.720 470 K HN 0.480 nan 8.250 nan 0.000 0.449 471 K N -2.417 117.960 120.400 -0.038 0.000 3.553 471 K HA -0.325 3.998 4.320 0.004 0.000 0.280 471 K C 1.272 177.887 176.600 0.024 0.000 1.061 471 K CA 1.816 58.121 56.287 0.031 0.000 1.101 471 K CB -2.041 30.505 32.500 0.077 0.000 1.421 471 K HN 0.196 nan 8.250 nan 0.000 0.440 472 A N 1.084 123.906 122.820 0.002 0.000 1.892 472 A HA 0.015 4.337 4.320 0.004 0.000 0.218 472 A C 1.566 179.156 177.584 0.009 0.000 1.188 472 A CA 1.793 53.832 52.037 0.003 0.000 0.631 472 A CB -0.438 18.556 19.000 -0.010 0.000 0.822 472 A HN 0.501 nan 8.150 nan 0.000 0.447 473 M N 2.404 122.005 119.600 0.002 0.000 3.353 473 M HA -0.042 4.441 4.480 0.004 0.000 0.233 473 M C 0.509 176.837 176.300 0.047 0.000 1.712 473 M CA 0.162 55.474 55.300 0.019 0.000 1.722 473 M CB -0.357 32.247 32.600 0.006 0.000 1.419 473 M HN 0.495 nan 8.290 nan 0.000 0.508 474 S N -1.197 114.528 115.700 0.043 0.000 3.048 474 S HA -0.004 4.468 4.470 0.004 0.000 0.254 474 S C 1.325 175.959 174.600 0.057 0.000 1.084 474 S CA 0.085 58.314 58.200 0.049 0.000 1.195 474 S CB -0.723 62.498 63.200 0.036 0.000 0.870 474 S HN 0.740 nan 8.310 nan 0.000 0.483 475 S N 1.575 117.324 115.700 0.081 0.000 2.547 475 S HA -0.073 4.400 4.470 0.004 0.000 0.235 475 S C 1.544 176.200 174.600 0.093 0.000 0.980 475 S CA 0.067 58.324 58.200 0.093 0.000 0.941 475 S CB -0.504 62.790 63.200 0.156 0.000 0.763 475 S HN 0.620 nan 8.310 nan 0.000 0.532 476 R N 1.375 121.934 120.500 0.099 0.000 2.776 476 R HA -0.306 4.036 4.340 0.004 0.000 0.144 476 R C 1.261 177.596 176.300 0.058 0.000 0.549 476 R CA 1.689 57.838 56.100 0.082 0.000 0.587 476 R CB -1.719 28.614 30.300 0.056 0.000 0.578 476 R HN 0.615 nan 8.270 nan 0.000 0.408 477 A N 1.170 124.009 122.820 0.032 0.000 3.004 477 A HA 0.360 4.683 4.320 0.004 0.000 0.252 477 A C 1.117 178.695 177.584 -0.011 0.000 1.802 477 A CA 0.606 52.647 52.037 0.007 0.000 1.424 477 A CB -0.868 18.128 19.000 -0.007 0.000 1.005 477 A HN 0.558 nan 8.150 nan 0.000 0.631 478 G N 0.110 108.917 108.800 0.012 0.000 2.450 478 G HA2 -0.209 3.753 3.960 0.004 0.000 0.302 478 G HA3 -0.209 3.753 3.960 0.004 0.000 0.302 478 G C 0.258 175.127 174.900 -0.052 0.000 0.957 478 G CA 0.302 45.406 45.100 0.007 0.000 1.005 478 G HN 1.276 nan 8.290 nan 0.000 0.514 479 V N -0.361 119.484 119.914 -0.116 0.000 2.452 479 V HA 0.391 4.513 4.120 0.004 0.000 0.286 479 V C 1.056 176.984 176.094 -0.277 0.000 0.995 479 V CA 0.965 63.081 62.300 -0.307 0.000 1.116 479 V CB 0.245 31.711 31.823 -0.596 0.000 0.954 479 V HN 2.069 nan 8.190 nan 0.000 0.473 480 S N 3.317 118.903 115.700 -0.190 0.000 3.866 480 S HA -0.100 4.372 4.470 0.004 0.000 0.740 480 S C -0.573 174.042 174.600 0.025 0.000 0.503 480 S CA 0.011 58.180 58.200 -0.052 0.000 1.385 480 S CB -0.966 62.233 63.200 -0.003 0.000 0.755 480 S HN 0.955 nan 8.310 nan 0.000 0.987 481 Q N 1.809 121.651 119.800 0.069 0.000 2.348 481 Q HA 0.627 4.969 4.340 0.004 0.000 0.271 481 Q C 0.670 176.724 176.000 0.090 0.000 1.067 481 Q CA -0.722 55.141 55.803 0.100 0.000 0.839 481 Q CB 1.846 30.700 28.738 0.192 0.000 1.354 481 Q HN 0.728 nan 8.270 nan 0.000 0.447 482 V N 1.021 120.940 119.914 0.008 0.000 2.248 482 V HA 0.129 4.251 4.120 0.004 0.000 0.309 482 V C 0.800 176.808 176.094 -0.144 0.000 1.722 482 V CA 0.026 62.304 62.300 -0.038 0.000 1.693 482 V CB -2.183 29.617 31.823 -0.039 0.000 1.470 482 V HN 0.813 nan 8.190 nan 0.000 0.518 483 L N 0.061 121.185 121.223 -0.166 0.000 7.036 483 L HA -0.325 4.017 4.340 0.004 0.000 0.055 483 L C 0.399 176.907 176.870 -0.604 0.000 1.497 483 L CA 1.811 56.444 54.840 -0.346 0.000 1.662 483 L CB -0.388 41.493 42.059 -0.296 0.000 2.723 483 L HN 0.871 nan 8.230 nan 0.000 1.084 484 N N -1.084 117.369 118.700 -0.412 0.000 3.392 484 N HA 0.321 5.063 4.740 0.004 0.000 0.223 484 N C -1.358 174.047 175.510 -0.175 0.000 1.137 484 N CA -0.427 52.434 53.050 -0.314 0.000 0.991 484 N CB 0.716 38.992 38.487 -0.352 0.000 1.602 484 N HN 0.404 nan 8.380 nan 0.000 0.702 485 R N 2.778 123.184 120.500 -0.157 0.000 2.983 485 R HA 0.289 4.631 4.340 0.004 0.000 0.300 485 R C -0.372 175.714 176.300 -0.356 0.000 1.367 485 R CA -0.223 55.777 56.100 -0.166 0.000 1.564 485 R CB 0.172 30.400 30.300 -0.120 0.000 1.314 485 R HN 0.543 nan 8.270 nan 0.000 0.622 486 Y N -0.706 119.441 120.300 -0.255 0.000 2.314 486 Y HA 0.286 4.838 4.550 0.004 0.000 0.294 486 Y C 0.588 176.450 175.900 -0.064 0.000 1.139 486 Y CA 0.884 58.846 58.100 -0.230 0.000 1.162 486 Y CB 1.092 39.460 38.460 -0.154 0.000 1.121 486 Y HN -0.019 nan 8.280 nan 0.000 0.529 487 T N -0.944 113.715 114.554 0.175 0.000 2.901 487 T HA 0.137 4.490 4.350 0.004 0.000 0.293 487 T C -0.252 174.599 174.700 0.251 0.000 1.084 487 T CA -0.521 61.707 62.100 0.213 0.000 1.008 487 T CB 1.495 70.498 68.868 0.225 0.000 1.170 487 T HN 0.108 nan 8.240 nan 0.000 0.509 488 Y N 2.527 122.915 120.300 0.147 0.000 2.049 488 Y HA -0.189 4.363 4.550 0.004 0.000 0.277 488 Y C 2.678 178.639 175.900 0.102 0.000 1.143 488 Y CA 2.606 60.771 58.100 0.108 0.000 1.115 488 Y CB -0.595 37.890 38.460 0.042 0.000 0.975 488 Y HN 0.668 nan 8.280 nan 0.000 0.487 489 S N -1.022 114.789 115.700 0.186 0.000 2.626 489 S HA -0.141 4.332 4.470 0.004 0.000 0.245 489 S C 1.876 176.474 174.600 -0.003 0.000 0.973 489 S CA 0.922 59.146 58.200 0.039 0.000 0.959 489 S CB -0.782 62.442 63.200 0.039 0.000 0.762 489 S HN 0.529 nan 8.310 nan 0.000 0.539 490 S N 1.099 116.810 115.700 0.019 0.000 2.433 490 S HA -0.028 4.444 4.470 0.004 0.000 0.216 490 S C 1.884 176.473 174.600 -0.019 0.000 1.031 490 S CA 0.968 59.176 58.200 0.014 0.000 0.931 490 S CB -1.131 62.096 63.200 0.046 0.000 0.875 490 S HN 0.515 nan 8.310 nan 0.000 0.553 491 T N 3.719 118.241 114.554 -0.053 0.000 2.620 491 T HA -0.150 4.203 4.350 0.004 0.000 0.267 491 T C 1.725 176.356 174.700 -0.116 0.000 1.044 491 T CA 2.014 64.059 62.100 -0.092 0.000 1.161 491 T CB -0.845 67.959 68.868 -0.107 0.000 0.862 491 T HN 0.312 nan 8.240 nan 0.000 0.438 492 L N 0.749 121.829 121.223 -0.240 0.000 1.956 492 L HA -0.203 4.140 4.340 0.004 0.000 0.216 492 L C 2.895 179.714 176.870 -0.085 0.000 1.073 492 L CA 1.839 56.561 54.840 -0.198 0.000 0.762 492 L CB -0.795 41.109 42.059 -0.257 0.000 0.889 492 L HN 0.329 nan 8.230 nan 0.000 0.433 493 S N -1.397 114.265 115.700 -0.064 0.000 2.402 493 S HA -0.312 4.160 4.470 0.004 0.000 0.233 493 S C 2.068 176.662 174.600 -0.010 0.000 1.030 493 S CA 1.556 59.734 58.200 -0.036 0.000 1.003 493 S CB -0.519 62.664 63.200 -0.028 0.000 0.813 493 S HN 0.527 nan 8.310 nan 0.000 0.477 494 H N 0.030 119.055 119.070 -0.074 0.000 2.551 494 H HA 0.226 4.784 4.556 0.004 0.000 0.266 494 H C 1.589 176.886 175.328 -0.053 0.000 0.977 494 H CA 0.695 56.706 56.048 -0.063 0.000 1.163 494 H CB 0.063 29.786 29.762 -0.065 0.000 1.381 494 H HN 0.423 nan 8.280 nan 0.000 0.581 495 L N -0.153 121.073 121.223 0.006 0.000 2.416 495 L HA 0.109 4.451 4.340 0.004 0.000 0.216 495 L C 1.519 178.357 176.870 -0.053 0.000 1.098 495 L CA 0.311 55.149 54.840 -0.004 0.000 0.840 495 L CB 0.237 42.311 42.059 0.025 0.000 0.981 495 L HN 0.008 nan 8.230 nan 0.000 0.462 496 R N 0.057 120.515 120.500 -0.070 0.000 2.702 496 R HA 0.198 4.540 4.340 0.004 0.000 0.314 496 R C 0.167 176.411 176.300 -0.094 0.000 1.152 496 R CA -0.188 55.870 56.100 -0.070 0.000 1.097 496 R CB 0.199 30.468 30.300 -0.053 0.000 1.343 496 R HN 0.119 nan 8.270 nan 0.000 0.575 497 R N 0.212 120.631 120.500 -0.135 0.000 2.573 497 R HA 0.300 4.643 4.340 0.004 0.000 0.272 497 R C -0.672 175.556 176.300 -0.120 0.000 1.009 497 R CA -0.065 55.943 56.100 -0.154 0.000 1.059 497 R CB 1.538 31.684 30.300 -0.257 0.000 1.112 497 R HN -0.145 nan 8.270 nan 0.000 0.517 498 T N 2.063 116.558 114.554 -0.099 0.000 2.824 498 T HA 0.312 4.665 4.350 0.004 0.000 0.282 498 T C -1.063 173.596 174.700 -0.067 0.000 0.993 498 T CA -0.615 61.448 62.100 -0.062 0.000 0.967 498 T CB 1.151 70.006 68.868 -0.022 0.000 0.960 498 T HN 0.470 nan 8.240 nan 0.000 0.441 499 N N 1.049 119.713 118.700 -0.060 0.000 2.430 499 N HA 0.658 5.400 4.740 0.004 0.000 0.298 499 N C -1.285 174.211 175.510 -0.023 0.000 1.130 499 N CA -0.365 52.654 53.050 -0.051 0.000 0.894 499 N CB 1.470 39.917 38.487 -0.067 0.000 1.209 499 N HN 0.483 nan 8.380 nan 0.000 0.503 500 T N 2.648 117.194 114.554 -0.013 0.000 3.050 500 T HA 0.403 4.755 4.350 0.004 0.000 0.310 500 T C -2.557 172.144 174.700 0.001 0.000 0.978 500 T CA -0.853 61.250 62.100 0.005 0.000 1.013 500 T CB 1.693 70.575 68.868 0.024 0.000 1.000 500 T HN 0.412 nan 8.240 nan 0.000 0.447 501 P HA 0.655 nan 4.420 nan 0.000 0.286 501 P C 0.364 177.668 177.300 0.007 0.000 1.293 501 P CA -0.404 62.698 63.100 0.004 0.000 0.770 501 P CB 0.429 32.133 31.700 0.007 0.000 1.206 510 K N 0.848 121.243 120.400 -0.008 0.000 3.206 510 K HA 0.327 4.650 4.320 0.004 0.000 0.180 510 K C -2.508 174.110 176.600 0.030 0.000 1.088 510 K CA -1.177 55.117 56.287 0.011 0.000 0.872 510 K CB 1.443 33.954 32.500 0.017 0.000 0.976 510 K HN 0.136 nan 8.250 nan 0.000 0.564 511 P HA 0.059 nan 4.420 nan 0.000 0.255 511 P C 0.285 177.621 177.300 0.060 0.000 1.301 511 P CA 0.153 63.283 63.100 0.050 0.000 0.817 511 P CB 0.373 32.096 31.700 0.039 0.000 1.259 512 R N -1.216 119.310 120.500 0.043 0.000 2.146 512 R HA 0.119 4.461 4.340 0.004 0.000 0.206 512 R C 0.580 176.904 176.300 0.041 0.000 1.049 512 R CA -0.094 56.023 56.100 0.029 0.000 1.029 512 R CB -0.496 29.811 30.300 0.011 0.000 0.949 512 R HN 0.100 nan 8.270 nan 0.000 0.471 513 Q N 1.744 121.576 119.800 0.052 0.000 2.549 513 Q HA -0.107 4.236 4.340 0.004 0.000 0.347 513 Q C -0.671 175.399 176.000 0.117 0.000 1.081 513 Q CA 0.306 56.148 55.803 0.065 0.000 1.093 513 Q CB 0.240 29.019 28.738 0.068 0.000 1.067 513 Q HN 0.044 nan 8.270 nan 0.000 0.398 514 L N 4.862 126.145 121.223 0.099 0.000 2.600 514 L HA 0.066 4.409 4.340 0.004 0.000 0.278 514 L C -0.613 176.354 176.870 0.161 0.000 1.139 514 L CA 0.468 55.422 54.840 0.190 0.000 0.933 514 L CB -0.514 41.600 42.059 0.092 0.000 1.266 514 L HN 0.616 nan 8.230 nan 0.000 0.471 515 H N 3.970 123.050 119.070 0.017 0.000 2.683 515 H HA 0.187 4.745 4.556 0.004 0.000 0.339 515 H C 1.313 176.476 175.328 -0.275 0.000 1.081 515 H CA 0.416 56.331 56.048 -0.221 0.000 1.432 515 H CB 0.679 30.239 29.762 -0.337 0.000 1.462 515 H HN 0.743 nan 8.280 nan 0.000 0.557 516 N N 2.076 120.426 118.700 -0.582 0.000 2.139 516 N HA -0.291 4.451 4.740 0.004 0.000 0.199 516 N C 1.544 176.992 175.510 -0.104 0.000 1.003 516 N CA 2.324 55.191 53.050 -0.304 0.000 0.892 516 N CB -0.252 38.002 38.487 -0.388 0.000 1.039 516 N HN 0.785 nan 8.380 nan 0.000 0.461 517 T N -1.047 113.462 114.554 -0.075 0.000 2.833 517 T HA -0.132 4.220 4.350 0.004 0.000 0.269 517 T C 1.455 176.168 174.700 0.020 0.000 1.054 517 T CA 0.997 63.080 62.100 -0.028 0.000 1.135 517 T CB -0.577 68.211 68.868 -0.133 0.000 0.869 517 T HN 0.277 nan 8.240 nan 0.000 0.466 518 H N 0.017 119.053 119.070 -0.058 0.000 2.538 518 H HA -0.043 4.515 4.556 0.004 0.000 0.294 518 H C 0.892 176.187 175.328 -0.055 0.000 1.083 518 H CA 0.399 56.317 56.048 -0.217 0.000 1.233 518 H CB -0.845 28.755 29.762 -0.269 0.000 1.360 518 H HN 0.623 nan 8.280 nan 0.000 0.571 519 W N 2.358 123.656 121.300 -0.003 0.000 2.611 519 W HA 0.087 4.750 4.660 0.004 0.000 0.346 519 W C 0.708 177.217 176.519 -0.017 0.000 1.365 519 W CA 1.362 58.697 57.345 -0.017 0.000 1.313 519 W CB -0.263 29.179 29.460 -0.030 0.000 1.351 519 W HN 0.470 nan 8.180 nan 0.000 0.576 520 G N 3.996 112.421 108.800 -0.625 0.000 2.175 520 G HA2 -0.373 3.589 3.960 0.004 0.000 0.265 520 G HA3 -0.373 3.589 3.960 0.004 0.000 0.265 520 G C 0.349 175.114 174.900 -0.225 0.000 0.979 520 G CA 0.745 45.510 45.100 -0.557 0.000 0.663 520 G HN 0.560 nan 8.290 nan 0.000 0.533 521 L N -0.968 120.190 121.223 -0.108 0.000 2.488 521 L HA 0.459 4.801 4.340 0.004 0.000 0.186 521 L C 1.545 178.364 176.870 -0.084 0.000 1.124 521 L CA 0.463 55.286 54.840 -0.028 0.000 0.838 521 L CB -0.380 41.772 42.059 0.156 0.000 1.107 521 L HN 0.064 nan 8.230 nan 0.000 0.494 522 V N -0.185 119.628 119.914 -0.169 0.000 2.567 522 V HA 0.135 4.258 4.120 0.004 0.000 0.289 522 V C -0.116 175.840 176.094 -0.230 0.000 1.049 522 V CA -1.085 61.054 62.300 -0.268 0.000 0.969 522 V CB 1.698 33.172 31.823 -0.581 0.000 0.995 522 V HN 0.383 nan 8.190 nan 0.000 0.471 523 C N 8.351 127.532 119.300 -0.198 0.000 2.648 523 C HA 0.245 4.707 4.460 0.004 0.000 0.415 523 C C -0.195 174.699 174.990 -0.160 0.000 1.366 523 C CA -1.074 57.847 59.018 -0.161 0.000 1.756 523 C CB 0.137 27.801 27.740 -0.126 0.000 2.549 523 C HN 0.831 nan 8.230 nan 0.000 0.597 524 P HA -0.010 nan 4.420 nan 0.000 0.226 524 P C 0.890 178.143 177.300 -0.077 0.000 1.153 524 P CA 1.749 64.800 63.100 -0.082 0.000 0.777 524 P CB 0.162 31.839 31.700 -0.038 0.000 0.794 525 A N -0.044 122.727 122.820 -0.082 0.000 1.938 525 A HA 0.060 4.382 4.320 0.004 0.000 0.207 525 A C 1.260 178.785 177.584 -0.099 0.000 1.292 525 A CA 0.038 52.026 52.037 -0.081 0.000 0.700 525 A CB -0.800 18.163 19.000 -0.061 0.000 0.947 525 A HN 0.091 nan 8.150 nan 0.000 0.476 526 E N 0.856 120.997 120.200 -0.097 0.000 2.328 526 E HA 0.356 4.708 4.350 0.004 0.000 0.265 526 E C -0.533 176.007 176.600 -0.100 0.000 1.057 526 E CA 0.437 56.781 56.400 -0.092 0.000 0.916 526 E CB 0.179 29.826 29.700 -0.088 0.000 0.993 526 E HN 0.348 nan 8.360 nan 0.000 0.446 527 T N 4.119 118.620 114.554 -0.089 0.000 2.927 527 T HA 0.255 4.607 4.350 0.004 0.000 0.350 527 T C -2.920 171.742 174.700 -0.063 0.000 1.746 527 T CA -1.313 60.738 62.100 -0.082 0.000 1.081 527 T CB 1.181 69.991 68.868 -0.096 0.000 1.551 527 T HN 0.254 nan 8.240 nan 0.000 0.489 528 P HA 0.486 nan 4.420 nan 0.000 0.276 528 P C -0.782 176.506 177.300 -0.019 0.000 1.244 528 P CA -0.265 62.822 63.100 -0.022 0.000 0.801 528 P CB 0.724 32.414 31.700 -0.016 0.000 1.006 529 E N -0.304 119.900 120.200 0.006 0.000 2.232 529 E HA 0.522 4.875 4.350 0.004 0.000 0.265 529 E C 0.862 177.471 176.600 0.015 0.000 1.001 529 E CA -0.553 55.857 56.400 0.017 0.000 0.870 529 E CB 0.367 30.108 29.700 0.068 0.000 1.175 529 E HN 0.716 nan 8.360 nan 0.000 0.407 530 G N 0.855 109.664 108.800 0.015 0.000 2.574 530 G HA2 -0.463 3.499 3.960 0.004 0.000 0.286 530 G HA3 -0.463 3.499 3.960 0.004 0.000 0.286 530 G C 0.644 175.545 174.900 0.002 0.000 1.212 530 G CA 0.696 45.802 45.100 0.010 0.000 0.979 530 G HN 0.710 nan 8.290 nan 0.000 0.557 531 Q N -1.593 118.208 119.800 0.001 0.000 2.761 531 Q HA -0.298 4.044 4.340 0.004 0.000 0.473 531 Q C 1.965 177.962 176.000 -0.004 0.000 0.472 531 Q CA 3.243 59.045 55.803 -0.002 0.000 1.027 531 Q CB -1.171 27.565 28.738 -0.003 0.000 1.593 531 Q HN 2.119 nan 8.270 nan 0.000 1.128 532 A N -0.260 122.555 122.820 -0.008 0.000 3.106 532 A HA 0.350 4.672 4.320 0.004 0.000 0.306 532 A C -0.445 177.128 177.584 -0.018 0.000 1.192 532 A CA -0.423 51.607 52.037 -0.011 0.000 0.994 532 A CB 0.181 19.173 19.000 -0.013 0.000 1.107 532 A HN 0.503 nan 8.150 nan 0.000 0.585 533 C N 0.503 119.793 119.300 -0.016 0.000 2.633 533 C HA 0.436 4.898 4.460 0.004 0.000 0.415 533 C C 1.876 176.849 174.990 -0.027 0.000 1.393 533 C CA 1.625 60.628 59.018 -0.024 0.000 1.700 533 C CB -1.470 26.259 27.740 -0.019 0.000 2.541 533 C HN 1.810 nan 8.230 nan 0.000 0.603 534 G N 4.800 113.574 108.800 -0.043 0.000 2.189 534 G HA2 -0.266 3.696 3.960 0.004 0.000 0.267 534 G HA3 -0.266 3.696 3.960 0.004 0.000 0.267 534 G C 0.592 175.471 174.900 -0.035 0.000 0.975 534 G CA 0.782 45.855 45.100 -0.046 0.000 0.644 534 G HN 0.754 nan 8.290 nan 0.000 0.537 535 L N -0.390 120.815 121.223 -0.029 0.000 2.221 535 L HA 0.222 4.564 4.340 0.004 0.000 0.202 535 L C 1.371 178.221 176.870 -0.033 0.000 1.074 535 L CA 0.484 55.312 54.840 -0.019 0.000 0.795 535 L CB -0.060 41.992 42.059 -0.011 0.000 0.960 535 L HN 0.133 nan 8.230 nan 0.000 0.458 536 V N 2.132 122.018 119.914 -0.047 0.000 2.498 536 V HA 0.204 4.326 4.120 0.004 0.000 0.279 536 V C 0.007 176.048 176.094 -0.088 0.000 1.048 536 V CA -0.346 61.916 62.300 -0.062 0.000 0.967 536 V CB 1.046 32.834 31.823 -0.058 0.000 0.988 536 V HN 0.226 nan 8.190 nan 0.000 0.473 537 K N 3.861 124.199 120.400 -0.103 0.000 2.372 537 K HA 0.612 4.934 4.320 0.004 0.000 0.251 537 K C -1.285 175.241 176.600 -0.124 0.000 1.055 537 K CA -0.966 55.237 56.287 -0.140 0.000 0.879 537 K CB 2.019 34.385 32.500 -0.222 0.000 1.384 537 K HN 0.517 nan 8.250 nan 0.000 0.465 538 N N 0.812 119.431 118.700 -0.135 0.000 2.249 538 N HA 0.341 5.084 4.740 0.004 0.000 0.296 538 N C -0.628 174.815 175.510 -0.111 0.000 1.051 538 N CA -0.685 52.299 53.050 -0.111 0.000 0.815 538 N CB 2.124 40.552 38.487 -0.099 0.000 1.487 538 N HN 0.335 nan 8.380 nan 0.000 0.475 539 L N 1.650 122.823 121.223 -0.084 0.000 2.410 539 L HA 0.108 4.450 4.340 0.004 0.000 0.273 539 L C 1.559 178.382 176.870 -0.079 0.000 1.152 539 L CA -0.273 54.523 54.840 -0.074 0.000 0.855 539 L CB 0.287 42.313 42.059 -0.055 0.000 1.129 539 L HN 0.622 nan 8.230 nan 0.000 0.463 540 S N 3.358 118.999 115.700 -0.098 0.000 2.572 540 S HA 0.093 4.565 4.470 0.004 0.000 0.267 540 S C 1.278 175.849 174.600 -0.048 0.000 1.361 540 S CA -0.545 57.598 58.200 -0.096 0.000 1.009 540 S CB 0.664 63.774 63.200 -0.150 0.000 0.888 540 S HN 0.570 nan 8.310 nan 0.000 0.553 541 L N 0.321 121.544 121.223 0.000 0.000 1.989 541 L HA -0.113 4.229 4.340 0.004 0.000 0.211 541 L C 2.429 179.382 176.870 0.139 0.000 1.071 541 L CA 1.599 56.517 54.840 0.131 0.000 0.749 541 L CB -0.487 41.706 42.059 0.224 0.000 0.890 541 L HN 0.708 nan 8.230 nan 0.000 0.431 542 M N 0.230 119.818 119.600 -0.020 0.000 2.654 542 M HA 0.040 4.523 4.480 0.004 0.000 0.217 542 M C 0.401 176.505 176.300 -0.327 0.000 1.183 542 M CA 0.003 55.164 55.300 -0.233 0.000 0.991 542 M CB -0.357 31.994 32.600 -0.415 0.000 1.749 542 M HN 0.262 nan 8.290 nan 0.000 0.475 543 S N -0.444 115.132 115.700 -0.206 0.000 2.537 543 S HA 0.682 5.154 4.470 0.004 0.000 0.301 543 S C -0.369 174.041 174.600 -0.317 0.000 1.092 543 S CA -0.945 57.076 58.200 -0.298 0.000 1.048 543 S CB 1.841 64.922 63.200 -0.199 0.000 1.053 543 S HN 0.395 nan 8.310 nan 0.000 0.501 544 C N 1.941 120.881 119.300 -0.601 0.000 2.971 544 C HA 0.697 5.159 4.460 0.004 0.000 0.310 544 C C 0.031 174.676 174.990 -0.574 0.000 1.285 544 C CA -1.191 57.495 59.018 -0.553 0.000 1.593 544 C CB -0.043 27.326 27.740 -0.618 0.000 2.076 544 C HN 0.923 nan 8.230 nan 0.000 0.472 545 I N 2.070 122.514 120.570 -0.209 0.000 2.577 545 I HA 0.370 4.542 4.170 0.004 0.000 0.300 545 I C 1.123 177.377 176.117 0.227 0.000 0.990 545 I CA 0.335 61.632 61.300 -0.005 0.000 1.283 545 I CB 1.382 39.377 38.000 -0.008 0.000 1.411 545 I HN 0.944 nan 8.210 nan 0.000 0.515 546 S N 3.294 119.154 115.700 0.267 0.000 2.606 546 S HA 0.177 4.649 4.470 0.004 0.000 0.257 546 S C 0.337 174.979 174.600 0.070 0.000 1.327 546 S CA -0.392 57.896 58.200 0.147 0.000 0.984 546 S CB 1.557 64.762 63.200 0.008 0.000 0.941 546 S HN 0.511 nan 8.310 nan 0.000 0.576 547 V N 0.225 120.152 119.914 0.022 0.000 3.229 547 V HA 0.544 4.667 4.120 0.004 0.000 0.239 547 V C 0.782 176.865 176.094 -0.019 0.000 1.390 547 V CA 0.841 63.148 62.300 0.011 0.000 1.231 547 V CB 0.318 32.151 31.823 0.017 0.000 1.025 547 V HN 1.726 nan 8.190 nan 0.000 0.461 548 G N 1.476 110.250 108.800 -0.043 0.000 2.949 548 G HA2 -0.028 3.934 3.960 0.004 0.000 0.658 548 G HA3 -0.028 3.934 3.960 0.004 0.000 0.658 548 G C -0.323 174.525 174.900 -0.087 0.000 1.194 548 G CA -0.147 44.923 45.100 -0.051 0.000 1.204 548 G HN 0.439 nan 8.290 nan 0.000 0.524 549 T N 0.579 115.088 114.554 -0.076 0.000 2.865 549 T HA 0.615 4.968 4.350 0.004 0.000 0.302 549 T C -0.067 174.597 174.700 -0.060 0.000 1.078 549 T CA -0.326 61.720 62.100 -0.090 0.000 0.942 549 T CB 1.160 69.982 68.868 -0.077 0.000 1.387 549 T HN 0.476 nan 8.240 nan 0.000 0.557 550 D N 0.665 121.035 120.400 -0.050 0.000 2.233 550 D HA 0.365 5.007 4.640 0.004 0.000 0.240 550 D C -1.680 174.612 176.300 -0.013 0.000 1.074 550 D CA -2.518 51.470 54.000 -0.021 0.000 0.838 550 D CB 1.580 42.373 40.800 -0.012 0.000 1.124 550 D HN 0.006 nan 8.370 nan 0.000 0.475 551 P HA -0.104 nan 4.420 nan 0.000 0.217 551 P C 1.464 178.753 177.300 -0.019 0.000 1.150 551 P CA 1.335 64.437 63.100 0.002 0.000 0.832 551 P CB -0.090 31.631 31.700 0.035 0.000 0.787 552 M N -1.709 117.886 119.600 -0.007 0.000 2.394 552 M HA 0.116 4.598 4.480 0.004 0.000 0.264 552 M C -1.098 175.200 176.300 -0.004 0.000 1.073 552 M CA 1.696 56.990 55.300 -0.011 0.000 1.111 552 M CB -2.131 30.474 32.600 0.008 0.000 1.401 552 M HN -0.098 nan 8.290 nan 0.000 0.448 553 P HA -0.024 nan 4.420 nan 0.000 0.229 553 P C 1.557 178.872 177.300 0.024 0.000 1.160 553 P CA 0.928 64.038 63.100 0.017 0.000 0.777 553 P CB -0.119 31.584 31.700 0.005 0.000 0.814 554 I N -0.150 120.410 120.570 -0.018 0.000 2.277 554 I HA -0.132 4.040 4.170 0.004 0.000 0.243 554 I C 2.351 178.465 176.117 -0.004 0.000 1.094 554 I CA 0.829 62.110 61.300 -0.032 0.000 1.393 554 I CB -0.982 36.974 38.000 -0.074 0.000 1.078 554 I HN -0.137 nan 8.210 nan 0.000 0.417 555 I N 0.910 121.434 120.570 -0.077 0.000 2.068 555 I HA -0.336 3.836 4.170 0.004 0.000 0.238 555 I C 2.579 178.675 176.117 -0.035 0.000 1.046 555 I CA 1.754 62.972 61.300 -0.137 0.000 1.306 555 I CB -1.970 35.923 38.000 -0.179 0.000 1.023 555 I HN 0.179 nan 8.210 nan 0.000 0.399 556 T N 0.651 115.207 114.554 0.004 0.000 2.760 556 T HA -0.249 4.103 4.350 0.004 0.000 0.269 556 T C 1.734 176.468 174.700 0.057 0.000 1.047 556 T CA 1.544 63.660 62.100 0.027 0.000 1.139 556 T CB -0.453 68.437 68.868 0.036 0.000 0.855 556 T HN 0.312 nan 8.240 nan 0.000 0.471 557 F N 0.324 120.248 119.950 -0.043 0.000 2.293 557 F HA 0.184 4.713 4.527 0.004 0.000 0.297 557 F C 1.779 177.582 175.800 0.005 0.000 1.089 557 F CA 0.608 58.586 58.000 -0.038 0.000 1.377 557 F CB -0.031 38.896 39.000 -0.122 0.000 1.051 557 F HN 0.069 nan 8.300 nan 0.000 0.511 558 L N -0.301 121.034 121.223 0.186 0.000 1.993 558 L HA -0.207 4.136 4.340 0.004 0.000 0.206 558 L C 2.812 179.674 176.870 -0.012 0.000 1.074 558 L CA 1.535 56.435 54.840 0.101 0.000 0.746 558 L CB -1.073 40.993 42.059 0.012 0.000 0.896 558 L HN 0.224 nan 8.230 nan 0.000 0.435 559 S N -0.751 114.922 115.700 -0.045 0.000 2.419 559 S HA -0.228 4.245 4.470 0.004 0.000 0.235 559 S C 1.533 176.090 174.600 -0.072 0.000 1.019 559 S CA 1.309 59.468 58.200 -0.070 0.000 0.982 559 S CB -0.428 62.736 63.200 -0.059 0.000 0.789 559 S HN 0.462 nan 8.310 nan 0.000 0.490 560 E N -1.255 118.908 120.200 -0.061 0.000 2.465 560 E HA 0.111 4.463 4.350 0.004 0.000 0.191 560 E C -0.383 176.173 176.600 -0.073 0.000 1.053 560 E CA -0.121 56.233 56.400 -0.077 0.000 0.869 560 E CB 0.132 29.791 29.700 -0.069 0.000 0.977 560 E HN 0.745 nan 8.360 nan 0.000 0.483 561 W N -0.157 120.966 121.300 -0.295 0.000 1.686 561 W HA 0.277 4.940 4.660 0.004 0.000 0.263 561 W C 0.644 177.073 176.519 -0.150 0.000 0.860 561 W CA 0.246 57.439 57.345 -0.253 0.000 1.635 561 W CB 1.126 30.360 29.460 -0.377 0.000 0.998 561 W HN 0.159 nan 8.180 nan 0.000 0.464 562 G N 0.676 109.417 108.800 -0.098 0.000 1.954 562 G HA2 -0.082 3.881 3.960 0.004 0.000 0.169 562 G HA3 -0.082 3.881 3.960 0.004 0.000 0.169 562 G C 0.187 174.900 174.900 -0.312 0.000 1.013 562 G CA -0.344 44.649 45.100 -0.178 0.000 1.258 562 G HN 0.417 nan 8.290 nan 0.000 0.442 563 M N 1.563 120.747 119.600 -0.693 0.000 4.007 563 M HA -0.101 4.382 4.480 0.004 0.000 0.157 563 M C -0.210 175.993 176.300 -0.161 0.000 1.527 563 M CA 1.305 56.396 55.300 -0.348 0.000 1.085 563 M CB -1.010 31.441 32.600 -0.248 0.000 1.344 563 M HN 0.547 nan 8.290 nan 0.000 0.235 564 E N 6.885 127.019 120.200 -0.110 0.000 2.383 564 E HA 0.350 4.702 4.350 0.004 0.000 0.264 564 E C -2.137 174.372 176.600 -0.151 0.000 1.050 564 E CA -1.445 54.892 56.400 -0.105 0.000 0.896 564 E CB 0.468 30.122 29.700 -0.078 0.000 0.982 564 E HN 0.488 nan 8.360 nan 0.000 0.424 565 P HA -0.055 nan 4.420 nan 0.000 0.274 565 P C 0.262 177.385 177.300 -0.294 0.000 1.237 565 P CA -0.181 62.806 63.100 -0.189 0.000 0.793 565 P CB 0.828 32.436 31.700 -0.154 0.000 0.977 566 L N 2.332 123.317 121.223 -0.396 0.000 2.044 566 L HA -0.148 4.194 4.340 0.004 0.000 0.205 566 L C 2.198 178.737 176.870 -0.551 0.000 1.075 566 L CA 1.842 56.287 54.840 -0.658 0.000 0.747 566 L CB -1.279 40.352 42.059 -0.714 0.000 0.903 566 L HN 0.412 nan 8.230 nan 0.000 0.435 567 E N -1.242 118.781 120.200 -0.296 0.000 2.401 567 E HA -0.229 4.123 4.350 0.004 0.000 0.199 567 E C 0.428 177.006 176.600 -0.037 0.000 1.023 567 E CA 1.253 57.597 56.400 -0.093 0.000 0.859 567 E CB -0.558 29.075 29.700 -0.111 0.000 0.780 567 E HN 0.517 nan 8.360 nan 0.000 0.523 568 D N -0.006 120.331 120.400 -0.105 0.000 2.358 568 D HA 0.021 4.663 4.640 0.004 0.000 0.224 568 D C -0.806 175.483 176.300 -0.018 0.000 1.123 568 D CA -0.117 53.852 54.000 -0.053 0.000 0.833 568 D CB -0.360 40.398 40.800 -0.069 0.000 0.946 568 D HN 0.138 nan 8.370 nan 0.000 0.505 569 Y N 1.774 121.924 120.300 -0.249 0.000 2.365 569 Y HA 0.302 4.854 4.550 0.004 0.000 0.340 569 Y C -0.238 175.621 175.900 -0.068 0.000 1.016 569 Y CA -1.736 56.191 58.100 -0.289 0.000 1.196 569 Y CB 0.581 38.600 38.460 -0.734 0.000 1.167 569 Y HN -0.223 nan 8.280 nan 0.000 0.509 570 V N 8.267 127.991 119.914 -0.317 0.000 2.288 570 V HA 0.339 4.462 4.120 0.004 0.000 0.266 570 V C -2.135 173.498 176.094 -0.768 0.000 1.048 570 V CA -1.669 60.335 62.300 -0.494 0.000 0.842 570 V CB 0.982 32.561 31.823 -0.406 0.000 1.064 570 V HN 0.666 nan 8.190 nan 0.000 0.472 571 P HA -0.115 nan 4.420 nan 0.000 0.222 571 P C 1.426 178.629 177.300 -0.163 0.000 1.153 571 P CA 1.436 64.162 63.100 -0.623 0.000 0.798 571 P CB -0.044 31.498 31.700 -0.263 0.000 0.796 572 H N -0.285 118.716 119.070 -0.115 0.000 2.521 572 H HA -0.006 4.552 4.556 0.004 0.000 0.286 572 H C 1.631 176.947 175.328 -0.020 0.000 1.034 572 H CA 0.877 56.901 56.048 -0.040 0.000 1.278 572 H CB -0.130 29.603 29.762 -0.048 0.000 1.386 572 H HN 0.254 nan 8.280 nan 0.000 0.567 573 Q N 0.864 120.485 119.800 -0.298 0.000 2.288 573 Q HA 0.154 4.496 4.340 0.004 0.000 0.256 573 Q C -0.061 175.895 176.000 -0.074 0.000 0.835 573 Q CA -0.089 55.601 55.803 -0.189 0.000 0.958 573 Q CB 1.096 29.599 28.738 -0.391 0.000 1.125 573 Q HN 0.187 nan 8.270 nan 0.000 0.513 574 S N 2.982 118.652 115.700 -0.049 0.000 2.468 574 S HA 0.258 4.731 4.470 0.004 0.000 0.190 574 S C -2.228 172.448 174.600 0.127 0.000 1.445 574 S CA -1.129 57.117 58.200 0.077 0.000 1.084 574 S CB 1.435 64.756 63.200 0.200 0.000 1.175 574 S HN 0.332 nan 8.310 nan 0.000 0.484 575 P HA 0.034 nan 4.420 nan 0.000 0.209 575 P C -0.340 177.024 177.300 0.106 0.000 1.201 575 P CA 0.654 63.816 63.100 0.104 0.000 0.911 575 P CB -0.368 31.380 31.700 0.079 0.000 0.758 576 D N 0.392 120.836 120.400 0.073 0.000 2.371 576 D HA 0.415 5.057 4.640 0.004 0.000 0.256 576 D C -0.357 175.974 176.300 0.051 0.000 1.193 576 D CA -0.497 53.536 54.000 0.056 0.000 0.881 576 D CB -0.189 40.632 40.800 0.034 0.000 1.143 576 D HN 0.342 nan 8.370 nan 0.000 0.473 577 A N 2.586 125.435 122.820 0.049 0.000 2.045 577 A HA 0.343 4.665 4.320 0.004 0.000 0.298 577 A C -0.050 177.553 177.584 0.032 0.000 1.052 577 A CA -1.032 51.030 52.037 0.041 0.000 0.961 577 A CB -0.246 18.800 19.000 0.078 0.000 1.350 577 A HN 0.409 nan 8.150 nan 0.000 0.352 578 T N 3.546 118.112 114.554 0.019 0.000 2.891 578 T HA 0.175 4.527 4.350 0.004 0.000 0.296 578 T C 0.868 175.601 174.700 0.054 0.000 1.025 578 T CA 0.791 62.907 62.100 0.026 0.000 1.149 578 T CB -0.127 68.756 68.868 0.024 0.000 1.007 578 T HN 0.744 nan 8.240 nan 0.000 0.528 579 R N 1.548 122.068 120.500 0.034 0.000 2.459 579 R HA 0.649 4.991 4.340 0.004 0.000 0.281 579 R C -1.093 175.292 176.300 0.142 0.000 1.050 579 R CA -0.921 55.231 56.100 0.087 0.000 1.055 579 R CB 0.629 30.869 30.300 -0.100 0.000 1.045 579 R HN 0.309 nan 8.270 nan 0.000 0.495 580 V N 2.751 122.803 119.914 0.230 0.000 2.555 580 V HA 0.444 4.567 4.120 0.004 0.000 0.302 580 V C -1.034 175.208 176.094 0.246 0.000 1.038 580 V CA -0.634 61.803 62.300 0.230 0.000 0.887 580 V CB 1.271 33.192 31.823 0.163 0.000 0.991 580 V HN 0.567 nan 8.190 nan 0.000 0.434 581 F N 3.187 123.116 119.950 -0.035 0.000 2.499 581 F HA 0.615 5.145 4.527 0.004 0.000 0.333 581 F C -0.201 175.584 175.800 -0.025 0.000 1.138 581 F CA -0.733 57.241 58.000 -0.045 0.000 0.945 581 F CB 2.175 41.046 39.000 -0.215 0.000 1.181 581 F HN 0.166 nan 8.300 nan 0.000 0.435 582 V N 4.378 124.441 119.914 0.249 0.000 2.326 582 V HA 0.294 4.417 4.120 0.004 0.000 0.281 582 V C -0.279 175.948 176.094 0.222 0.000 1.015 582 V CA -0.987 61.419 62.300 0.177 0.000 0.823 582 V CB 1.074 32.953 31.823 0.094 0.000 1.009 582 V HN 0.829 nan 8.190 nan 0.000 0.436 583 N N 3.698 122.526 118.700 0.213 0.000 2.741 583 N HA -0.191 4.551 4.740 0.004 0.000 0.250 583 N C 1.061 176.759 175.510 0.314 0.000 1.115 583 N CA 1.784 55.041 53.050 0.345 0.000 0.724 583 N CB -1.158 37.463 38.487 0.224 0.000 1.090 583 N HN 1.509 nan 8.380 nan 0.000 0.558 584 G N -2.629 106.366 108.800 0.325 0.000 2.147 584 G HA2 -0.254 3.709 3.960 0.004 0.000 0.244 584 G HA3 -0.254 3.709 3.960 0.004 0.000 0.244 584 G C -0.126 174.880 174.900 0.176 0.000 1.005 584 G CA 0.225 45.561 45.100 0.394 0.000 0.713 584 G HN 0.549 nan 8.290 nan 0.000 0.515 585 V N 0.545 120.454 119.914 -0.009 0.000 2.435 585 V HA 0.579 4.702 4.120 0.004 0.000 0.290 585 V C 0.277 176.063 176.094 -0.514 0.000 1.030 585 V CA -1.101 61.024 62.300 -0.291 0.000 0.881 585 V CB 1.589 33.221 31.823 -0.318 0.000 0.983 585 V HN 0.329 nan 8.190 nan 0.000 0.445 586 W N 5.113 125.974 121.300 -0.732 0.000 2.388 586 W HA 0.341 5.004 4.660 0.004 0.000 0.308 586 W C 0.801 176.966 176.519 -0.591 0.000 1.263 586 W CA -0.506 56.388 57.345 -0.751 0.000 1.286 586 W CB 0.129 29.328 29.460 -0.435 0.000 1.294 586 W HN 0.669 nan 8.180 nan 0.000 0.493 587 H N 4.231 123.317 119.070 0.026 0.000 2.520 587 H HA 0.274 4.832 4.556 0.004 0.000 0.284 587 H C 1.263 176.467 175.328 -0.206 0.000 1.037 587 H CA 0.869 56.861 56.048 -0.094 0.000 1.168 587 H CB 0.226 29.960 29.762 -0.047 0.000 1.497 587 H HN 0.622 nan 8.280 nan 0.000 0.547 588 G N 0.364 108.990 108.800 -0.290 0.000 2.447 588 G HA2 -0.173 3.789 3.960 0.004 0.000 0.220 588 G HA3 -0.173 3.789 3.960 0.004 0.000 0.220 588 G C -0.783 174.046 174.900 -0.117 0.000 1.261 588 G CA -0.303 44.509 45.100 -0.481 0.000 1.000 588 G HN 0.141 nan 8.290 nan 0.000 0.515 589 V N -0.421 119.351 119.914 -0.237 0.000 3.284 589 V HA 0.941 5.064 4.120 0.004 0.000 0.309 589 V C -0.131 175.991 176.094 0.046 0.000 1.190 589 V CA -0.277 61.949 62.300 -0.123 0.000 1.038 589 V CB 1.925 33.499 31.823 -0.416 0.000 1.198 589 V HN 1.416 nan 8.190 nan 0.000 0.465 590 H N 1.454 120.499 119.070 -0.040 0.000 3.163 590 H HA 0.383 4.941 4.556 0.004 0.000 0.322 590 H C -0.796 174.536 175.328 0.007 0.000 1.047 590 H CA -0.890 55.155 56.048 -0.005 0.000 1.418 590 H CB 1.074 30.851 29.762 0.025 0.000 2.016 590 H HN 0.720 nan 8.280 nan 0.000 0.454 591 R N 3.714 124.223 120.500 0.015 0.000 2.404 591 R HA 0.366 4.708 4.340 0.004 0.000 0.291 591 R C -0.317 175.776 176.300 -0.345 0.000 1.025 591 R CA -0.703 55.330 56.100 -0.113 0.000 0.991 591 R CB 0.613 30.904 30.300 -0.015 0.000 1.053 591 R HN 0.723 nan 8.270 nan 0.000 0.479 592 N N 2.142 120.691 118.700 -0.252 0.000 2.610 592 N HA -0.088 4.654 4.740 0.004 0.000 0.271 592 N C -1.928 173.339 175.510 -0.406 0.000 1.146 592 N CA 0.300 53.205 53.050 -0.242 0.000 0.711 592 N CB 0.072 38.473 38.487 -0.144 0.000 0.883 592 N HN 0.625 nan 8.380 nan 0.000 0.548 593 P HA 0.127 nan 4.420 nan 0.000 0.261 593 P C 1.116 178.395 177.300 -0.035 0.000 1.268 593 P CA 0.578 63.580 63.100 -0.164 0.000 0.833 593 P CB 0.157 31.814 31.700 -0.072 0.000 1.231 594 A N 1.326 124.119 122.820 -0.045 0.000 1.892 594 A HA -0.207 4.115 4.320 0.004 0.000 0.218 594 A C 2.503 180.101 177.584 0.023 0.000 1.188 594 A CA 1.789 53.821 52.037 -0.009 0.000 0.631 594 A CB -1.198 17.793 19.000 -0.015 0.000 0.822 594 A HN 0.094 nan 8.150 nan 0.000 0.447 595 R N -1.129 119.394 120.500 0.038 0.000 2.093 595 R HA -0.002 4.340 4.340 0.004 0.000 0.224 595 R C 2.068 178.472 176.300 0.173 0.000 1.101 595 R CA 1.073 57.231 56.100 0.096 0.000 0.979 595 R CB -0.326 30.032 30.300 0.096 0.000 0.877 595 R HN 0.467 nan 8.270 nan 0.000 0.441 596 L N 0.526 121.868 121.223 0.199 0.000 2.012 596 L HA -0.152 4.190 4.340 0.004 0.000 0.210 596 L C 2.111 179.078 176.870 0.163 0.000 1.073 596 L CA 1.883 56.898 54.840 0.293 0.000 0.748 596 L CB -0.490 41.807 42.059 0.398 0.000 0.891 596 L HN 0.207 nan 8.230 nan 0.000 0.431 597 M N -0.217 119.442 119.600 0.098 0.000 2.213 597 M HA -0.181 4.301 4.480 0.004 0.000 0.263 597 M C 2.193 178.505 176.300 0.019 0.000 1.062 597 M CA 1.902 57.228 55.300 0.044 0.000 1.105 597 M CB -0.427 32.189 32.600 0.027 0.000 1.385 597 M HN 0.525 nan 8.290 nan 0.000 0.417 598 E N -1.523 118.698 120.200 0.035 0.000 2.106 598 E HA -0.152 4.201 4.350 0.004 0.000 0.192 598 E C 1.535 178.134 176.600 -0.001 0.000 0.984 598 E CA 1.781 58.192 56.400 0.019 0.000 0.806 598 E CB -0.068 29.653 29.700 0.034 0.000 0.750 598 E HN 0.478 nan 8.360 nan 0.000 0.458 599 T N 0.912 115.476 114.554 0.016 0.000 2.821 599 T HA -0.061 4.292 4.350 0.004 0.000 0.267 599 T C 1.727 176.313 174.700 -0.189 0.000 1.046 599 T CA 0.794 62.852 62.100 -0.070 0.000 1.139 599 T CB -0.094 68.724 68.868 -0.083 0.000 0.871 599 T HN 0.154 nan 8.240 nan 0.000 0.454 600 L N 0.181 121.308 121.223 -0.160 0.000 2.093 600 L HA -0.038 4.304 4.340 0.004 0.000 0.208 600 L C 2.859 179.621 176.870 -0.180 0.000 1.085 600 L CA 1.290 55.989 54.840 -0.234 0.000 0.755 600 L CB -0.284 41.679 42.059 -0.159 0.000 0.904 600 L HN 0.183 nan 8.230 nan 0.000 0.435 601 R N -0.753 119.683 120.500 -0.106 0.000 2.062 601 R HA -0.116 4.226 4.340 0.004 0.000 0.231 601 R C 2.218 178.463 176.300 -0.092 0.000 1.136 601 R CA 1.998 58.050 56.100 -0.079 0.000 0.948 601 R CB -0.606 29.670 30.300 -0.040 0.000 0.845 601 R HN 0.302 nan 8.270 nan 0.000 0.430 602 T N 1.897 116.400 114.554 -0.085 0.000 2.803 602 T HA -0.118 4.234 4.350 0.004 0.000 0.269 602 T C 1.836 176.469 174.700 -0.112 0.000 1.052 602 T CA 0.950 63.002 62.100 -0.080 0.000 1.136 602 T CB -0.164 68.672 68.868 -0.053 0.000 0.864 602 T HN 0.095 nan 8.240 nan 0.000 0.467 603 L N 0.689 121.812 121.223 -0.167 0.000 1.970 603 L HA -0.145 4.197 4.340 0.004 0.000 0.212 603 L C 3.024 179.791 176.870 -0.172 0.000 1.071 603 L CA 1.749 56.465 54.840 -0.205 0.000 0.751 603 L CB -0.712 41.139 42.059 -0.347 0.000 0.889 603 L HN 0.231 nan 8.230 nan 0.000 0.432 604 R N 1.027 121.424 120.500 -0.171 0.000 2.091 604 R HA -0.172 4.171 4.340 0.004 0.000 0.238 604 R C 2.049 178.269 176.300 -0.133 0.000 1.136 604 R CA 1.449 57.462 56.100 -0.145 0.000 0.959 604 R CB -0.118 30.105 30.300 -0.129 0.000 0.856 604 R HN 0.274 nan 8.270 nan 0.000 0.437 605 R N 0.053 120.482 120.500 -0.118 0.000 2.343 605 R HA -0.004 4.339 4.340 0.004 0.000 0.202 605 R C 1.644 177.876 176.300 -0.113 0.000 1.023 605 R CA 0.593 56.622 56.100 -0.117 0.000 1.084 605 R CB 0.135 30.384 30.300 -0.085 0.000 0.956 605 R HN 0.190 nan 8.270 nan 0.000 0.478 606 K N -1.766 118.567 120.400 -0.111 0.000 2.462 606 K HA 0.105 4.428 4.320 0.004 0.000 0.201 606 K C 0.882 177.422 176.600 -0.100 0.000 1.268 606 K CA 0.803 57.032 56.287 -0.096 0.000 0.933 606 K CB 1.000 33.453 32.500 -0.079 0.000 1.162 606 K HN 0.182 nan 8.250 nan 0.000 0.527 607 G N 0.779 109.513 108.800 -0.110 0.000 2.421 607 G HA2 -0.170 3.792 3.960 0.004 0.000 0.188 607 G HA3 -0.170 3.792 3.960 0.004 0.000 0.188 607 G C 0.354 175.194 174.900 -0.099 0.000 1.001 607 G CA 0.229 45.268 45.100 -0.102 0.000 0.693 607 G HN 0.260 nan 8.290 nan 0.000 0.479 608 D N 0.364 120.698 120.400 -0.109 0.000 2.354 608 D HA 0.017 4.660 4.640 0.004 0.000 0.216 608 D C 0.578 176.786 176.300 -0.152 0.000 0.970 608 D CA 0.886 54.817 54.000 -0.115 0.000 0.905 608 D CB 0.383 41.112 40.800 -0.117 0.000 0.903 608 D HN 0.287 nan 8.370 nan 0.000 0.508 609 I N 1.463 121.931 120.570 -0.170 0.000 2.439 609 I HA 0.058 4.231 4.170 0.004 0.000 0.285 609 I C 0.209 176.249 176.117 -0.128 0.000 1.021 609 I CA -1.203 59.993 61.300 -0.173 0.000 1.091 609 I CB 1.301 39.159 38.000 -0.236 0.000 1.242 609 I HN -0.214 nan 8.210 nan 0.000 0.439 610 N N 9.044 127.684 118.700 -0.100 0.000 2.132 610 N HA -0.074 4.669 4.740 0.004 0.000 0.280 610 N C -1.708 173.760 175.510 -0.071 0.000 1.318 610 N CA -0.440 52.566 53.050 -0.073 0.000 0.822 610 N CB 0.953 39.400 38.487 -0.066 0.000 1.058 610 N HN 0.296 nan 8.380 nan 0.000 0.489 611 P HA -0.141 nan 4.420 nan 0.000 0.222 611 P C 0.886 178.191 177.300 0.008 0.000 1.142 611 P CA 1.016 64.083 63.100 -0.056 0.000 0.788 611 P CB 0.291 31.921 31.700 -0.116 0.000 0.767 612 E N -0.429 119.750 120.200 -0.035 0.000 2.031 612 E HA -0.091 4.261 4.350 0.004 0.000 0.193 612 E C 0.283 176.758 176.600 -0.209 0.000 0.994 612 E CA 0.782 57.042 56.400 -0.233 0.000 0.800 612 E CB -0.347 29.238 29.700 -0.191 0.000 0.752 612 E HN 0.015 nan 8.360 nan 0.000 0.447 613 V N 3.069 122.915 119.914 -0.115 0.000 2.475 613 V HA -0.071 4.052 4.120 0.004 0.000 0.292 613 V C 0.517 176.584 176.094 -0.045 0.000 1.003 613 V CA 0.147 62.406 62.300 -0.068 0.000 1.120 613 V CB 0.286 32.070 31.823 -0.065 0.000 0.937 613 V HN 0.167 nan 8.190 nan 0.000 0.476 614 S N 6.654 122.356 115.700 0.003 0.000 2.562 614 S HA 0.719 5.191 4.470 0.004 0.000 0.275 614 S C -0.528 174.090 174.600 0.030 0.000 1.281 614 S CA -0.785 57.436 58.200 0.035 0.000 1.045 614 S CB 0.886 64.140 63.200 0.089 0.000 0.962 614 S HN 0.625 nan 8.310 nan 0.000 0.503 615 M N 3.736 123.342 119.600 0.011 0.000 2.007 615 M HA 0.377 4.860 4.480 0.004 0.000 0.285 615 M C -1.602 174.693 176.300 -0.008 0.000 0.893 615 M CA -0.329 54.959 55.300 -0.020 0.000 0.925 615 M CB 1.003 33.580 32.600 -0.037 0.000 1.568 615 M HN 0.537 nan 8.290 nan 0.000 0.414 616 I N 2.317 122.869 120.570 -0.030 0.000 2.297 616 I HA 0.418 4.590 4.170 0.004 0.000 0.291 616 I C 0.251 176.342 176.117 -0.045 0.000 1.033 616 I CA -0.293 60.995 61.300 -0.021 0.000 1.253 616 I CB 0.742 38.723 38.000 -0.031 0.000 1.396 616 I HN 0.598 nan 8.210 nan 0.000 0.476 617 R N 4.842 125.329 120.500 -0.022 0.000 2.312 617 R HA 0.259 4.602 4.340 0.004 0.000 0.311 617 R C -0.874 175.408 176.300 -0.030 0.000 1.004 617 R CA -0.489 55.594 56.100 -0.028 0.000 0.902 617 R CB 0.869 31.162 30.300 -0.012 0.000 1.073 617 R HN 0.627 nan 8.270 nan 0.000 0.457 618 D N 6.033 126.404 120.400 -0.048 0.000 2.392 618 D HA 0.116 4.758 4.640 0.004 0.000 0.228 618 D C 1.331 177.611 176.300 -0.034 0.000 1.074 618 D CA -0.359 53.615 54.000 -0.044 0.000 0.838 618 D CB 1.044 41.804 40.800 -0.067 0.000 1.067 618 D HN 0.533 nan 8.370 nan 0.000 0.511 619 I N 3.275 123.832 120.570 -0.023 0.000 2.286 619 I HA -0.196 3.977 4.170 0.004 0.000 0.245 619 I C 1.933 178.041 176.117 -0.015 0.000 1.104 619 I CA 0.962 62.252 61.300 -0.017 0.000 1.397 619 I CB -0.189 37.803 38.000 -0.014 0.000 1.072 619 I HN 0.334 nan 8.210 nan 0.000 0.417 620 R N 0.267 120.757 120.500 -0.016 0.000 2.300 620 R HA 0.006 4.348 4.340 0.004 0.000 0.199 620 R C 1.422 177.715 176.300 -0.012 0.000 0.920 620 R CA 0.227 56.320 56.100 -0.012 0.000 1.046 620 R CB 0.056 30.349 30.300 -0.011 0.000 0.984 620 R HN 0.126 nan 8.270 nan 0.000 0.493 621 E N 1.792 121.979 120.200 -0.022 0.000 2.498 621 E HA 0.012 4.364 4.350 0.004 0.000 0.203 621 E C -0.642 175.946 176.600 -0.020 0.000 1.013 621 E CA -0.067 56.318 56.400 -0.024 0.000 0.927 621 E CB 0.205 29.878 29.700 -0.046 0.000 1.012 621 E HN 0.175 nan 8.360 nan 0.000 0.482 622 K N 1.359 121.747 120.400 -0.020 0.000 4.075 622 K HA -0.259 4.063 4.320 0.004 0.000 0.278 622 K C -1.049 175.529 176.600 -0.037 0.000 0.862 622 K CA 0.986 57.262 56.287 -0.018 0.000 0.762 622 K CB -2.208 30.295 32.500 0.004 0.000 1.660 622 K HN 0.190 nan 8.250 nan 0.000 0.437 623 E N 0.881 121.038 120.200 -0.072 0.000 2.340 623 E HA 0.511 4.863 4.350 0.004 0.000 0.273 623 E C -1.079 175.463 176.600 -0.096 0.000 0.891 623 E CA -1.284 55.042 56.400 -0.122 0.000 0.757 623 E CB 1.825 31.365 29.700 -0.267 0.000 1.231 623 E HN 0.289 nan 8.360 nan 0.000 0.439 624 L N 1.845 123.034 121.223 -0.057 0.000 2.401 624 L HA 0.333 4.676 4.340 0.004 0.000 0.263 624 L C -1.193 175.643 176.870 -0.056 0.000 1.004 624 L CA -0.344 54.471 54.840 -0.041 0.000 0.881 624 L CB 0.617 42.690 42.059 0.023 0.000 1.219 624 L HN 0.334 nan 8.230 nan 0.000 0.441 625 K N 5.657 125.953 120.400 -0.174 0.000 2.258 625 K HA 0.495 4.817 4.320 0.004 0.000 0.284 625 K C -0.883 175.547 176.600 -0.284 0.000 1.051 625 K CA -0.345 55.772 56.287 -0.284 0.000 0.923 625 K CB 1.551 33.733 32.500 -0.529 0.000 1.046 625 K HN 0.478 nan 8.250 nan 0.000 0.474 626 I N 3.581 124.005 120.570 -0.242 0.000 2.354 626 I HA 0.301 4.473 4.170 0.004 0.000 0.292 626 I C -0.574 175.414 176.117 -0.214 0.000 0.989 626 I CA -0.425 60.771 61.300 -0.174 0.000 1.188 626 I CB 0.763 38.718 38.000 -0.075 0.000 1.342 626 I HN 0.432 nan 8.210 nan 0.000 0.457 627 F N 3.709 123.664 119.950 0.010 0.000 2.469 627 F HA 0.373 4.903 4.527 0.004 0.000 0.332 627 F C 1.041 176.827 175.800 -0.024 0.000 1.103 627 F CA -0.396 57.606 58.000 0.003 0.000 0.979 627 F CB 2.034 41.032 39.000 -0.005 0.000 1.137 627 F HN 0.314 nan 8.300 nan 0.000 0.463 628 T N 0.790 115.483 114.554 0.231 0.000 3.231 628 T HA 0.035 4.388 4.350 0.004 0.000 0.292 628 T C -0.165 174.563 174.700 0.046 0.000 1.001 628 T CA -0.226 61.925 62.100 0.085 0.000 0.920 628 T CB -0.430 68.469 68.868 0.052 0.000 1.140 628 T HN 0.431 nan 8.240 nan 0.000 0.525 629 D N 2.087 122.513 120.400 0.043 0.000 2.378 629 D HA 0.321 4.963 4.640 0.004 0.000 0.238 629 D C 0.124 176.397 176.300 -0.046 0.000 1.180 629 D CA 0.080 54.060 54.000 -0.033 0.000 0.895 629 D CB 1.032 41.739 40.800 -0.155 0.000 1.192 629 D HN 0.292 nan 8.370 nan 0.000 0.438 630 A N 0.821 123.616 122.820 -0.042 0.000 2.316 630 A HA 0.555 4.877 4.320 0.004 0.000 0.311 630 A C 0.857 178.416 177.584 -0.043 0.000 1.339 630 A CA 0.335 52.354 52.037 -0.030 0.000 0.960 630 A CB 0.239 19.233 19.000 -0.009 0.000 1.152 630 A HN 0.636 nan 8.150 nan 0.000 0.547 631 G N 2.386 111.162 108.800 -0.039 0.000 2.173 631 G HA2 -0.136 3.826 3.960 0.004 0.000 0.142 631 G HA3 -0.136 3.826 3.960 0.004 0.000 0.142 631 G C 0.106 174.954 174.900 -0.086 0.000 1.019 631 G CA -0.521 44.548 45.100 -0.051 0.000 0.699 631 G HN 0.810 nan 8.290 nan 0.000 0.495 632 R N 0.176 120.631 120.500 -0.075 0.000 2.490 632 R HA 0.534 4.877 4.340 0.004 0.000 0.280 632 R C 0.345 176.650 176.300 0.009 0.000 1.077 632 R CA -0.417 55.628 56.100 -0.092 0.000 1.065 632 R CB 1.505 31.761 30.300 -0.075 0.000 1.003 632 R HN 0.062 nan 8.270 nan 0.000 0.470 633 V N 3.908 123.802 119.914 -0.033 0.000 2.607 633 V HA 0.316 4.439 4.120 0.004 0.000 0.289 633 V C -0.383 175.815 176.094 0.172 0.000 1.053 633 V CA -0.335 62.001 62.300 0.059 0.000 0.996 633 V CB 0.382 32.266 31.823 0.101 0.000 0.995 633 V HN 0.766 nan 8.190 nan 0.000 0.476 634 Y N 3.233 123.500 120.300 -0.055 0.000 2.644 634 Y HA 0.910 5.462 4.550 0.004 0.000 0.338 634 Y C -0.319 175.507 175.900 -0.124 0.000 1.119 634 Y CA -1.500 56.558 58.100 -0.071 0.000 1.060 634 Y CB 1.529 39.928 38.460 -0.102 0.000 1.294 634 Y HN 0.650 nan 8.280 nan 0.000 0.472 635 R N -0.448 120.044 120.500 -0.013 0.000 3.288 635 R HA 0.645 4.988 4.340 0.004 0.000 0.245 635 R C -2.597 173.669 176.300 -0.056 0.000 1.436 635 R CA -1.874 54.147 56.100 -0.131 0.000 1.036 635 R CB 0.184 30.438 30.300 -0.076 0.000 1.500 635 R HN 0.381 nan 8.270 nan 0.000 0.493 636 P HA -0.082 nan 4.420 nan 0.000 0.201 636 P C -0.151 177.139 177.300 -0.017 0.000 0.995 636 P CA 0.912 63.895 63.100 -0.195 0.000 0.866 636 P CB -0.112 31.412 31.700 -0.295 0.000 0.652 637 L N -5.897 115.259 121.223 -0.111 0.000 2.359 637 L HA 0.551 4.893 4.340 0.004 0.000 0.256 637 L C -0.209 176.552 176.870 -0.182 0.000 1.026 637 L CA -1.528 53.177 54.840 -0.224 0.000 0.828 637 L CB -0.310 41.663 42.059 -0.144 0.000 1.406 637 L HN -0.141 nan 8.230 nan 0.000 0.413 638 F N 0.794 120.743 119.950 -0.002 0.000 2.539 638 F HA 0.391 4.920 4.527 0.004 0.000 0.340 638 F C 0.622 176.463 175.800 0.069 0.000 1.185 638 F CA 0.254 58.263 58.000 0.015 0.000 1.333 638 F CB 0.436 39.447 39.000 0.017 0.000 1.152 638 F HN 0.313 nan 8.300 nan 0.000 0.602 639 I N 1.361 122.116 120.570 0.308 0.000 2.603 639 I HA 0.293 4.466 4.170 0.004 0.000 0.300 639 I C -0.270 175.936 176.117 0.147 0.000 1.017 639 I CA -0.619 60.822 61.300 0.234 0.000 1.098 639 I CB 2.039 40.130 38.000 0.152 0.000 1.279 639 I HN 0.270 nan 8.210 nan 0.000 0.437 640 V N 2.973 122.949 119.914 0.102 0.000 3.070 640 V HA 0.118 4.241 4.120 0.004 0.000 0.355 640 V C 0.203 176.311 176.094 0.023 0.000 1.400 640 V CA -0.412 61.923 62.300 0.058 0.000 1.170 640 V CB 0.085 31.962 31.823 0.089 0.000 1.169 640 V HN 0.750 nan 8.190 nan 0.000 0.554 641 E N 2.415 122.619 120.200 0.006 0.000 2.812 641 E HA -0.186 4.166 4.350 0.004 0.000 0.276 641 E C 1.049 177.642 176.600 -0.011 0.000 0.946 641 E CA 0.923 57.319 56.400 -0.007 0.000 0.971 641 E CB 0.561 30.257 29.700 -0.006 0.000 0.960 641 E HN 0.630 nan 8.360 nan 0.000 0.479 642 D N 2.572 122.966 120.400 -0.010 0.000 2.392 642 D HA -0.173 4.469 4.640 0.004 0.000 0.228 642 D C -0.000 176.279 176.300 -0.035 0.000 1.003 642 D CA 0.320 54.309 54.000 -0.019 0.000 0.917 642 D CB -0.125 40.675 40.800 -0.000 0.000 0.890 642 D HN 0.376 nan 8.370 nan 0.000 0.532 643 D N 1.374 121.759 120.400 -0.027 0.000 2.907 643 D HA -0.077 4.565 4.640 0.004 0.000 0.220 643 D C -0.305 175.973 176.300 -0.036 0.000 1.098 643 D CA 0.770 54.757 54.000 -0.022 0.000 1.286 643 D CB -0.058 40.735 40.800 -0.012 0.000 1.188 643 D HN 0.310 nan 8.370 nan 0.000 0.446 644 E N -0.198 119.972 120.200 -0.050 0.000 2.165 644 E HA 0.065 4.417 4.350 0.004 0.000 0.266 644 E C 0.612 177.195 176.600 -0.029 0.000 0.889 644 E CA -0.312 56.053 56.400 -0.058 0.000 0.756 644 E CB 2.082 31.712 29.700 -0.116 0.000 1.131 644 E HN -0.066 nan 8.360 nan 0.000 0.411 645 S N 2.947 118.636 115.700 -0.019 0.000 2.353 645 S HA -0.051 4.421 4.470 0.004 0.000 0.222 645 S C 1.163 175.765 174.600 0.004 0.000 1.035 645 S CA 1.106 59.303 58.200 -0.005 0.000 1.025 645 S CB 0.158 63.355 63.200 -0.005 0.000 0.902 645 S HN 0.517 nan 8.310 nan 0.000 0.440 646 L N 0.799 122.025 121.223 0.005 0.000 3.141 646 L HA 0.467 4.809 4.340 0.004 0.000 0.263 646 L C 0.107 177.005 176.870 0.047 0.000 1.312 646 L CA -0.135 54.719 54.840 0.023 0.000 1.012 646 L CB 0.812 42.883 42.059 0.020 0.000 1.408 646 L HN 0.420 nan 8.230 nan 0.000 0.559 647 G N 0.103 108.929 108.800 0.043 0.000 2.902 647 G HA2 0.268 4.230 3.960 0.004 0.000 0.293 647 G HA3 0.268 4.230 3.960 0.004 0.000 0.293 647 G C -0.075 174.784 174.900 -0.068 0.000 3.296 647 G CA -0.301 44.875 45.100 0.126 0.000 0.614 647 G HN 0.394 nan 8.290 nan 0.000 0.354 648 H N -0.517 118.564 119.070 0.017 0.000 1.452 648 H HA -0.240 4.319 4.556 0.004 0.000 0.090 648 H C -0.384 174.962 175.328 0.030 0.000 2.831 648 H CA 1.067 57.130 56.048 0.025 0.000 1.901 648 H CB -0.447 29.335 29.762 0.032 0.000 2.257 648 H HN 0.663 nan 8.280 nan 0.000 0.961 649 K N 1.538 121.961 120.400 0.037 0.000 2.227 649 K HA 0.384 4.706 4.320 0.004 0.000 0.280 649 K C -0.356 176.178 176.600 -0.110 0.000 1.041 649 K CA -0.066 56.216 56.287 -0.009 0.000 0.905 649 K CB 0.873 33.439 32.500 0.110 0.000 1.068 649 K HN 0.533 nan 8.250 nan 0.000 0.470 650 E N 3.411 123.531 120.200 -0.134 0.000 2.390 650 E HA 0.278 4.631 4.350 0.004 0.000 0.277 650 E C -1.087 175.475 176.600 -0.063 0.000 0.939 650 E CA -0.695 55.618 56.400 -0.144 0.000 0.769 650 E CB 0.886 30.427 29.700 -0.265 0.000 1.251 650 E HN 0.430 nan 8.360 nan 0.000 0.450 651 L N 3.218 124.406 121.223 -0.059 0.000 2.492 651 L HA 0.103 4.445 4.340 0.004 0.000 0.280 651 L C 1.317 178.163 176.870 -0.040 0.000 1.240 651 L CA 0.327 55.136 54.840 -0.052 0.000 0.831 651 L CB 0.258 42.239 42.059 -0.130 0.000 1.100 651 L HN 0.717 nan 8.230 nan 0.000 0.505 652 K N 0.653 121.054 120.400 0.002 0.000 2.262 652 K HA 0.076 4.398 4.320 0.004 0.000 0.200 652 K C 0.103 176.746 176.600 0.073 0.000 1.049 652 K CA 0.180 56.486 56.287 0.032 0.000 0.979 652 K CB 0.303 32.835 32.500 0.054 0.000 0.773 652 K HN 0.399 nan 8.250 nan 0.000 0.474 653 V N 3.184 123.127 119.914 0.049 0.000 2.655 653 V HA 0.070 4.192 4.120 0.004 0.000 0.300 653 V C 0.509 176.582 176.094 -0.034 0.000 1.044 653 V CA -0.137 62.225 62.300 0.104 0.000 1.095 653 V CB 0.557 32.347 31.823 -0.054 0.000 0.952 653 V HN 0.192 nan 8.190 nan 0.000 0.485 654 R N 2.844 123.290 120.500 -0.090 0.000 3.018 654 R HA 0.468 4.810 4.340 0.004 0.000 0.243 654 R C 1.018 177.239 176.300 -0.130 0.000 1.315 654 R CA -1.033 54.965 56.100 -0.170 0.000 1.039 654 R CB 0.684 30.832 30.300 -0.253 0.000 1.315 654 R HN 0.571 nan 8.270 nan 0.000 0.492 655 K N 0.549 120.885 120.400 -0.107 0.000 2.103 655 K HA -0.048 4.274 4.320 0.004 0.000 0.204 655 K C 1.725 178.292 176.600 -0.055 0.000 1.052 655 K CA 1.575 57.833 56.287 -0.049 0.000 0.945 655 K CB -0.497 31.985 32.500 -0.032 0.000 0.722 655 K HN 0.726 nan 8.250 nan 0.000 0.443 656 G N 0.535 109.255 108.800 -0.132 0.000 2.499 656 G HA2 -0.253 3.709 3.960 0.004 0.000 0.221 656 G HA3 -0.253 3.709 3.960 0.004 0.000 0.221 656 G C 1.094 175.941 174.900 -0.088 0.000 1.109 656 G CA 0.964 45.980 45.100 -0.140 0.000 0.749 656 G HN 0.349 nan 8.290 nan 0.000 0.568 657 H N -0.324 118.723 119.070 -0.037 0.000 2.370 657 H HA 0.150 4.708 4.556 0.004 0.000 0.304 657 H C 2.609 177.988 175.328 0.085 0.000 1.055 657 H CA 0.271 56.312 56.048 -0.013 0.000 1.373 657 H CB -0.487 29.344 29.762 0.115 0.000 1.423 657 H HN 0.258 nan 8.280 nan 0.000 0.533 658 I N 1.387 122.087 120.570 0.216 0.000 2.248 658 I HA -0.247 3.925 4.170 0.004 0.000 0.248 658 I C 2.520 178.732 176.117 0.158 0.000 1.107 658 I CA 1.231 62.648 61.300 0.196 0.000 1.373 658 I CB -0.481 37.605 38.000 0.143 0.000 1.055 658 I HN 0.215 nan 8.210 nan 0.000 0.418 659 A N -0.127 122.750 122.820 0.095 0.000 1.841 659 A HA -0.240 4.083 4.320 0.004 0.000 0.214 659 A C 2.321 179.951 177.584 0.076 0.000 1.195 659 A CA 1.677 53.755 52.037 0.067 0.000 0.611 659 A CB -0.592 18.422 19.000 0.023 0.000 0.835 659 A HN 0.331 nan 8.150 nan 0.000 0.443 660 K N -0.581 119.836 120.400 0.028 0.000 2.286 660 K HA -0.071 4.251 4.320 0.004 0.000 0.203 660 K C 1.673 178.364 176.600 0.150 0.000 1.045 660 K CA 1.074 57.351 56.287 -0.017 0.000 0.935 660 K CB -0.319 31.988 32.500 -0.321 0.000 0.737 660 K HN 0.470 nan 8.250 nan 0.000 0.460 661 L N -0.131 121.250 121.223 0.264 0.000 2.270 661 L HA -0.037 4.306 4.340 0.004 0.000 0.210 661 L C 2.128 179.150 176.870 0.252 0.000 1.104 661 L CA 0.644 55.697 54.840 0.354 0.000 0.804 661 L CB 0.038 42.322 42.059 0.375 0.000 0.937 661 L HN 0.253 nan 8.230 nan 0.000 0.450 662 M N -1.566 118.154 119.600 0.201 0.000 2.435 662 M HA 0.003 4.486 4.480 0.004 0.000 0.265 662 M C 2.368 178.785 176.300 0.195 0.000 1.104 662 M CA 0.843 56.252 55.300 0.181 0.000 1.140 662 M CB -0.139 32.542 32.600 0.136 0.000 1.372 662 M HN 0.231 nan 8.290 nan 0.000 0.456 663 A N 0.302 123.229 122.820 0.178 0.000 2.009 663 A HA -0.205 4.118 4.320 0.004 0.000 0.222 663 A C 2.104 179.815 177.584 0.211 0.000 1.175 663 A CA 2.466 54.626 52.037 0.205 0.000 0.651 663 A CB -1.110 17.979 19.000 0.147 0.000 0.815 663 A HN 0.469 nan 8.150 nan 0.000 0.459 664 T N -1.288 113.383 114.554 0.196 0.000 3.009 664 T HA 0.011 4.364 4.350 0.004 0.000 0.258 664 T C 1.698 176.493 174.700 0.158 0.000 1.063 664 T CA 1.024 63.225 62.100 0.168 0.000 1.139 664 T CB 0.003 68.981 68.868 0.183 0.000 0.890 664 T HN 0.604 nan 8.240 nan 0.000 0.471 665 E N -0.211 120.102 120.200 0.188 0.000 2.371 665 E HA -0.010 4.343 4.350 0.004 0.000 0.194 665 E C 1.514 178.230 176.600 0.194 0.000 1.012 665 E CA 0.353 56.859 56.400 0.177 0.000 0.860 665 E CB 0.143 29.956 29.700 0.187 0.000 0.811 665 E HN 0.662 nan 8.360 nan 0.000 0.502 666 Y N 0.444 120.786 120.300 0.070 0.000 2.396 666 Y HA 0.125 4.677 4.550 0.004 0.000 0.292 666 Y C 1.473 177.400 175.900 0.045 0.000 1.128 666 Y CA 0.451 58.583 58.100 0.053 0.000 1.194 666 Y CB 0.285 38.775 38.460 0.050 0.000 1.124 666 Y HN -0.225 nan 8.280 nan 0.000 0.543 667 Q N 2.354 122.068 119.800 -0.144 0.000 2.945 667 Q HA 0.132 4.474 4.340 0.004 0.000 0.323 667 Q C -1.298 174.667 176.000 -0.058 0.000 1.188 667 Q CA 0.047 55.739 55.803 -0.186 0.000 0.929 667 Q CB -0.390 28.282 28.738 -0.110 0.000 1.531 667 Q HN 0.456 nan 8.270 nan 0.000 0.444 679 Y N 4.418 124.755 120.300 0.061 0.000 2.595 679 Y HA 0.368 4.920 4.550 0.004 0.000 0.347 679 Y C 0.029 175.979 175.900 0.082 0.000 1.025 679 Y CA -0.008 58.125 58.100 0.055 0.000 1.295 679 Y CB 0.556 39.051 38.460 0.059 0.000 1.147 679 Y HN 0.176 nan 8.280 nan 0.000 0.515 680 T N 1.740 116.211 114.554 -0.138 0.000 2.912 680 T HA 0.035 4.388 4.350 0.004 0.000 0.280 680 T C 1.165 175.814 174.700 -0.086 0.000 0.989 680 T CA -0.735 61.347 62.100 -0.028 0.000 0.995 680 T CB 0.683 69.566 68.868 0.025 0.000 1.077 680 T HN 0.844 nan 8.240 nan 0.000 0.531 681 W N 1.084 122.332 121.300 -0.086 0.000 2.290 681 W HA -0.298 4.364 4.660 0.004 0.000 0.328 681 W C 2.198 178.640 176.519 -0.129 0.000 1.272 681 W CA 2.289 59.592 57.345 -0.070 0.000 1.262 681 W CB -0.929 28.555 29.460 0.039 0.000 1.151 681 W HN 0.742 nan 8.180 nan 0.000 0.473 682 S N 0.601 116.253 115.700 -0.080 0.000 2.381 682 S HA -0.303 4.170 4.470 0.004 0.000 0.230 682 S C 2.054 176.444 174.600 -0.351 0.000 1.052 682 S CA 3.028 61.093 58.200 -0.224 0.000 1.068 682 S CB -0.828 62.352 63.200 -0.033 0.000 0.918 682 S HN 0.496 nan 8.310 nan 0.000 0.448 683 S N 0.654 116.150 115.700 -0.340 0.000 2.469 683 S HA 0.009 4.481 4.470 0.004 0.000 0.238 683 S C 1.694 175.973 174.600 -0.534 0.000 0.998 683 S CA 0.912 58.870 58.200 -0.402 0.000 0.957 683 S CB -0.500 62.459 63.200 -0.402 0.000 0.764 683 S HN 0.492 nan 8.310 nan 0.000 0.514 684 L N -0.356 120.483 121.223 -0.639 0.000 2.131 684 L HA 0.093 4.436 4.340 0.004 0.000 0.206 684 L C 2.473 179.010 176.870 -0.554 0.000 1.087 684 L CA 0.477 54.974 54.840 -0.571 0.000 0.767 684 L CB -0.401 41.301 42.059 -0.595 0.000 0.917 684 L HN 0.276 nan 8.230 nan 0.000 0.441 685 L N 0.437 121.238 121.223 -0.703 0.000 1.961 685 L HA -0.204 4.139 4.340 0.004 0.000 0.210 685 L C 2.363 179.015 176.870 -0.363 0.000 1.072 685 L CA 1.819 56.300 54.840 -0.599 0.000 0.749 685 L CB -1.052 40.618 42.059 -0.649 0.000 0.889 685 L HN 0.337 nan 8.230 nan 0.000 0.432 686 N N -0.071 118.454 118.700 -0.291 0.000 2.094 686 N HA -0.231 4.512 4.740 0.004 0.000 0.191 686 N C 1.595 177.011 175.510 -0.157 0.000 1.023 686 N CA 1.661 54.597 53.050 -0.188 0.000 0.857 686 N CB -0.478 37.923 38.487 -0.143 0.000 1.013 686 N HN 0.554 nan 8.380 nan 0.000 0.426 687 E N 0.164 120.260 120.200 -0.174 0.000 2.482 687 E HA 0.071 4.423 4.350 0.004 0.000 0.196 687 E C 0.335 176.866 176.600 -0.114 0.000 1.047 687 E CA 0.157 56.485 56.400 -0.120 0.000 0.869 687 E CB -0.116 29.520 29.700 -0.107 0.000 0.836 687 E HN 0.457 nan 8.360 nan 0.000 0.520 688 G N 1.569 110.275 108.800 -0.158 0.000 2.353 688 G HA2 -0.246 3.716 3.960 0.004 0.000 0.294 688 G HA3 -0.246 3.716 3.960 0.004 0.000 0.294 688 G C 0.373 175.225 174.900 -0.081 0.000 1.077 688 G CA 0.149 45.173 45.100 -0.127 0.000 1.098 688 G HN 0.260 nan 8.290 nan 0.000 0.511 689 L N -1.761 119.400 121.223 -0.102 0.000 2.817 689 L HA 0.449 4.791 4.340 0.004 0.000 0.248 689 L C 0.637 177.525 176.870 0.030 0.000 1.133 689 L CA -0.108 54.730 54.840 -0.003 0.000 0.935 689 L CB 0.693 42.770 42.059 0.029 0.000 1.266 689 L HN 0.195 nan 8.230 nan 0.000 0.535 690 V N -0.262 119.572 119.914 -0.133 0.000 2.971 690 V HA 0.444 4.566 4.120 0.004 0.000 0.309 690 V C -1.114 174.819 176.094 -0.268 0.000 1.130 690 V CA -0.586 61.590 62.300 -0.206 0.000 0.964 690 V CB 3.282 34.821 31.823 -0.473 0.000 1.029 690 V HN 0.085 nan 8.190 nan 0.000 0.427 691 E N 1.255 121.332 120.200 -0.205 0.000 2.383 691 E HA 0.491 4.844 4.350 0.004 0.000 0.275 691 E C -1.907 174.654 176.600 -0.066 0.000 0.918 691 E CA -0.691 55.600 56.400 -0.182 0.000 0.764 691 E CB 2.455 32.126 29.700 -0.049 0.000 1.252 691 E HN 0.690 nan 8.360 nan 0.000 0.449 692 Y N 3.174 123.463 120.300 -0.018 0.000 2.454 692 Y HA 0.297 4.849 4.550 0.004 0.000 0.345 692 Y C -0.086 175.826 175.900 0.021 0.000 0.970 692 Y CA -1.032 57.102 58.100 0.058 0.000 1.204 692 Y CB 0.665 39.133 38.460 0.014 0.000 1.122 692 Y HN 0.210 nan 8.280 nan 0.000 0.514 693 I N 4.463 125.172 120.570 0.233 0.000 2.354 693 I HA 0.163 4.336 4.170 0.004 0.000 0.292 693 I C -0.193 176.034 176.117 0.184 0.000 0.989 693 I CA -0.753 60.627 61.300 0.134 0.000 1.188 693 I CB 1.189 39.211 38.000 0.035 0.000 1.342 693 I HN 0.603 nan 8.210 nan 0.000 0.457 694 D N 5.049 125.545 120.400 0.159 0.000 2.326 694 D HA 0.410 5.052 4.640 0.004 0.000 0.251 694 D C 0.769 177.174 176.300 0.175 0.000 1.023 694 D CA -0.569 53.533 54.000 0.170 0.000 0.966 694 D CB 1.928 42.803 40.800 0.126 0.000 1.156 694 D HN 0.458 nan 8.370 nan 0.000 0.494 695 A N 0.868 123.808 122.820 0.201 0.000 1.865 695 A HA -0.267 4.056 4.320 0.004 0.000 0.217 695 A C 1.956 179.700 177.584 0.267 0.000 1.191 695 A CA 2.248 54.438 52.037 0.255 0.000 0.623 695 A CB -1.019 18.169 19.000 0.315 0.000 0.826 695 A HN 0.720 nan 8.150 nan 0.000 0.444 696 E N -0.138 120.199 120.200 0.228 0.000 2.086 696 E HA -0.254 4.098 4.350 0.004 0.000 0.200 696 E C 1.961 178.651 176.600 0.151 0.000 1.012 696 E CA 2.041 58.549 56.400 0.180 0.000 0.812 696 E CB -0.263 29.574 29.700 0.230 0.000 0.743 696 E HN 0.750 nan 8.360 nan 0.000 0.453 697 E N -0.341 119.950 120.200 0.151 0.000 2.158 697 E HA -0.158 4.194 4.350 0.004 0.000 0.191 697 E C 1.942 178.621 176.600 0.131 0.000 0.982 697 E CA 0.618 57.090 56.400 0.121 0.000 0.823 697 E CB -0.083 29.684 29.700 0.111 0.000 0.766 697 E HN 0.352 nan 8.360 nan 0.000 0.468 698 E N 0.628 120.917 120.200 0.149 0.000 2.171 698 E HA -0.233 4.119 4.350 0.004 0.000 0.197 698 E C 1.655 178.336 176.600 0.136 0.000 0.997 698 E CA 1.022 57.510 56.400 0.147 0.000 0.810 698 E CB 0.107 29.903 29.700 0.159 0.000 0.738 698 E HN 0.250 nan 8.360 nan 0.000 0.467 699 E N -0.239 120.044 120.200 0.138 0.000 2.331 699 E HA -0.130 4.222 4.350 0.004 0.000 0.199 699 E C 1.462 178.110 176.600 0.079 0.000 1.008 699 E CA 1.197 57.666 56.400 0.115 0.000 0.843 699 E CB 0.089 29.857 29.700 0.113 0.000 0.761 699 E HN 0.240 nan 8.360 nan 0.000 0.507 700 S N -0.089 115.660 115.700 0.082 0.000 2.663 700 S HA 0.213 4.686 4.470 0.004 0.000 0.243 700 S C 0.514 175.154 174.600 0.066 0.000 1.009 700 S CA -0.698 57.536 58.200 0.057 0.000 0.988 700 S CB -0.033 63.192 63.200 0.042 0.000 0.896 700 S HN 0.199 nan 8.310 nan 0.000 0.502 701 I N -1.361 119.272 120.570 0.105 0.000 3.074 701 I HA 0.737 4.910 4.170 0.004 0.000 0.310 701 I C -2.129 174.066 176.117 0.129 0.000 1.153 701 I CA -1.470 59.911 61.300 0.135 0.000 0.993 701 I CB 2.066 40.288 38.000 0.371 0.000 1.237 701 I HN 0.136 nan 8.210 nan 0.000 0.443 702 L N 5.268 126.572 121.223 0.135 0.000 2.342 702 L HA 0.582 4.924 4.340 0.004 0.000 0.276 702 L C -0.986 176.101 176.870 0.362 0.000 0.997 702 L CA -0.370 54.569 54.840 0.165 0.000 0.838 702 L CB 0.971 43.052 42.059 0.037 0.000 1.224 702 L HN 0.492 nan 8.230 nan 0.000 0.416 703 I N 4.793 125.550 120.570 0.312 0.000 2.331 703 I HA 0.555 4.727 4.170 0.004 0.000 0.292 703 I C 0.646 176.872 176.117 0.182 0.000 0.998 703 I CA -0.503 60.952 61.300 0.258 0.000 1.267 703 I CB 1.560 39.638 38.000 0.131 0.000 1.386 703 I HN 0.756 nan 8.210 nan 0.000 0.476 704 A N 5.367 128.049 122.820 -0.230 0.000 2.287 704 A HA 0.496 4.818 4.320 0.004 0.000 0.273 704 A C 0.488 177.912 177.584 -0.268 0.000 1.091 704 A CA -0.366 51.243 52.037 -0.713 0.000 0.817 704 A CB 1.016 19.156 19.000 -1.433 0.000 1.069 704 A HN 0.823 nan 8.150 nan 0.000 0.492 705 M N -0.311 119.154 119.600 -0.225 0.000 2.508 705 M HA 0.146 4.629 4.480 0.004 0.000 0.238 705 M C 0.600 176.824 176.300 -0.128 0.000 1.210 705 M CA 1.357 56.581 55.300 -0.126 0.000 1.231 705 M CB -0.088 32.448 32.600 -0.106 0.000 1.201 705 M HN 0.739 nan 8.290 nan 0.000 0.491 706 Q N 1.477 121.198 119.800 -0.133 0.000 2.279 706 Q HA 0.189 4.532 4.340 0.004 0.000 0.256 706 Q C -1.912 174.013 176.000 -0.125 0.000 0.937 706 Q CA -1.805 53.942 55.803 -0.093 0.000 0.933 706 Q CB 0.959 29.659 28.738 -0.063 0.000 1.189 706 Q HN 0.207 nan 8.270 nan 0.000 0.417 707 P HA -0.277 nan 4.420 nan 0.000 0.214 707 P C 0.625 177.874 177.300 -0.085 0.000 1.162 707 P CA 1.496 64.532 63.100 -0.106 0.000 0.879 707 P CB 0.228 31.872 31.700 -0.092 0.000 0.786 708 E N 0.814 120.990 120.200 -0.041 0.000 2.002 708 E HA -0.244 4.108 4.350 0.004 0.000 0.213 708 E C 1.631 178.204 176.600 -0.044 0.000 1.024 708 E CA 1.704 58.094 56.400 -0.018 0.000 0.876 708 E CB -1.511 28.202 29.700 0.021 0.000 0.799 708 E HN 0.048 nan 8.360 nan 0.000 0.497 709 D N -0.169 120.196 120.400 -0.058 0.000 2.350 709 D HA -0.015 4.627 4.640 0.004 0.000 0.216 709 D C 1.546 177.673 176.300 -0.287 0.000 0.968 709 D CA 0.645 54.580 54.000 -0.108 0.000 0.894 709 D CB 0.091 40.854 40.800 -0.062 0.000 0.909 709 D HN 0.233 nan 8.370 nan 0.000 0.520 710 L N 0.308 121.378 121.223 -0.255 0.000 2.667 710 L HA 0.163 4.505 4.340 0.004 0.000 0.232 710 L C 0.182 176.945 176.870 -0.178 0.000 1.138 710 L CA 0.314 54.960 54.840 -0.324 0.000 0.921 710 L CB 0.120 42.020 42.059 -0.266 0.000 1.180 710 L HN 0.081 nan 8.230 nan 0.000 0.487 711 E N -1.112 119.039 120.200 -0.082 0.000 3.887 711 E HA 0.218 4.571 4.350 0.004 0.000 0.210 711 E C -2.786 173.899 176.600 0.141 0.000 1.087 711 E CA -0.801 55.666 56.400 0.111 0.000 1.464 711 E CB 0.166 29.955 29.700 0.149 0.000 1.200 711 E HN 0.065 nan 8.360 nan 0.000 0.387 712 P HA 0.511 nan 4.420 nan 0.000 0.349 712 P C 0.157 177.459 177.300 0.004 0.000 1.263 712 P CA -0.322 62.809 63.100 0.052 0.000 0.783 712 P CB 0.351 32.083 31.700 0.054 0.000 1.657 713 A N -0.750 122.037 122.820 -0.054 0.000 2.267 713 A HA 0.299 4.622 4.320 0.004 0.000 0.276 713 A C 0.286 177.864 177.584 -0.011 0.000 1.336 713 A CA 0.255 52.254 52.037 -0.064 0.000 0.815 713 A CB -0.560 18.394 19.000 -0.077 0.000 1.256 713 A HN 0.468 nan 8.150 nan 0.000 0.512 714 E N -2.046 118.106 120.200 -0.080 0.000 2.312 714 E HA 0.639 4.991 4.350 0.004 0.000 0.267 714 E C -0.619 175.944 176.600 -0.061 0.000 0.894 714 E CA -0.337 55.995 56.400 -0.113 0.000 0.773 714 E CB 2.232 31.771 29.700 -0.269 0.000 1.241 714 E HN 0.850 nan 8.360 nan 0.000 0.432 723 V N 0.929 120.863 119.914 0.034 0.000 2.257 723 V HA 0.446 4.569 4.120 0.004 0.000 0.269 723 V C -0.220 175.897 176.094 0.039 0.000 1.040 723 V CA -0.889 61.435 62.300 0.039 0.000 0.813 723 V CB 0.567 32.415 31.823 0.042 0.000 1.065 723 V HN 0.304 nan 8.190 nan 0.000 0.457 724 D N 6.878 127.303 120.400 0.041 0.000 5.247 724 D HA -0.080 4.562 4.640 0.004 0.000 0.184 724 D C -1.151 175.174 176.300 0.043 0.000 1.197 724 D CA -0.305 53.720 54.000 0.041 0.000 0.747 724 D CB 1.252 42.079 40.800 0.046 0.000 1.304 724 D HN 0.431 nan 8.370 nan 0.000 0.732 725 P HA -0.073 nan 4.420 nan 0.000 0.225 725 P C 0.887 178.212 177.300 0.042 0.000 1.148 725 P CA 1.254 64.376 63.100 0.037 0.000 0.779 725 P CB 0.168 31.888 31.700 0.032 0.000 0.780 726 A N -0.212 122.634 122.820 0.044 0.000 1.968 726 A HA -0.085 4.238 4.320 0.004 0.000 0.217 726 A C 1.072 178.692 177.584 0.061 0.000 1.169 726 A CA 0.741 52.806 52.037 0.047 0.000 0.638 726 A CB -0.677 18.348 19.000 0.042 0.000 0.812 726 A HN 0.173 nan 8.150 nan 0.000 0.446 727 K N 1.878 122.317 120.400 0.065 0.000 2.368 727 K HA 0.193 4.515 4.320 0.004 0.000 0.282 727 K C 0.173 176.816 176.600 0.073 0.000 1.035 727 K CA -0.490 55.844 56.287 0.078 0.000 0.973 727 K CB 0.662 33.209 32.500 0.079 0.000 0.957 727 K HN 0.605 nan 8.250 nan 0.000 0.474 728 R N 2.154 122.702 120.500 0.080 0.000 2.862 728 R HA -0.017 4.325 4.340 0.004 0.000 0.267 728 R C -0.125 176.214 176.300 0.064 0.000 0.995 728 R CA 0.009 56.149 56.100 0.067 0.000 1.140 728 R CB 0.072 30.409 30.300 0.062 0.000 1.031 728 R HN 0.410 nan 8.270 nan 0.000 0.459 729 I N 1.524 122.127 120.570 0.056 0.000 2.315 729 I HA 0.325 4.497 4.170 0.004 0.000 0.291 729 I C 0.551 176.702 176.117 0.058 0.000 1.006 729 I CA -0.554 60.779 61.300 0.055 0.000 1.265 729 I CB 0.921 38.950 38.000 0.048 0.000 1.387 729 I HN 0.643 nan 8.210 nan 0.000 0.475 730 R N 3.634 124.170 120.500 0.060 0.000 2.598 730 R HA 0.518 4.861 4.340 0.004 0.000 0.279 730 R C 0.795 177.134 176.300 0.064 0.000 0.984 730 R CA -0.574 55.562 56.100 0.059 0.000 0.999 730 R CB 2.087 32.419 30.300 0.054 0.000 1.114 730 R HN 0.441 nan 8.270 nan 0.000 0.493 731 V N 0.714 120.668 119.914 0.066 0.000 2.244 731 V HA -0.102 4.020 4.120 0.004 0.000 0.235 731 V C 0.764 176.927 176.094 0.114 0.000 1.026 731 V CA 1.570 63.924 62.300 0.090 0.000 0.990 731 V CB -0.500 31.376 31.823 0.089 0.000 0.640 731 V HN 0.829 nan 8.190 nan 0.000 0.463 732 S N -4.050 111.717 115.700 0.112 0.000 2.625 732 S HA 0.231 4.704 4.470 0.004 0.000 0.268 732 S C 0.109 174.785 174.600 0.128 0.000 1.075 732 S CA -0.207 58.063 58.200 0.117 0.000 0.936 732 S CB -0.034 63.164 63.200 -0.003 0.000 1.190 732 S HN 0.543 nan 8.310 nan 0.000 0.474 733 H N 0.916 119.926 119.070 -0.100 0.000 2.546 733 H HA 0.213 4.771 4.556 0.004 0.000 0.277 733 H C 0.650 176.010 175.328 0.052 0.000 1.004 733 H CA 0.983 57.044 56.048 0.022 0.000 1.231 733 H CB -0.504 29.242 29.762 -0.026 0.000 1.382 733 H HN 0.339 nan 8.280 nan 0.000 0.580 734 H N 1.288 120.464 119.070 0.176 0.000 3.152 734 H HA 0.147 4.706 4.556 0.004 0.000 0.319 734 H C 0.865 176.160 175.328 -0.055 0.000 0.994 734 H CA 0.800 56.878 56.048 0.049 0.000 1.370 734 H CB -0.094 29.686 29.762 0.029 0.000 1.322 734 H HN 0.539 nan 8.280 nan 0.000 0.590 735 A N 3.040 125.901 122.820 0.068 0.000 2.416 735 A HA -0.136 4.187 4.320 0.004 0.000 0.679 735 A C 0.120 177.534 177.584 -0.284 0.000 0.152 735 A CA 0.641 52.612 52.037 -0.109 0.000 0.074 735 A CB -1.378 17.531 19.000 -0.152 0.000 3.935 735 A HN 0.711 nan 8.150 nan 0.000 0.542 736 T N 3.145 117.579 114.554 -0.199 0.000 2.788 736 T HA 0.740 5.092 4.350 0.004 0.000 0.296 736 T C 0.747 175.339 174.700 -0.179 0.000 1.009 736 T CA 0.376 62.352 62.100 -0.207 0.000 0.949 736 T CB 1.599 70.442 68.868 -0.042 0.000 0.946 736 T HN 1.355 nan 8.240 nan 0.000 0.453 737 T N 1.445 115.850 114.554 -0.249 0.000 3.408 737 T HA 0.139 4.491 4.350 0.004 0.000 0.274 737 T C 0.052 174.715 174.700 -0.061 0.000 0.839 737 T CA -0.516 61.495 62.100 -0.149 0.000 0.881 737 T CB -0.512 68.249 68.868 -0.179 0.000 1.210 737 T HN 0.620 nan 8.240 nan 0.000 0.644 738 F N 3.690 123.647 119.950 0.011 0.000 1.956 738 F HA -0.199 4.330 4.527 0.004 0.000 0.458 738 F C 2.056 177.836 175.800 -0.033 0.000 0.859 738 F CA 0.877 58.883 58.000 0.010 0.000 0.975 738 F CB 0.109 39.130 39.000 0.035 0.000 0.757 738 F HN 0.332 nan 8.300 nan 0.000 0.495 739 T N -0.015 114.587 114.554 0.080 0.000 2.770 739 T HA -0.092 4.261 4.350 0.004 0.000 0.258 739 T C 0.052 174.656 174.700 -0.160 0.000 1.039 739 T CA 1.295 63.284 62.100 -0.185 0.000 1.143 739 T CB -0.099 68.440 68.868 -0.548 0.000 0.866 739 T HN 0.592 nan 8.240 nan 0.000 0.428 740 H N -0.626 118.528 119.070 0.141 0.000 3.096 740 H HA 0.617 5.176 4.556 0.004 0.000 0.335 740 H C -0.504 174.881 175.328 0.095 0.000 0.990 740 H CA -2.144 53.972 56.048 0.113 0.000 1.393 740 H CB -0.213 29.607 29.762 0.096 0.000 1.742 740 H HN 0.417 nan 8.280 nan 0.000 0.501 741 C N 2.469 121.879 119.300 0.183 0.000 2.700 741 C HA 0.385 4.847 4.460 0.004 0.000 0.397 741 C C 0.973 176.050 174.990 0.145 0.000 1.301 741 C CA 0.030 59.077 59.018 0.048 0.000 2.219 741 C CB -0.196 27.504 27.740 -0.067 0.000 2.699 741 C HN 1.005 nan 8.230 nan 0.000 0.669 742 E N 2.035 122.284 120.200 0.081 0.000 2.374 742 E HA 0.236 4.589 4.350 0.004 0.000 0.260 742 E C 0.806 177.474 176.600 0.114 0.000 1.101 742 E CA -0.045 56.401 56.400 0.076 0.000 0.907 742 E CB 0.564 30.311 29.700 0.079 0.000 1.014 742 E HN 0.638 nan 8.360 nan 0.000 0.427 743 I N 0.985 121.511 120.570 -0.073 0.000 2.162 743 I HA -0.081 4.091 4.170 0.004 0.000 0.238 743 I C 0.416 176.561 176.117 0.047 0.000 1.076 743 I CA 1.040 62.243 61.300 -0.162 0.000 1.353 743 I CB 0.029 37.742 38.000 -0.478 0.000 1.063 743 I HN 0.565 nan 8.210 nan 0.000 0.408 744 H N -1.335 117.627 119.070 -0.179 0.000 3.155 744 H HA 0.157 4.715 4.556 0.004 0.000 0.328 744 H C -2.297 172.958 175.328 -0.121 0.000 1.059 744 H CA -0.978 54.969 56.048 -0.169 0.000 1.378 744 H CB 1.765 31.275 29.762 -0.420 0.000 1.998 744 H HN -0.256 nan 8.280 nan 0.000 0.480 745 P HA -0.226 nan 4.420 nan 0.000 0.216 745 P C 1.294 178.539 177.300 -0.092 0.000 1.154 745 P CA 2.295 65.207 63.100 -0.314 0.000 0.865 745 P CB 0.132 31.411 31.700 -0.701 0.000 0.789 746 S N -1.853 114.043 115.700 0.326 0.000 2.488 746 S HA -0.155 4.317 4.470 0.004 0.000 0.246 746 S C 1.599 176.322 174.600 0.205 0.000 0.992 746 S CA 1.108 59.603 58.200 0.491 0.000 0.963 746 S CB -1.043 62.597 63.200 0.734 0.000 0.754 746 S HN 0.026 nan 8.310 nan 0.000 0.519 747 M N 1.736 121.363 119.600 0.046 0.000 2.619 747 M HA 0.273 4.755 4.480 0.004 0.000 0.251 747 M C 1.817 178.008 176.300 -0.181 0.000 1.106 747 M CA 0.137 55.400 55.300 -0.061 0.000 1.086 747 M CB -1.357 31.165 32.600 -0.129 0.000 1.465 747 M HN 0.602 nan 8.290 nan 0.000 0.506 748 I N -2.433 117.961 120.570 -0.292 0.000 3.001 748 I HA -0.034 4.138 4.170 0.004 0.000 0.268 748 I C 0.655 176.622 176.117 -0.249 0.000 1.267 748 I CA 0.349 61.370 61.300 -0.464 0.000 1.472 748 I CB -0.291 37.232 38.000 -0.795 0.000 1.089 748 I HN -0.003 nan 8.210 nan 0.000 0.468 749 L N 1.542 122.693 121.223 -0.119 0.000 2.399 749 L HA 0.591 4.934 4.340 0.004 0.000 0.265 749 L C 0.896 177.731 176.870 -0.060 0.000 1.089 749 L CA -0.473 54.328 54.840 -0.065 0.000 0.802 749 L CB 1.212 43.270 42.059 -0.003 0.000 1.180 749 L HN 0.141 nan 8.230 nan 0.000 0.454 750 G N 0.112 108.872 108.800 -0.065 0.000 2.522 750 G HA2 0.366 4.328 3.960 0.004 0.000 0.304 750 G HA3 0.366 4.328 3.960 0.004 0.000 0.304 750 G C 0.897 175.765 174.900 -0.052 0.000 1.210 750 G CA -0.600 44.464 45.100 -0.060 0.000 0.960 750 G HN 0.417 nan 8.290 nan 0.000 0.497 751 V N 0.673 120.556 119.914 -0.051 0.000 2.363 751 V HA -0.305 3.817 4.120 0.004 0.000 0.254 751 V C 3.072 179.110 176.094 -0.094 0.000 1.074 751 V CA 3.043 65.305 62.300 -0.063 0.000 1.069 751 V CB -0.741 31.045 31.823 -0.062 0.000 0.659 751 V HN 0.830 nan 8.190 nan 0.000 0.455 752 A N -1.101 121.665 122.820 -0.091 0.000 1.903 752 A HA 0.155 4.478 4.320 0.004 0.000 0.213 752 A C 2.352 179.862 177.584 -0.123 0.000 1.185 752 A CA 1.412 53.384 52.037 -0.107 0.000 0.628 752 A CB -0.615 18.340 19.000 -0.076 0.000 0.830 752 A HN 0.575 nan 8.150 nan 0.000 0.446 753 A N 0.335 123.098 122.820 -0.094 0.000 1.972 753 A HA -0.039 4.283 4.320 0.004 0.000 0.219 753 A C 2.105 179.633 177.584 -0.093 0.000 1.169 753 A CA 1.841 53.828 52.037 -0.083 0.000 0.635 753 A CB -0.757 18.208 19.000 -0.060 0.000 0.810 753 A HN 0.611 nan 8.150 nan 0.000 0.446 754 S N -0.020 115.625 115.700 -0.092 0.000 2.660 754 S HA 0.119 4.591 4.470 0.004 0.000 0.223 754 S C 1.179 175.684 174.600 -0.159 0.000 0.963 754 S CA 0.240 58.396 58.200 -0.073 0.000 0.932 754 S CB -0.159 63.036 63.200 -0.009 0.000 0.775 754 S HN 0.424 nan 8.310 nan 0.000 0.531 755 I N 1.350 121.775 120.570 -0.241 0.000 2.703 755 I HA 0.218 4.390 4.170 0.004 0.000 0.259 755 I C 0.842 176.787 176.117 -0.287 0.000 1.151 755 I CA 0.069 61.132 61.300 -0.395 0.000 1.470 755 I CB -0.734 36.939 38.000 -0.545 0.000 1.112 755 I HN 0.289 nan 8.210 nan 0.000 0.437 756 I N 4.494 124.945 120.570 -0.199 0.000 2.533 756 I HA 0.074 4.247 4.170 0.004 0.000 0.284 756 I C -2.038 174.011 176.117 -0.113 0.000 1.109 756 I CA -1.391 59.813 61.300 -0.159 0.000 1.412 756 I CB 0.231 38.176 38.000 -0.092 0.000 1.396 756 I HN -0.078 nan 8.210 nan 0.000 0.543 757 P HA 0.153 nan 4.420 nan 0.000 0.279 757 P C -0.293 177.059 177.300 0.088 0.000 1.239 757 P CA -0.325 62.707 63.100 -0.112 0.000 0.789 757 P CB 0.419 32.095 31.700 -0.041 0.000 0.933 758 F N 1.082 121.068 119.950 0.059 0.000 2.907 758 F HA -0.168 4.361 4.527 0.004 0.000 0.244 758 F C -1.087 174.782 175.800 0.114 0.000 1.007 758 F CA -0.163 57.905 58.000 0.113 0.000 0.872 758 F CB -1.650 37.422 39.000 0.121 0.000 0.767 758 F HN 0.367 nan 8.300 nan 0.000 0.837 759 P HA -0.079 nan 4.420 nan 0.000 0.245 759 P C 0.940 178.273 177.300 0.055 0.000 1.212 759 P CA 1.335 64.500 63.100 0.109 0.000 0.774 759 P CB 0.098 31.812 31.700 0.024 0.000 0.999 760 D N -1.951 118.438 120.400 -0.019 0.000 2.339 760 D HA -0.103 4.540 4.640 0.004 0.000 0.217 760 D C 0.893 177.118 176.300 -0.124 0.000 1.050 760 D CA 0.313 54.249 54.000 -0.108 0.000 0.856 760 D CB -0.919 39.668 40.800 -0.355 0.000 0.922 760 D HN 0.277 nan 8.370 nan 0.000 0.518 761 H N 0.309 119.416 119.070 0.062 0.000 2.507 761 H HA 0.326 4.884 4.556 0.004 0.000 0.294 761 H C -0.398 174.948 175.328 0.030 0.000 1.064 761 H CA -0.183 55.885 56.048 0.032 0.000 1.138 761 H CB 0.141 29.896 29.762 -0.010 0.000 1.515 761 H HN 0.193 nan 8.280 nan 0.000 0.547 762 N N 1.336 120.112 118.700 0.127 0.000 2.296 762 N HA 0.036 4.778 4.740 0.004 0.000 0.294 762 N C -0.559 174.999 175.510 0.080 0.000 1.033 762 N CA -0.461 52.654 53.050 0.108 0.000 0.839 762 N CB 2.389 40.964 38.487 0.147 0.000 1.395 762 N HN 0.145 nan 8.380 nan 0.000 0.479 763 Q N 1.823 121.667 119.800 0.072 0.000 2.263 763 Q HA -0.009 4.333 4.340 0.004 0.000 0.289 763 Q C 0.445 176.480 176.000 0.058 0.000 1.061 763 Q CA 0.489 56.328 55.803 0.061 0.000 0.927 763 Q CB 0.721 29.496 28.738 0.061 0.000 1.154 763 Q HN 0.692 nan 8.270 nan 0.000 0.378 764 S N 5.705 121.428 115.700 0.038 0.000 2.369 764 S HA -0.150 4.322 4.470 0.004 0.000 0.225 764 S C -1.014 173.569 174.600 -0.027 0.000 1.043 764 S CA 1.827 60.035 58.200 0.013 0.000 1.074 764 S CB -0.751 62.453 63.200 0.006 0.000 0.962 764 S HN 0.740 nan 8.310 nan 0.000 0.433 765 P HA -0.166 nan 4.420 nan 0.000 0.217 765 P C 1.187 178.334 177.300 -0.255 0.000 1.148 765 P CA 1.170 64.158 63.100 -0.187 0.000 0.834 765 P CB -0.130 31.518 31.700 -0.087 0.000 0.783 766 R N 0.080 120.601 120.500 0.035 0.000 2.080 766 R HA -0.089 4.253 4.340 0.004 0.000 0.236 766 R C 2.124 178.493 176.300 0.114 0.000 1.137 766 R CA 1.041 57.268 56.100 0.211 0.000 0.943 766 R CB -1.646 28.787 30.300 0.221 0.000 0.846 766 R HN 0.326 nan 8.270 nan 0.000 0.431 767 N N 0.101 118.830 118.700 0.049 0.000 2.091 767 N HA -0.155 4.588 4.740 0.004 0.000 0.193 767 N C 1.668 177.148 175.510 -0.050 0.000 1.021 767 N CA 1.981 55.039 53.050 0.014 0.000 0.862 767 N CB -0.437 38.053 38.487 0.006 0.000 1.018 767 N HN 0.248 nan 8.380 nan 0.000 0.429 768 T N 0.827 115.291 114.554 -0.149 0.000 2.759 768 T HA -0.121 4.232 4.350 0.004 0.000 0.269 768 T C 1.676 176.266 174.700 -0.184 0.000 1.042 768 T CA 1.127 63.096 62.100 -0.217 0.000 1.140 768 T CB -0.326 68.342 68.868 -0.334 0.000 0.864 768 T HN 0.351 nan 8.240 nan 0.000 0.455 769 Y N 1.174 121.474 120.300 0.001 0.000 2.092 769 Y HA -0.145 4.408 4.550 0.004 0.000 0.282 769 Y C 2.919 178.814 175.900 -0.009 0.000 1.126 769 Y CA 0.968 59.068 58.100 -0.000 0.000 1.111 769 Y CB -0.611 37.856 38.460 0.011 0.000 0.987 769 Y HN 0.067 nan 8.280 nan 0.000 0.489 770 Q N 0.679 120.572 119.800 0.155 0.000 2.290 770 Q HA -0.204 4.139 4.340 0.004 0.000 0.211 770 Q C 1.870 177.874 176.000 0.006 0.000 0.991 770 Q CA 2.190 58.023 55.803 0.050 0.000 0.893 770 Q CB -0.516 28.221 28.738 -0.001 0.000 0.913 770 Q HN 0.331 nan 8.270 nan 0.000 0.428 771 S N -1.052 114.645 115.700 -0.004 0.000 2.425 771 S HA 0.152 4.624 4.470 0.004 0.000 0.225 771 S C 1.616 176.206 174.600 -0.017 0.000 1.024 771 S CA 0.636 58.816 58.200 -0.032 0.000 0.951 771 S CB -0.126 63.041 63.200 -0.055 0.000 0.796 771 S HN 0.596 nan 8.310 nan 0.000 0.498 772 A N 0.302 123.127 122.820 0.008 0.000 2.208 772 A HA 0.290 4.612 4.320 0.004 0.000 0.209 772 A C 1.857 179.456 177.584 0.025 0.000 1.161 772 A CA 0.454 52.501 52.037 0.017 0.000 0.782 772 A CB -0.281 18.738 19.000 0.031 0.000 0.816 772 A HN 0.411 nan 8.150 nan 0.000 0.477 773 M N -1.480 118.139 119.600 0.033 0.000 2.553 773 M HA 0.084 4.566 4.480 0.004 0.000 0.255 773 M C 2.313 178.628 176.300 0.025 0.000 1.181 773 M CA 1.030 56.349 55.300 0.032 0.000 1.210 773 M CB -0.436 32.189 32.600 0.043 0.000 1.280 773 M HN 0.469 nan 8.290 nan 0.000 0.495 774 G N 1.215 110.029 108.800 0.022 0.000 2.657 774 G HA2 -0.275 3.687 3.960 0.004 0.000 0.224 774 G HA3 -0.275 3.687 3.960 0.004 0.000 0.224 774 G C 1.428 176.366 174.900 0.063 0.000 1.086 774 G CA 1.245 46.370 45.100 0.042 0.000 0.730 774 G HN 0.433 nan 8.290 nan 0.000 0.602 775 K N -0.344 120.076 120.400 0.033 0.000 2.486 775 K HA 0.038 4.360 4.320 0.004 0.000 0.194 775 K C 1.623 178.228 176.600 0.009 0.000 1.033 775 K CA 0.680 56.985 56.287 0.031 0.000 1.004 775 K CB 0.208 32.711 32.500 0.005 0.000 0.798 775 K HN 0.452 nan 8.250 nan 0.000 0.495 776 Q N -0.399 119.395 119.800 -0.010 0.000 2.112 776 Q HA 0.258 4.600 4.340 0.004 0.000 0.222 776 Q C -0.510 175.523 176.000 0.056 0.000 0.798 776 Q CA -0.351 55.370 55.803 -0.136 0.000 1.060 776 Q CB 1.555 30.142 28.738 -0.252 0.000 1.184 776 Q HN 0.069 nan 8.270 nan 0.000 0.475 777 A N 1.448 124.364 122.820 0.159 0.000 2.539 777 A HA 0.315 4.637 4.320 0.004 0.000 0.306 777 A C 0.081 177.795 177.584 0.216 0.000 1.392 777 A CA -0.316 51.823 52.037 0.170 0.000 1.060 777 A CB -0.278 18.820 19.000 0.164 0.000 1.134 777 A HN 0.409 nan 8.150 nan 0.000 0.542 778 M N 2.351 122.067 119.600 0.194 0.000 2.209 778 M HA 0.175 4.657 4.480 0.004 0.000 0.361 778 M C 0.922 177.220 176.300 -0.004 0.000 1.211 778 M CA 2.194 57.473 55.300 -0.035 0.000 0.899 778 M CB 0.180 32.754 32.600 -0.043 0.000 1.817 778 M HN 0.895 nan 8.290 nan 0.000 0.476 779 G N 2.152 110.908 108.800 -0.074 0.000 2.348 779 G HA2 0.384 4.346 3.960 0.004 0.000 0.296 779 G HA3 0.384 4.346 3.960 0.004 0.000 0.296 779 G C -1.713 173.185 174.900 -0.002 0.000 1.258 779 G CA -0.893 44.202 45.100 -0.008 0.000 0.868 779 G HN 0.584 nan 8.290 nan 0.000 0.488 780 V N 1.918 121.832 119.914 0.000 0.000 2.389 780 V HA 0.355 4.478 4.120 0.004 0.000 0.264 780 V C 0.992 177.125 176.094 0.066 0.000 1.049 780 V CA 0.171 62.474 62.300 0.006 0.000 0.932 780 V CB -0.042 31.741 31.823 -0.065 0.000 1.011 780 V HN 0.748 nan 8.190 nan 0.000 0.475 781 F N 3.945 123.882 119.950 -0.021 0.000 2.619 781 F HA 0.630 5.159 4.527 0.004 0.000 0.293 781 F C 0.208 176.099 175.800 0.150 0.000 1.119 781 F CA -0.106 57.937 58.000 0.072 0.000 1.445 781 F CB 0.237 39.242 39.000 0.008 0.000 1.119 781 F HN 0.248 nan 8.300 nan 0.000 0.573 782 L N 0.204 120.991 121.223 -0.727 0.000 2.612 782 L HA 0.211 4.554 4.340 0.004 0.000 0.256 782 L C 0.576 177.265 176.870 -0.302 0.000 0.949 782 L CA -0.639 53.947 54.840 -0.423 0.000 0.867 782 L CB 2.229 44.039 42.059 -0.416 0.000 1.417 782 L HN -0.150 nan 8.230 nan 0.000 0.414 783 T N -1.446 113.063 114.554 -0.076 0.000 3.051 783 T HA -0.068 4.284 4.350 0.004 0.000 0.269 783 T C 0.965 175.586 174.700 -0.132 0.000 1.127 783 T CA 1.159 63.249 62.100 -0.018 0.000 1.107 783 T CB -0.543 68.409 68.868 0.140 0.000 0.898 783 T HN 0.618 nan 8.240 nan 0.000 0.517 784 N N 1.031 119.626 118.700 -0.174 0.000 2.376 784 N HA 0.029 4.771 4.740 0.004 0.000 0.249 784 N C 0.960 176.313 175.510 -0.260 0.000 1.140 784 N CA -0.722 52.208 53.050 -0.200 0.000 0.870 784 N CB -0.777 37.647 38.487 -0.106 0.000 1.124 784 N HN 0.574 nan 8.380 nan 0.000 0.505 785 Y N -1.070 119.061 120.300 -0.283 0.000 2.274 785 Y HA 0.048 4.600 4.550 0.003 0.000 0.290 785 Y C 1.920 177.657 175.900 -0.272 0.000 1.145 785 Y CA 0.750 58.684 58.100 -0.276 0.000 1.203 785 Y CB -0.926 37.388 38.460 -0.244 0.000 0.984 785 Y HN 0.012 nan 8.280 nan 0.000 0.533 786 N N 1.272 119.570 118.700 -0.668 0.000 2.036 786 N HA -0.175 4.568 4.740 0.004 0.000 0.195 786 N C 1.695 177.079 175.510 -0.209 0.000 1.037 786 N CA 2.294 55.099 53.050 -0.409 0.000 0.855 786 N CB -0.544 37.705 38.487 -0.397 0.000 1.033 786 N HN 0.325 nan 8.380 nan 0.000 0.423 787 V N 0.781 120.589 119.914 -0.177 0.000 2.379 787 V HA -0.046 4.077 4.120 0.004 0.000 0.245 787 V C 1.209 177.276 176.094 -0.044 0.000 1.044 787 V CA 0.944 63.191 62.300 -0.088 0.000 1.036 787 V CB -0.433 31.349 31.823 -0.070 0.000 0.664 787 V HN 0.258 nan 8.190 nan 0.000 0.453 788 R N 0.165 120.643 120.500 -0.038 0.000 2.811 788 R HA 0.241 4.584 4.340 0.004 0.000 0.265 788 R C -0.171 176.143 176.300 0.023 0.000 1.026 788 R CA 0.494 56.606 56.100 0.020 0.000 1.142 788 R CB 0.178 30.513 30.300 0.059 0.000 1.027 788 R HN 0.277 nan 8.270 nan 0.000 0.465 789 M N 2.514 122.143 119.600 0.047 0.000 2.106 789 M HA 0.284 4.767 4.480 0.004 0.000 0.288 789 M C -1.452 174.870 176.300 0.035 0.000 0.941 789 M CA -0.461 54.861 55.300 0.037 0.000 0.934 789 M CB 1.973 34.598 32.600 0.042 0.000 1.551 789 M HN 0.528 nan 8.290 nan 0.000 0.437 790 D N 2.019 122.424 120.400 0.009 0.000 2.671 790 D HA 0.313 4.955 4.640 0.004 0.000 0.232 790 D C -0.401 175.861 176.300 -0.063 0.000 1.114 790 D CA -0.370 53.616 54.000 -0.023 0.000 0.858 790 D CB 2.155 42.929 40.800 -0.043 0.000 1.544 790 D HN 0.432 nan 8.370 nan 0.000 0.471 791 T N 0.171 114.681 114.554 -0.073 0.000 2.961 791 T HA 0.381 4.733 4.350 0.004 0.000 0.270 791 T C 0.615 175.240 174.700 -0.125 0.000 0.926 791 T CA -0.246 61.793 62.100 -0.103 0.000 1.112 791 T CB -0.556 68.257 68.868 -0.093 0.000 0.926 791 T HN 0.472 nan 8.240 nan 0.000 0.612 792 M N 1.493 120.979 119.600 -0.191 0.000 4.047 792 M HA 0.080 4.562 4.480 0.004 0.000 0.157 792 M C -0.904 175.231 176.300 -0.276 0.000 1.532 792 M CA 0.393 55.534 55.300 -0.265 0.000 1.097 792 M CB -0.803 31.756 32.600 -0.067 0.000 1.346 792 M HN 0.940 nan 8.290 nan 0.000 0.190 793 A N 4.998 127.606 122.820 -0.354 0.000 2.480 793 A HA 0.746 5.069 4.320 0.004 0.000 0.289 793 A C -1.245 176.191 177.584 -0.246 0.000 1.044 793 A CA -0.858 50.955 52.037 -0.373 0.000 0.761 793 A CB 1.328 20.166 19.000 -0.270 0.000 1.289 793 A HN 0.737 nan 8.150 nan 0.000 0.401 794 N N 1.585 120.063 118.700 -0.370 0.000 2.362 794 N HA 0.678 5.421 4.740 0.004 0.000 0.298 794 N C -1.415 173.950 175.510 -0.241 0.000 1.048 794 N CA -0.403 52.511 53.050 -0.227 0.000 0.858 794 N CB 2.191 40.508 38.487 -0.282 0.000 1.218 794 N HN 0.464 nan 8.380 nan 0.000 0.488 795 I N 1.650 122.145 120.570 -0.124 0.000 2.545 795 I HA 0.236 4.408 4.170 0.004 0.000 0.292 795 I C -0.315 175.769 176.117 -0.055 0.000 1.040 795 I CA -0.689 60.522 61.300 -0.147 0.000 1.068 795 I CB 1.768 39.557 38.000 -0.352 0.000 1.251 795 I HN 0.306 nan 8.210 nan 0.000 0.424 796 L N 5.484 126.687 121.223 -0.032 0.000 2.499 796 L HA 0.036 4.379 4.340 0.004 0.000 0.273 796 L C 0.708 177.622 176.870 0.073 0.000 1.195 796 L CA 0.683 55.541 54.840 0.030 0.000 0.882 796 L CB -0.009 42.077 42.059 0.046 0.000 1.133 796 L HN 0.462 nan 8.230 nan 0.000 0.483 797 Y N 3.993 124.228 120.300 -0.108 0.000 2.352 797 Y HA -0.112 4.439 4.550 0.003 0.000 0.292 797 Y C 0.451 175.991 175.900 -0.600 0.000 1.136 797 Y CA 0.934 58.839 58.100 -0.326 0.000 1.227 797 Y CB -0.235 38.066 38.460 -0.265 0.000 0.991 797 Y HN 0.561 nan 8.280 nan 0.000 0.545 798 Y N -1.048 119.322 120.300 0.116 0.000 2.712 798 Y HA 0.299 4.851 4.550 0.004 0.000 0.287 798 Y C -2.264 173.619 175.900 -0.029 0.000 0.944 798 Y CA -2.714 55.398 58.100 0.020 0.000 1.122 798 Y CB 0.044 38.503 38.460 -0.003 0.000 1.182 798 Y HN -0.122 nan 8.280 nan 0.000 0.632 799 P HA -0.129 nan 4.420 nan 0.000 0.268 799 P C -0.476 176.837 177.300 0.022 0.000 1.171 799 P CA 0.875 63.986 63.100 0.019 0.000 0.761 799 P CB 0.832 32.511 31.700 -0.035 0.000 0.786 800 Q N 0.590 120.414 119.800 0.039 0.000 2.331 800 Q HA 0.236 4.578 4.340 0.004 0.000 0.272 800 Q C -0.203 175.822 176.000 0.042 0.000 1.062 800 Q CA -1.099 54.735 55.803 0.052 0.000 0.806 800 Q CB 2.365 31.150 28.738 0.078 0.000 1.312 800 Q HN 0.335 nan 8.270 nan 0.000 0.431 801 K N 2.800 123.163 120.400 -0.062 0.000 2.402 801 K HA 0.213 4.536 4.320 0.004 0.000 0.285 801 K C -2.235 174.284 176.600 -0.135 0.000 1.054 801 K CA -1.061 55.127 56.287 -0.164 0.000 1.001 801 K CB 0.108 32.519 32.500 -0.148 0.000 0.946 801 K HN 0.140 nan 8.250 nan 0.000 0.473 802 P HA -0.171 nan 4.420 nan 0.000 0.268 802 P C 0.230 177.441 177.300 -0.149 0.000 1.189 802 P CA 0.218 63.045 63.100 -0.454 0.000 0.771 802 P CB 0.609 31.724 31.700 -0.975 0.000 0.822 803 L N 0.465 121.671 121.223 -0.029 0.000 2.270 803 L HA 0.124 4.466 4.340 0.004 0.000 0.210 803 L C 1.493 178.329 176.870 -0.057 0.000 1.104 803 L CA 1.101 55.923 54.840 -0.030 0.000 0.804 803 L CB -0.422 41.639 42.059 0.002 0.000 0.937 803 L HN 0.483 nan 8.230 nan 0.000 0.450 804 G N -0.212 108.549 108.800 -0.065 0.000 2.437 804 G HA2 0.483 4.445 3.960 0.004 0.000 0.315 804 G HA3 0.483 4.445 3.960 0.004 0.000 0.315 804 G C -0.558 174.240 174.900 -0.169 0.000 1.210 804 G CA -0.155 44.886 45.100 -0.098 0.000 0.943 804 G HN 0.017 nan 8.290 nan 0.000 0.471 805 T N -0.681 113.756 114.554 -0.195 0.000 2.885 805 T HA 0.640 4.992 4.350 0.004 0.000 0.285 805 T C 0.313 174.864 174.700 -0.248 0.000 1.019 805 T CA -0.626 61.352 62.100 -0.203 0.000 1.010 805 T CB 1.795 70.558 68.868 -0.175 0.000 1.022 805 T HN 0.260 nan 8.240 nan 0.000 0.466 806 T N 2.696 117.114 114.554 -0.226 0.000 2.918 806 T HA 0.218 4.571 4.350 0.004 0.000 0.302 806 T C 1.483 176.037 174.700 -0.242 0.000 1.045 806 T CA -0.765 61.206 62.100 -0.216 0.000 1.114 806 T CB 0.766 69.543 68.868 -0.151 0.000 0.965 806 T HN 0.487 nan 8.240 nan 0.000 0.540 807 R N 1.554 121.846 120.500 -0.348 0.000 2.241 807 R HA -0.017 4.325 4.340 0.004 0.000 0.224 807 R C 1.783 177.889 176.300 -0.324 0.000 1.101 807 R CA 0.715 56.451 56.100 -0.606 0.000 0.995 807 R CB -0.771 28.662 30.300 -1.444 0.000 0.870 807 R HN 0.718 nan 8.270 nan 0.000 0.463 808 A N -0.861 121.948 122.820 -0.017 0.000 2.308 808 A HA 0.131 4.453 4.320 0.004 0.000 0.217 808 A C 1.823 179.459 177.584 0.087 0.000 1.216 808 A CA -0.161 52.039 52.037 0.272 0.000 0.864 808 A CB -0.062 19.126 19.000 0.313 0.000 0.902 808 A HN 0.150 nan 8.150 nan 0.000 0.499 809 M N -0.736 118.831 119.600 -0.054 0.000 2.319 809 M HA -0.112 4.370 4.480 0.004 0.000 0.265 809 M C 2.000 178.251 176.300 -0.081 0.000 1.068 809 M CA 1.649 56.928 55.300 -0.037 0.000 1.118 809 M CB -0.102 32.496 32.600 -0.003 0.000 1.395 809 M HN 0.609 nan 8.290 nan 0.000 0.435 810 E N 0.655 120.708 120.200 -0.245 0.000 2.086 810 E HA -0.234 4.118 4.350 0.004 0.000 0.200 810 E C 1.324 177.663 176.600 -0.435 0.000 1.012 810 E CA 2.137 58.286 56.400 -0.418 0.000 0.812 810 E CB -0.315 28.974 29.700 -0.685 0.000 0.743 810 E HN 0.639 nan 8.360 nan 0.000 0.453 811 Y N -0.535 119.698 120.300 -0.112 0.000 2.490 811 Y HA 0.164 4.717 4.550 0.004 0.000 0.285 811 Y C 1.890 177.682 175.900 -0.180 0.000 1.117 811 Y CA 0.146 58.107 58.100 -0.232 0.000 1.262 811 Y CB 0.116 38.221 38.460 -0.591 0.000 1.043 811 Y HN 0.061 nan 8.280 nan 0.000 0.553 812 L N 0.461 121.700 121.223 0.027 0.000 2.599 812 L HA -0.046 4.297 4.340 0.004 0.000 0.230 812 L C 0.524 177.519 176.870 0.208 0.000 1.141 812 L CA 0.864 55.758 54.840 0.089 0.000 0.877 812 L CB -0.224 41.866 42.059 0.051 0.000 1.009 812 L HN 0.259 nan 8.230 nan 0.000 0.447 813 K N -1.806 118.651 120.400 0.095 0.000 3.193 813 K HA -0.280 4.042 4.320 0.004 0.000 0.294 813 K C 0.955 177.499 176.600 -0.093 0.000 1.185 813 K CA 0.745 57.017 56.287 -0.025 0.000 0.866 813 K CB -2.228 30.216 32.500 -0.093 0.000 1.227 813 K HN 0.218 nan 8.250 nan 0.000 0.467 814 F N 1.978 121.855 119.950 -0.121 0.000 2.084 814 F HA -0.117 4.413 4.527 0.004 0.000 0.296 814 F C 2.158 177.860 175.800 -0.163 0.000 1.111 814 F CA 1.532 59.461 58.000 -0.119 0.000 1.224 814 F CB 0.028 38.973 39.000 -0.092 0.000 0.991 814 F HN 0.047 nan 8.300 nan 0.000 0.471 815 R N 0.255 120.659 120.500 -0.160 0.000 2.185 815 R HA -0.207 4.135 4.340 0.004 0.000 0.247 815 R C 1.660 177.803 176.300 -0.261 0.000 1.159 815 R CA 1.788 57.748 56.100 -0.232 0.000 0.988 815 R CB -0.888 29.324 30.300 -0.147 0.000 0.871 815 R HN 0.387 nan 8.270 nan 0.000 0.458 816 E N -0.229 119.803 120.200 -0.280 0.000 2.251 816 E HA 0.105 4.457 4.350 0.004 0.000 0.194 816 E C -0.048 176.291 176.600 -0.434 0.000 0.964 816 E CA 0.387 56.606 56.400 -0.302 0.000 0.868 816 E CB 0.418 29.940 29.700 -0.296 0.000 0.828 816 E HN -0.016 nan 8.360 nan 0.000 0.481 817 L N 1.224 122.136 121.223 -0.519 0.000 2.551 817 L HA 0.353 4.696 4.340 0.004 0.000 0.248 817 L C -2.617 174.003 176.870 -0.417 0.000 1.509 817 L CA -1.557 52.983 54.840 -0.499 0.000 0.842 817 L CB 1.163 42.777 42.059 -0.742 0.000 1.087 817 L HN -0.099 nan 8.230 nan 0.000 0.512 818 P HA 0.570 nan 4.420 nan 0.000 0.281 818 P C -1.013 176.138 177.300 -0.249 0.000 1.264 818 P CA -0.645 61.987 63.100 -0.780 0.000 0.824 818 P CB 1.561 32.810 31.700 -0.751 0.000 1.092 819 A N 0.996 123.797 122.820 -0.032 0.000 2.522 819 A HA 0.752 5.074 4.320 0.004 0.000 0.285 819 A C -0.220 177.534 177.584 0.284 0.000 1.198 819 A CA -0.062 52.074 52.037 0.166 0.000 0.742 819 A CB -0.001 19.131 19.000 0.219 0.000 1.176 819 A HN 0.800 nan 8.150 nan 0.000 0.444 820 G N 0.651 109.551 108.800 0.168 0.000 2.316 820 G HA2 0.396 4.358 3.960 0.004 0.000 0.468 820 G HA3 0.396 4.358 3.960 0.004 0.000 0.468 820 G C -1.394 173.339 174.900 -0.279 0.000 1.523 820 G CA -0.850 44.190 45.100 -0.099 0.000 0.972 820 G HN 0.818 nan 8.290 nan 0.000 0.667 821 Q N -0.272 119.326 119.800 -0.337 0.000 2.365 821 Q HA 0.492 4.834 4.340 0.004 0.000 0.269 821 Q C -0.061 175.799 176.000 -0.232 0.000 1.061 821 Q CA -0.957 54.657 55.803 -0.316 0.000 0.816 821 Q CB 1.471 29.783 28.738 -0.710 0.000 1.325 821 Q HN 0.428 nan 8.270 nan 0.000 0.446 822 N N 1.692 120.365 118.700 -0.045 0.000 3.178 822 N HA 0.187 4.929 4.740 0.004 0.000 0.300 822 N C -1.286 174.211 175.510 -0.022 0.000 1.242 822 N CA 0.092 53.180 53.050 0.063 0.000 1.192 822 N CB 0.094 38.646 38.487 0.108 0.000 1.463 822 N HN 0.566 nan 8.380 nan 0.000 0.539 823 A N 1.779 124.589 122.820 -0.017 0.000 2.371 823 A HA 0.310 4.633 4.320 0.004 0.000 0.257 823 A C 0.522 178.043 177.584 -0.105 0.000 1.089 823 A CA -0.459 51.540 52.037 -0.062 0.000 0.794 823 A CB 0.490 19.497 19.000 0.011 0.000 1.029 823 A HN 0.362 nan 8.150 nan 0.000 0.488 824 I N 2.950 123.420 120.570 -0.167 0.000 2.494 824 I HA 0.079 4.251 4.170 0.004 0.000 0.289 824 I C 0.040 175.991 176.117 -0.277 0.000 1.106 824 I CA 0.332 61.451 61.300 -0.300 0.000 1.369 824 I CB 0.059 37.839 38.000 -0.368 0.000 1.410 824 I HN 0.204 nan 8.210 nan 0.000 0.523 825 V N 6.934 126.681 119.914 -0.279 0.000 2.370 825 V HA 0.529 4.652 4.120 0.004 0.000 0.279 825 V C 0.539 176.601 176.094 -0.053 0.000 1.029 825 V CA -0.615 61.600 62.300 -0.141 0.000 0.870 825 V CB 1.595 33.397 31.823 -0.035 0.000 0.984 825 V HN 0.851 nan 8.190 nan 0.000 0.451 826 A N 7.265 130.166 122.820 0.135 0.000 2.274 826 A HA 0.718 5.040 4.320 0.004 0.000 0.309 826 A C -0.321 177.362 177.584 0.165 0.000 1.226 826 A CA -0.471 51.751 52.037 0.307 0.000 0.853 826 A CB 0.268 19.453 19.000 0.308 0.000 1.146 826 A HN 0.776 nan 8.150 nan 0.000 0.518 827 I N 2.660 123.349 120.570 0.198 0.000 2.291 827 I HA 0.513 4.685 4.170 0.004 0.000 0.290 827 I C 0.461 176.651 176.117 0.123 0.000 1.050 827 I CA 0.261 61.656 61.300 0.159 0.000 1.245 827 I CB 0.646 38.764 38.000 0.197 0.000 1.405 827 I HN 0.734 nan 8.210 nan 0.000 0.478 828 A N 5.234 128.109 122.820 0.092 0.000 2.608 828 A HA 0.555 4.877 4.320 0.004 0.000 0.292 828 A C -1.197 176.451 177.584 0.107 0.000 1.066 828 A CA -0.497 51.595 52.037 0.092 0.000 0.676 828 A CB 1.249 20.308 19.000 0.098 0.000 1.277 828 A HN 0.631 nan 8.150 nan 0.000 0.413 829 C N 1.751 121.115 119.300 0.107 0.000 2.373 829 C HA 0.550 5.012 4.460 0.004 0.000 0.354 829 C C 0.630 175.760 174.990 0.233 0.000 1.249 829 C CA 0.075 59.175 59.018 0.137 0.000 1.784 829 C CB -1.432 26.363 27.740 0.092 0.000 2.408 829 C HN 0.804 nan 8.230 nan 0.000 0.542 830 Y N 2.398 122.751 120.300 0.089 0.000 2.812 830 Y HA 0.163 4.715 4.550 0.004 0.000 0.212 830 Y C 2.325 178.305 175.900 0.132 0.000 0.996 830 Y CA 0.901 59.066 58.100 0.109 0.000 1.504 830 Y CB -0.482 38.083 38.460 0.175 0.000 1.086 830 Y HN 0.568 nan 8.280 nan 0.000 0.537 831 S N -0.169 115.685 115.700 0.256 0.000 2.507 831 S HA 0.132 4.605 4.470 0.004 0.000 0.235 831 S C 1.457 176.136 174.600 0.131 0.000 0.988 831 S CA 0.741 59.048 58.200 0.178 0.000 0.944 831 S CB -0.600 62.883 63.200 0.472 0.000 0.762 831 S HN 1.206 nan 8.310 nan 0.000 0.526 832 G N 0.124 109.017 108.800 0.155 0.000 2.136 832 G HA2 -0.304 3.658 3.960 0.004 0.000 0.242 832 G HA3 -0.304 3.658 3.960 0.004 0.000 0.242 832 G C 0.203 175.075 174.900 -0.045 0.000 0.989 832 G CA 0.269 45.393 45.100 0.040 0.000 0.682 832 G HN 0.586 nan 8.290 nan 0.000 0.522 833 Y N 0.768 121.138 120.300 0.116 0.000 2.529 833 Y HA 0.125 4.678 4.550 0.005 0.000 0.290 833 Y C 1.934 177.850 175.900 0.027 0.000 1.177 833 Y CA 0.959 59.096 58.100 0.063 0.000 1.305 833 Y CB 0.397 38.888 38.460 0.051 0.000 1.047 833 Y HN 0.483 nan 8.280 nan 0.000 0.522 834 N N -0.344 118.450 118.700 0.158 0.000 2.458 834 N HA 0.065 4.807 4.740 0.004 0.000 0.274 834 N C -0.558 175.003 175.510 0.086 0.000 1.242 834 N CA -0.109 53.003 53.050 0.103 0.000 0.904 834 N CB -0.114 38.434 38.487 0.101 0.000 1.206 834 N HN 0.277 nan 8.380 nan 0.000 0.510 835 Q N 0.283 120.123 119.800 0.066 0.000 2.215 835 Q HA 0.280 4.622 4.340 0.004 0.000 0.256 835 Q C -0.388 175.634 176.000 0.037 0.000 0.972 835 Q CA -0.603 55.234 55.803 0.057 0.000 0.889 835 Q CB 1.022 29.774 28.738 0.022 0.000 1.281 835 Q HN 0.195 nan 8.270 nan 0.000 0.456 836 E N 2.096 122.313 120.200 0.029 0.000 2.320 836 E HA -0.242 4.110 4.350 0.004 0.000 0.234 836 E C -1.231 175.380 176.600 0.017 0.000 1.183 836 E CA 0.807 57.212 56.400 0.009 0.000 0.713 836 E CB -1.404 28.289 29.700 -0.010 0.000 1.226 836 E HN 0.779 nan 8.360 nan 0.000 0.382 837 D N -0.590 119.831 120.400 0.034 0.000 3.278 837 D HA -0.157 4.485 4.640 0.004 0.000 0.233 837 D C -0.244 176.080 176.300 0.039 0.000 1.149 837 D CA 1.658 55.681 54.000 0.037 0.000 0.957 837 D CB -1.132 39.678 40.800 0.017 0.000 0.913 837 D HN 0.497 nan 8.370 nan 0.000 0.409 838 S N -0.599 115.129 115.700 0.047 0.000 2.596 838 S HA 0.839 5.311 4.470 0.004 0.000 0.270 838 S C -0.308 174.311 174.600 0.032 0.000 1.155 838 S CA -1.058 57.166 58.200 0.040 0.000 0.827 838 S CB 3.116 66.341 63.200 0.041 0.000 1.130 838 S HN 0.384 nan 8.310 nan 0.000 0.467 839 M N 0.536 120.131 119.600 -0.008 0.000 2.618 839 M HA 0.665 5.147 4.480 0.004 0.000 0.281 839 M C -1.829 174.406 176.300 -0.109 0.000 1.267 839 M CA -0.937 54.333 55.300 -0.049 0.000 0.845 839 M CB 1.626 34.173 32.600 -0.089 0.000 1.732 839 M HN 0.620 nan 8.290 nan 0.000 0.461 840 I N 1.930 122.426 120.570 -0.124 0.000 2.354 840 I HA 0.474 4.647 4.170 0.004 0.000 0.292 840 I C -0.817 175.171 176.117 -0.216 0.000 0.989 840 I CA -0.481 60.696 61.300 -0.204 0.000 1.188 840 I CB 1.979 39.882 38.000 -0.162 0.000 1.342 840 I HN 0.715 nan 8.210 nan 0.000 0.457 841 M N 5.997 125.449 119.600 -0.247 0.000 2.268 841 M HA 0.323 4.805 4.480 0.004 0.000 0.344 841 M C -0.127 176.100 176.300 -0.120 0.000 1.106 841 M CA -0.752 54.428 55.300 -0.200 0.000 1.010 841 M CB 1.239 33.694 32.600 -0.241 0.000 1.649 841 M HN 0.431 nan 8.290 nan 0.000 0.443 842 N N 3.401 122.064 118.700 -0.062 0.000 2.394 842 N HA -0.089 4.653 4.740 0.004 0.000 0.288 842 N C 0.557 176.065 175.510 -0.004 0.000 1.272 842 N CA 0.521 53.568 53.050 -0.004 0.000 1.004 842 N CB 0.567 39.060 38.487 0.011 0.000 1.393 842 N HN 0.728 nan 8.380 nan 0.000 0.488 843 Q N 2.597 122.400 119.800 0.004 0.000 2.077 843 Q HA -0.177 4.166 4.340 0.004 0.000 0.206 843 Q C 1.475 177.483 176.000 0.014 0.000 0.989 843 Q CA 2.095 57.901 55.803 0.006 0.000 0.853 843 Q CB -0.401 28.346 28.738 0.015 0.000 0.907 843 Q HN 0.610 nan 8.270 nan 0.000 0.418 844 S N -0.149 115.564 115.700 0.023 0.000 2.369 844 S HA -0.270 4.203 4.470 0.004 0.000 0.225 844 S C 1.970 176.572 174.600 0.004 0.000 1.043 844 S CA 1.887 60.096 58.200 0.014 0.000 1.074 844 S CB -0.804 62.405 63.200 0.015 0.000 0.962 844 S HN 0.770 nan 8.310 nan 0.000 0.433 845 S N 1.615 117.315 115.700 -0.000 0.000 2.359 845 S HA -0.121 4.351 4.470 0.004 0.000 0.224 845 S C 1.815 176.410 174.600 -0.009 0.000 1.035 845 S CA 1.494 59.685 58.200 -0.015 0.000 1.018 845 S CB -0.945 62.241 63.200 -0.024 0.000 0.876 845 S HN 0.511 nan 8.310 nan 0.000 0.448 846 I N 2.675 123.250 120.570 0.008 0.000 2.185 846 I HA -0.251 3.921 4.170 0.004 0.000 0.246 846 I C 2.029 178.167 176.117 0.034 0.000 1.088 846 I CA 1.928 63.246 61.300 0.030 0.000 1.347 846 I CB -0.546 37.472 38.000 0.030 0.000 1.041 846 I HN 0.345 nan 8.210 nan 0.000 0.415 847 D N 0.425 120.840 120.400 0.024 0.000 2.194 847 D HA -0.089 4.553 4.640 0.004 0.000 0.204 847 D C 2.171 178.491 176.300 0.034 0.000 0.964 847 D CA 0.808 54.827 54.000 0.031 0.000 0.846 847 D CB -0.341 40.471 40.800 0.021 0.000 0.962 847 D HN 0.353 nan 8.370 nan 0.000 0.490 848 R N 0.037 120.542 120.500 0.010 0.000 2.293 848 R HA 0.055 4.398 4.340 0.004 0.000 0.219 848 R C 1.138 177.435 176.300 -0.005 0.000 1.091 848 R CA 0.943 57.035 56.100 -0.012 0.000 1.004 848 R CB 0.080 30.352 30.300 -0.047 0.000 0.865 848 R HN 0.258 nan 8.270 nan 0.000 0.469 849 G N 0.434 109.259 108.800 0.041 0.000 2.155 849 G HA2 -0.177 3.786 3.960 0.004 0.000 0.130 849 G HA3 -0.177 3.786 3.960 0.004 0.000 0.130 849 G C -0.289 174.675 174.900 0.105 0.000 1.027 849 G CA -0.688 44.496 45.100 0.141 0.000 0.705 849 G HN 0.137 nan 8.290 nan 0.000 0.496 850 L N 0.787 122.018 121.223 0.012 0.000 2.490 850 L HA 0.638 4.980 4.340 0.004 0.000 0.274 850 L C 1.276 178.192 176.870 0.077 0.000 1.201 850 L CA 0.582 55.390 54.840 -0.053 0.000 0.869 850 L CB -0.391 41.630 42.059 -0.062 0.000 1.123 850 L HN 0.481 nan 8.230 nan 0.000 0.484 851 F N 2.582 122.591 119.950 0.099 0.000 3.056 851 F HA -0.309 4.220 4.527 0.003 0.000 0.266 851 F C 0.909 176.727 175.800 0.031 0.000 0.957 851 F CA 0.571 58.639 58.000 0.114 0.000 0.894 851 F CB -1.002 38.159 39.000 0.267 0.000 0.832 851 F HN 0.559 nan 8.300 nan 0.000 0.745 852 R N 0.532 121.068 120.500 0.060 0.000 2.490 852 R HA 0.563 4.906 4.340 0.004 0.000 0.278 852 R C 0.446 176.518 176.300 -0.380 0.000 1.069 852 R CA 0.322 56.274 56.100 -0.248 0.000 1.080 852 R CB 1.430 31.438 30.300 -0.487 0.000 1.030 852 R HN 0.259 nan 8.270 nan 0.000 0.491 853 S N 1.983 117.422 115.700 -0.436 0.000 2.599 853 S HA 0.524 4.997 4.470 0.004 0.000 0.287 853 S C -0.664 173.792 174.600 -0.239 0.000 1.105 853 S CA -0.999 57.044 58.200 -0.263 0.000 0.899 853 S CB 1.294 64.437 63.200 -0.096 0.000 1.100 853 S HN 0.352 nan 8.310 nan 0.000 0.482 854 L N 1.881 123.090 121.223 -0.023 0.000 2.325 854 L HA 0.655 4.997 4.340 0.004 0.000 0.279 854 L C -0.879 176.006 176.870 0.026 0.000 1.054 854 L CA -0.622 54.221 54.840 0.005 0.000 0.804 854 L CB 1.201 43.340 42.059 0.134 0.000 1.200 854 L HN 0.777 nan 8.230 nan 0.000 0.436 855 F N 3.062 122.863 119.950 -0.248 0.000 2.536 855 F HA 0.572 5.101 4.527 0.003 0.000 0.322 855 F C -1.422 174.235 175.800 -0.239 0.000 1.144 855 F CA -0.637 57.278 58.000 -0.141 0.000 0.924 855 F CB 1.025 39.966 39.000 -0.099 0.000 1.181 855 F HN 0.106 nan 8.300 nan 0.000 0.438 856 F N 5.977 125.535 119.950 -0.654 0.000 2.449 856 F HA 0.578 5.109 4.527 0.005 0.000 0.342 856 F C -0.070 175.315 175.800 -0.693 0.000 1.127 856 F CA -0.686 57.041 58.000 -0.455 0.000 0.975 856 F CB 1.786 40.666 39.000 -0.200 0.000 1.146 856 F HN 0.462 nan 8.300 nan 0.000 0.444 857 R N 1.075 121.425 120.500 -0.250 0.000 2.778 857 R HA 0.799 5.141 4.340 0.004 0.000 0.277 857 R C -1.287 175.064 176.300 0.085 0.000 0.977 857 R CA -0.529 55.488 56.100 -0.138 0.000 0.950 857 R CB 1.634 31.984 30.300 0.083 0.000 1.165 857 R HN 0.644 nan 8.270 nan 0.000 0.474 858 S N 2.408 118.106 115.700 -0.004 0.000 2.659 858 S HA 0.402 4.875 4.470 0.004 0.000 0.312 858 S C -1.526 173.073 174.600 -0.002 0.000 1.114 858 S CA -0.628 57.621 58.200 0.081 0.000 1.063 858 S CB 0.681 63.893 63.200 0.021 0.000 0.996 858 S HN 0.393 nan 8.310 nan 0.000 0.478 859 Y N 2.296 122.577 120.300 -0.032 0.000 2.352 859 Y HA 0.703 5.257 4.550 0.007 0.000 0.326 859 Y C 0.394 176.249 175.900 -0.075 0.000 1.166 859 Y CA -1.164 56.912 58.100 -0.040 0.000 1.182 859 Y CB 0.892 39.331 38.460 -0.036 0.000 1.216 859 Y HN 0.439 nan 8.280 nan 0.000 0.474 860 M N 2.477 122.106 119.600 0.048 0.000 2.520 860 M HA 0.408 4.890 4.480 0.004 0.000 0.283 860 M C -2.159 174.125 176.300 -0.027 0.000 1.237 860 M CA -0.240 55.023 55.300 -0.062 0.000 0.885 860 M CB 2.709 35.263 32.600 -0.077 0.000 1.727 860 M HN 0.854 nan 8.290 nan 0.000 0.468 861 D N 1.034 121.381 120.400 -0.087 0.000 2.692 861 D HA 0.549 5.192 4.640 0.004 0.000 0.303 861 D C -1.797 174.612 176.300 0.182 0.000 1.278 861 D CA 0.035 54.098 54.000 0.104 0.000 0.852 861 D CB 2.227 43.188 40.800 0.268 0.000 1.375 861 D HN 0.691 nan 8.370 nan 0.000 0.453 862 Q N -0.284 119.673 119.800 0.262 0.000 2.685 862 Q HA 0.378 4.721 4.340 0.004 0.000 0.301 862 Q C -1.466 174.523 176.000 -0.018 0.000 0.924 862 Q CA -0.638 55.304 55.803 0.231 0.000 0.755 862 Q CB 2.471 31.359 28.738 0.250 0.000 1.470 862 Q HN 0.229 nan 8.270 nan 0.000 0.434 863 E N 2.085 122.249 120.200 -0.060 0.000 2.220 863 E HA 0.300 4.653 4.350 0.004 0.000 0.256 863 E C -1.130 175.429 176.600 -0.068 0.000 0.881 863 E CA -0.437 55.859 56.400 -0.175 0.000 0.766 863 E CB 1.822 31.360 29.700 -0.270 0.000 1.187 863 E HN 0.648 nan 8.360 nan 0.000 0.419 864 K N 2.335 122.704 120.400 -0.052 0.000 1.335 864 K HA -0.274 4.049 4.320 0.004 0.000 0.798 864 K C -0.713 175.902 176.600 0.025 0.000 2.063 864 K CA 0.746 57.024 56.287 -0.016 0.000 1.278 864 K CB -0.636 31.846 32.500 -0.030 0.000 2.393 864 K HN 0.535 nan 8.250 nan 0.000 0.323 865 K N -1.901 118.527 120.400 0.046 0.000 2.849 865 K HA 0.171 4.494 4.320 0.004 0.000 0.277 865 K C -0.880 175.813 176.600 0.156 0.000 2.406 865 K CA -0.222 56.129 56.287 0.107 0.000 1.295 865 K CB 0.523 33.094 32.500 0.119 0.000 2.726 865 K HN 0.379 nan 8.250 nan 0.000 0.388 866 Y N 0.279 120.583 120.300 0.007 0.000 2.334 866 Y HA 0.540 5.092 4.550 0.004 0.000 0.336 866 Y C -0.403 175.500 175.900 0.005 0.000 0.960 866 Y CA 0.276 58.380 58.100 0.007 0.000 1.164 866 Y CB 2.134 40.600 38.460 0.009 0.000 1.155 866 Y HN 0.560 nan 8.280 nan 0.000 0.478 867 G N 4.081 112.868 108.800 -0.022 0.000 1.875 867 G HA2 0.085 4.048 3.960 0.004 0.000 0.218 867 G HA3 0.085 4.048 3.960 0.004 0.000 0.218 867 G C -0.781 174.079 174.900 -0.067 0.000 1.648 867 G CA -1.013 44.080 45.100 -0.012 0.000 0.941 867 G HN 0.502 nan 8.290 nan 0.000 0.689 868 M N 2.444 122.002 119.600 -0.070 0.000 2.888 868 M HA 0.283 4.765 4.480 0.004 0.000 0.216 868 M C 1.476 177.753 176.300 -0.039 0.000 1.291 868 M CA 0.809 56.067 55.300 -0.070 0.000 1.105 868 M CB 0.096 32.654 32.600 -0.070 0.000 1.581 868 M HN 0.847 nan 8.290 nan 0.000 0.439 869 S N -2.584 113.098 115.700 -0.030 0.000 2.184 869 S HA 0.224 4.696 4.470 0.004 0.000 0.253 869 S C 0.054 174.646 174.600 -0.014 0.000 0.950 869 S CA -0.595 57.595 58.200 -0.017 0.000 1.541 869 S CB -0.031 63.164 63.200 -0.008 0.000 1.172 869 S HN 0.236 nan 8.310 nan 0.000 0.577 870 I N 3.308 123.870 120.570 -0.014 0.000 2.307 870 I HA 0.594 4.766 4.170 0.004 0.000 0.289 870 I C -0.688 175.417 176.117 -0.021 0.000 1.021 870 I CA 0.395 61.690 61.300 -0.009 0.000 1.224 870 I CB 1.332 39.337 38.000 0.008 0.000 1.376 870 I HN 0.111 nan 8.210 nan 0.000 0.470 871 T N 4.446 118.984 114.554 -0.027 0.000 3.143 871 T HA 0.287 4.639 4.350 0.004 0.000 0.312 871 T C -0.425 174.240 174.700 -0.058 0.000 0.986 871 T CA -0.868 61.204 62.100 -0.045 0.000 1.024 871 T CB 0.918 69.757 68.868 -0.048 0.000 1.030 871 T HN 0.423 nan 8.240 nan 0.000 0.448 872 E N 2.161 122.312 120.200 -0.082 0.000 2.392 872 E HA 0.379 4.732 4.350 0.004 0.000 0.264 872 E C -0.013 176.474 176.600 -0.189 0.000 1.024 872 E CA -0.069 56.259 56.400 -0.120 0.000 0.903 872 E CB 0.573 30.186 29.700 -0.146 0.000 0.963 872 E HN 0.505 nan 8.360 nan 0.000 0.432 873 T N 1.852 116.314 114.554 -0.154 0.000 2.908 873 T HA 0.412 4.764 4.350 0.004 0.000 0.290 873 T C -0.475 174.179 174.700 -0.078 0.000 1.034 873 T CA -0.702 61.319 62.100 -0.130 0.000 1.010 873 T CB 0.680 69.530 68.868 -0.030 0.000 1.068 873 T HN 0.254 nan 8.240 nan 0.000 0.481 874 F N 2.401 122.372 119.950 0.035 0.000 2.385 874 F HA 0.470 4.999 4.527 0.005 0.000 0.360 874 F C 1.012 176.832 175.800 0.032 0.000 1.122 874 F CA -0.584 57.438 58.000 0.037 0.000 1.090 874 F CB 0.797 39.819 39.000 0.037 0.000 1.150 874 F HN 0.709 nan 8.300 nan 0.000 0.472 875 E N 1.735 122.089 120.200 0.256 0.000 2.415 875 E HA 0.241 4.594 4.350 0.004 0.000 0.271 875 E C -1.682 174.989 176.600 0.119 0.000 1.094 875 E CA -1.402 55.081 56.400 0.139 0.000 0.881 875 E CB 1.625 31.380 29.700 0.092 0.000 1.581 875 E HN 0.329 nan 8.360 nan 0.000 0.460 876 K N 1.565 122.012 120.400 0.077 0.000 2.250 876 K HA 0.318 4.640 4.320 0.004 0.000 0.280 876 K C -2.324 174.272 176.600 -0.006 0.000 1.098 876 K CA -1.653 54.677 56.287 0.071 0.000 0.916 876 K CB 0.308 32.844 32.500 0.060 0.000 1.209 876 K HN 0.191 nan 8.250 nan 0.000 0.461 877 P HA -0.027 nan 4.420 nan 0.000 0.271 877 P C -1.448 175.726 177.300 -0.210 0.000 1.238 877 P CA -0.030 62.993 63.100 -0.129 0.000 0.794 877 P CB 0.503 32.112 31.700 -0.151 0.000 0.959 878 Q N -1.720 117.988 119.800 -0.154 0.000 2.721 878 Q HA 0.371 4.714 4.340 0.004 0.000 0.282 878 Q C 0.082 176.027 176.000 -0.091 0.000 0.932 878 Q CA -1.231 54.484 55.803 -0.145 0.000 0.816 878 Q CB 0.796 29.472 28.738 -0.105 0.000 1.506 878 Q HN 0.000 nan 8.270 nan 0.000 0.399 879 R N 0.703 121.156 120.500 -0.079 0.000 3.006 879 R HA -0.257 4.085 4.340 0.004 0.000 0.613 879 R C -0.022 176.256 176.300 -0.037 0.000 0.555 879 R CA 2.209 58.279 56.100 -0.050 0.000 1.165 879 R CB -2.703 27.575 30.300 -0.036 0.000 0.609 879 R HN 1.417 nan 8.270 nan 0.000 0.427 880 T N 1.074 115.612 114.554 -0.027 0.000 4.141 880 T HA -0.131 4.221 4.350 0.004 0.000 0.352 880 T C -0.010 174.683 174.700 -0.012 0.000 0.756 880 T CA 0.782 62.872 62.100 -0.018 0.000 1.958 880 T CB -1.558 67.300 68.868 -0.017 0.000 1.848 880 T HN 0.580 nan 8.240 nan 0.000 0.872 881 N N -2.510 116.183 118.700 -0.011 0.000 2.863 881 N HA -0.194 4.549 4.740 0.004 0.000 0.245 881 N C 1.010 176.518 175.510 -0.004 0.000 1.001 881 N CA 1.889 54.935 53.050 -0.006 0.000 0.901 881 N CB -1.772 36.713 38.487 -0.003 0.000 1.124 881 N HN 0.699 nan 8.380 nan 0.000 0.582 882 T N 0.229 114.779 114.554 -0.006 0.000 2.980 882 T HA 0.236 4.588 4.350 0.004 0.000 0.239 882 T C 1.286 175.985 174.700 -0.002 0.000 1.011 882 T CA 0.787 62.886 62.100 -0.002 0.000 1.171 882 T CB 0.013 68.880 68.868 -0.002 0.000 0.873 882 T HN 0.434 nan 8.240 nan 0.000 0.431 883 L N -0.045 121.171 121.223 -0.012 0.000 4.111 883 L HA -0.208 4.135 4.340 0.004 0.000 0.428 883 L C 0.345 177.217 176.870 0.003 0.000 1.149 883 L CA 0.574 55.406 54.840 -0.014 0.000 0.981 883 L CB -1.950 40.101 42.059 -0.015 0.000 1.914 883 L HN 0.103 nan 8.230 nan 0.000 1.016 884 R N 1.211 121.720 120.500 0.015 0.000 3.657 884 R HA 0.462 4.805 4.340 0.004 0.000 0.220 884 R C 0.094 176.432 176.300 0.063 0.000 1.548 884 R CA -0.243 55.881 56.100 0.040 0.000 1.465 884 R CB 0.292 30.617 30.300 0.041 0.000 1.330 884 R HN 0.293 nan 8.270 nan 0.000 0.707 885 M N 0.847 120.490 119.600 0.071 0.000 2.654 885 M HA 0.364 4.846 4.480 0.004 0.000 0.310 885 M C 0.279 176.711 176.300 0.219 0.000 1.211 885 M CA -1.093 54.283 55.300 0.128 0.000 0.947 885 M CB 1.292 33.921 32.600 0.048 0.000 1.647 885 M HN -0.086 nan 8.290 nan 0.000 0.481 886 K N 0.384 120.998 120.400 0.356 0.000 2.149 886 K HA 0.125 4.447 4.320 0.004 0.000 0.245 886 K C 1.332 178.101 176.600 0.283 0.000 1.024 886 K CA 0.194 56.652 56.287 0.286 0.000 0.899 886 K CB 0.234 32.821 32.500 0.144 0.000 1.038 886 K HN 0.493 nan 8.250 nan 0.000 0.496 887 H N -0.179 118.933 119.070 0.069 0.000 2.363 887 H HA -0.004 4.554 4.556 0.003 0.000 0.301 887 H C 0.953 176.303 175.328 0.037 0.000 1.074 887 H CA 0.728 56.807 56.048 0.051 0.000 1.354 887 H CB 0.169 29.948 29.762 0.028 0.000 1.397 887 H HN 0.669 nan 8.280 nan 0.000 0.516 888 G N 0.670 109.539 108.800 0.114 0.000 2.716 888 G HA2 0.090 4.053 3.960 0.004 0.000 0.251 888 G HA3 0.090 4.053 3.960 0.004 0.000 0.251 888 G C 0.108 174.989 174.900 -0.031 0.000 1.224 888 G CA 0.016 45.117 45.100 0.002 0.000 0.891 888 G HN 0.307 nan 8.290 nan 0.000 0.561 889 T N -2.575 111.949 114.554 -0.049 0.000 2.882 889 T HA 0.329 4.681 4.350 0.004 0.000 0.287 889 T C 0.349 174.999 174.700 -0.083 0.000 0.992 889 T CA -0.461 61.645 62.100 0.010 0.000 1.076 889 T CB 1.155 70.038 68.868 0.024 0.000 0.961 889 T HN 0.376 nan 8.240 nan 0.000 0.490 890 Y N 0.195 120.497 120.300 0.004 0.000 2.462 890 Y HA 0.178 4.728 4.550 -0.000 0.000 0.261 890 Y C 2.004 177.900 175.900 -0.006 0.000 1.146 890 Y CA -0.242 57.858 58.100 0.001 0.000 1.283 890 Y CB 0.124 38.589 38.460 0.007 0.000 1.090 890 Y HN 0.688 nan 8.280 nan 0.000 0.526 891 D N 0.464 120.934 120.400 0.115 0.000 2.351 891 D HA -0.131 4.511 4.640 0.004 0.000 0.216 891 D C 0.864 177.184 176.300 0.035 0.000 0.968 891 D CA 1.017 55.059 54.000 0.069 0.000 0.899 891 D CB -0.006 40.823 40.800 0.048 0.000 0.907 891 D HN 0.365 nan 8.370 nan 0.000 0.514 892 K N 0.282 120.690 120.400 0.013 0.000 2.577 892 K HA 0.225 4.547 4.320 0.004 0.000 0.210 892 K C -0.178 176.414 176.600 -0.013 0.000 1.048 892 K CA -0.066 56.214 56.287 -0.011 0.000 1.188 892 K CB 0.392 32.870 32.500 -0.037 0.000 0.910 892 K HN -0.022 nan 8.250 nan 0.000 0.483 893 L N 2.126 123.358 121.223 0.015 0.000 2.372 893 L HA 0.202 4.544 4.340 0.004 0.000 0.273 893 L C -0.192 176.692 176.870 0.023 0.000 0.989 893 L CA -0.898 53.952 54.840 0.016 0.000 0.841 893 L CB 1.389 43.482 42.059 0.058 0.000 1.225 893 L HN 0.161 nan 8.230 nan 0.000 0.414 894 D N 1.646 122.049 120.400 0.006 0.000 2.369 894 D HA -0.031 4.612 4.640 0.004 0.000 0.241 894 D C 0.196 176.507 176.300 0.017 0.000 1.271 894 D CA -0.489 53.517 54.000 0.010 0.000 0.942 894 D CB 1.108 41.910 40.800 0.003 0.000 1.129 894 D HN 0.462 nan 8.370 nan 0.000 0.476 895 D N -0.024 120.388 120.400 0.019 0.000 2.357 895 D HA -0.169 4.474 4.640 0.004 0.000 0.216 895 D C 1.077 177.398 176.300 0.036 0.000 0.973 895 D CA 1.117 55.133 54.000 0.027 0.000 0.912 895 D CB -0.198 40.616 40.800 0.023 0.000 0.900 895 D HN 0.545 nan 8.370 nan 0.000 0.501 896 D N -1.180 119.235 120.400 0.026 0.000 2.339 896 D HA 0.145 4.787 4.640 0.004 0.000 0.217 896 D C 1.501 177.811 176.300 0.016 0.000 1.050 896 D CA 0.558 54.577 54.000 0.033 0.000 0.856 896 D CB -0.052 40.760 40.800 0.018 0.000 0.922 896 D HN 0.122 nan 8.370 nan 0.000 0.518 897 G N -0.065 108.741 108.800 0.009 0.000 2.136 897 G HA2 -0.229 3.733 3.960 0.004 0.000 0.242 897 G HA3 -0.229 3.733 3.960 0.004 0.000 0.242 897 G C -0.107 174.721 174.900 -0.120 0.000 0.989 897 G CA 0.521 45.614 45.100 -0.011 0.000 0.682 897 G HN 0.428 nan 8.290 nan 0.000 0.522 898 L N -0.361 120.792 121.223 -0.116 0.000 2.323 898 L HA 0.724 5.066 4.340 0.004 0.000 0.265 898 L C 0.790 177.608 176.870 -0.086 0.000 1.012 898 L CA -1.592 53.164 54.840 -0.140 0.000 0.820 898 L CB 1.578 43.542 42.059 -0.159 0.000 1.334 898 L HN -0.041 nan 8.230 nan 0.000 0.427 899 I N 1.295 121.809 120.570 -0.093 0.000 2.519 899 I HA 0.328 4.501 4.170 0.004 0.000 0.287 899 I C 0.695 176.779 176.117 -0.056 0.000 1.047 899 I CA -0.345 60.912 61.300 -0.070 0.000 1.381 899 I CB 1.415 39.363 38.000 -0.086 0.000 1.417 899 I HN 0.686 nan 8.210 nan 0.000 0.540 900 A N 7.349 130.147 122.820 -0.038 0.000 2.488 900 A HA 0.281 4.603 4.320 0.004 0.000 0.249 900 A C -1.657 175.912 177.584 -0.025 0.000 1.083 900 A CA -1.119 50.902 52.037 -0.027 0.000 0.768 900 A CB -0.269 18.720 19.000 -0.018 0.000 1.017 900 A HN 0.574 nan 8.150 nan 0.000 0.496 901 P HA -0.112 nan 4.420 nan 0.000 0.231 901 P C 1.285 178.584 177.300 -0.002 0.000 1.154 901 P CA 1.759 64.855 63.100 -0.006 0.000 0.762 901 P CB 0.196 31.898 31.700 0.004 0.000 0.790 902 G N -1.454 107.341 108.800 -0.007 0.000 2.641 902 G HA2 0.008 3.970 3.960 0.004 0.000 0.207 902 G HA3 0.008 3.970 3.960 0.004 0.000 0.207 902 G C 0.395 175.289 174.900 -0.010 0.000 1.137 902 G CA -0.022 45.075 45.100 -0.005 0.000 0.824 902 G HN 0.063 nan 8.290 nan 0.000 0.547 903 V N 0.875 120.779 119.914 -0.017 0.000 3.083 903 V HA 0.051 4.173 4.120 0.004 0.000 0.303 903 V C 0.735 176.813 176.094 -0.027 0.000 1.151 903 V CA 0.335 62.622 62.300 -0.022 0.000 1.275 903 V CB 0.735 32.541 31.823 -0.028 0.000 0.950 903 V HN 0.293 nan 8.190 nan 0.000 0.506 904 R N 1.923 122.407 120.500 -0.026 0.000 2.294 904 R HA 0.605 4.948 4.340 0.004 0.000 0.319 904 R C -0.760 175.517 176.300 -0.038 0.000 0.984 904 R CA -0.440 55.644 56.100 -0.027 0.000 0.861 904 R CB 1.561 31.849 30.300 -0.019 0.000 1.104 904 R HN 0.709 nan 8.270 nan 0.000 0.451 905 V N 0.749 120.635 119.914 -0.048 0.000 2.815 905 V HA 0.894 5.016 4.120 0.004 0.000 0.314 905 V C -0.452 175.613 176.094 -0.048 0.000 1.064 905 V CA -0.433 61.829 62.300 -0.063 0.000 0.952 905 V CB 1.844 33.605 31.823 -0.103 0.000 1.020 905 V HN 0.951 nan 8.190 nan 0.000 0.439 906 S N 1.265 116.937 115.700 -0.047 0.000 2.661 906 S HA 0.858 5.330 4.470 0.004 0.000 0.268 906 S C 0.591 175.173 174.600 -0.031 0.000 1.162 906 S CA 0.188 58.369 58.200 -0.031 0.000 0.817 906 S CB 0.673 63.860 63.200 -0.022 0.000 1.141 906 S HN 2.700 nan 8.310 nan 0.000 0.477 907 G N 1.449 110.238 108.800 -0.018 0.000 2.660 907 G HA2 -0.324 3.639 3.960 0.004 0.000 0.338 907 G HA3 -0.324 3.639 3.960 0.004 0.000 0.338 907 G C 0.275 175.163 174.900 -0.021 0.000 1.336 907 G CA 0.919 46.011 45.100 -0.014 0.000 0.990 907 G HN 1.059 nan 8.290 nan 0.000 0.537 908 E N 1.471 121.658 120.200 -0.021 0.000 2.403 908 E HA 0.183 4.535 4.350 0.004 0.000 0.187 908 E C -0.098 176.461 176.600 -0.069 0.000 1.073 908 E CA 0.035 56.418 56.400 -0.029 0.000 0.888 908 E CB -0.052 29.644 29.700 -0.006 0.000 1.035 908 E HN 0.421 nan 8.360 nan 0.000 0.471 909 D N 1.027 121.377 120.400 -0.083 0.000 2.629 909 D HA -0.076 4.566 4.640 0.004 0.000 0.228 909 D C -0.293 175.892 176.300 -0.192 0.000 1.127 909 D CA 0.370 54.293 54.000 -0.128 0.000 0.855 909 D CB 0.757 41.488 40.800 -0.115 0.000 1.180 909 D HN -0.164 nan 8.370 nan 0.000 0.484 910 V N 4.404 124.142 119.914 -0.292 0.000 2.530 910 V HA 0.087 4.209 4.120 0.004 0.000 0.282 910 V C 1.474 177.428 176.094 -0.233 0.000 1.048 910 V CA -0.205 61.882 62.300 -0.355 0.000 0.997 910 V CB 1.252 32.622 31.823 -0.755 0.000 0.987 910 V HN 0.492 nan 8.190 nan 0.000 0.477 911 I N 3.689 124.138 120.570 -0.201 0.000 3.194 911 I HA 0.274 4.446 4.170 0.004 0.000 0.271 911 I C 0.414 176.438 176.117 -0.155 0.000 1.150 911 I CA 0.918 62.094 61.300 -0.206 0.000 1.440 911 I CB 0.574 38.377 38.000 -0.329 0.000 1.276 911 I HN 0.441 nan 8.210 nan 0.000 0.457 912 I N 0.523 121.025 120.570 -0.113 0.000 2.465 912 I HA 0.421 4.593 4.170 0.004 0.000 0.291 912 I C 0.077 176.206 176.117 0.020 0.000 1.014 912 I CA -0.514 60.730 61.300 -0.094 0.000 1.093 912 I CB 2.001 39.937 38.000 -0.106 0.000 1.267 912 I HN -0.072 nan 8.210 nan 0.000 0.431 913 G N 4.808 113.656 108.800 0.080 0.000 2.417 913 G HA2 0.740 4.702 3.960 0.004 0.000 0.334 913 G HA3 0.740 4.702 3.960 0.004 0.000 0.334 913 G C -1.204 173.874 174.900 0.297 0.000 1.150 913 G CA -0.398 44.839 45.100 0.229 0.000 0.923 913 G HN 0.669 nan 8.290 nan 0.000 0.485 914 K N 0.131 120.708 120.400 0.295 0.000 2.580 914 K HA 0.356 4.678 4.320 0.004 0.000 0.258 914 K C -0.643 176.042 176.600 0.142 0.000 0.936 914 K CA -0.611 55.846 56.287 0.284 0.000 0.852 914 K CB 1.105 33.826 32.500 0.368 0.000 1.329 914 K HN 0.710 nan 8.250 nan 0.000 0.430 915 T N -0.569 114.035 114.554 0.083 0.000 2.824 915 T HA 0.394 4.747 4.350 0.004 0.000 0.277 915 T C -0.009 174.699 174.700 0.013 0.000 0.975 915 T CA -0.425 61.700 62.100 0.042 0.000 0.966 915 T CB 1.408 70.289 68.868 0.022 0.000 1.054 915 T HN 0.567 nan 8.240 nan 0.000 0.533 916 T N 2.492 117.052 114.554 0.009 0.000 3.523 916 T HA 0.342 4.695 4.350 0.004 0.000 0.265 916 T C -2.964 171.738 174.700 0.003 0.000 0.986 916 T CA -1.067 61.033 62.100 -0.000 0.000 1.616 916 T CB 0.064 68.937 68.868 0.008 0.000 0.803 916 T HN 0.584 nan 8.240 nan 0.000 0.603 917 P HA 0.164 nan 4.420 nan 0.000 0.263 917 P C -0.656 176.646 177.300 0.004 0.000 1.175 917 P CA -0.095 63.005 63.100 0.000 0.000 0.761 917 P CB 0.478 32.176 31.700 -0.003 0.000 0.794 918 I N 1.564 122.138 120.570 0.006 0.000 2.582 918 I HA 0.403 4.575 4.170 0.004 0.000 0.292 918 I C 0.543 176.665 176.117 0.008 0.000 1.066 918 I CA -0.639 60.666 61.300 0.008 0.000 1.053 918 I CB 1.693 39.700 38.000 0.011 0.000 1.241 918 I HN 0.483 nan 8.210 nan 0.000 0.421 934 K N 2.264 122.664 120.400 -0.000 0.000 2.253 934 K HA 0.610 4.933 4.320 0.004 0.000 0.277 934 K C -0.639 175.964 176.600 0.005 0.000 1.053 934 K CA -0.451 55.837 56.287 0.002 0.000 0.892 934 K CB 1.481 33.980 32.500 -0.000 0.000 1.102 934 K HN 0.228 nan 8.250 nan 0.000 0.469 935 R N 1.868 122.376 120.500 0.013 0.000 2.441 935 R HA 0.059 4.402 4.340 0.004 0.000 0.284 935 R C 0.063 176.385 176.300 0.036 0.000 1.070 935 R CA -0.463 55.651 56.100 0.023 0.000 1.047 935 R CB 0.750 31.065 30.300 0.026 0.000 1.016 935 R HN 0.690 nan 8.270 nan 0.000 0.477 936 D N 0.964 121.393 120.400 0.049 0.000 2.368 936 D HA 0.109 4.751 4.640 0.004 0.000 0.240 936 D C -0.716 175.640 176.300 0.093 0.000 1.169 936 D CA 0.350 54.399 54.000 0.082 0.000 0.906 936 D CB 1.032 41.901 40.800 0.115 0.000 1.187 936 D HN 0.598 nan 8.370 nan 0.000 0.435 937 A N 1.831 124.723 122.820 0.120 0.000 3.241 937 A HA 0.263 4.585 4.320 0.004 0.000 0.198 937 A C -0.690 176.980 177.584 0.144 0.000 1.003 937 A CA -0.532 51.573 52.037 0.113 0.000 1.134 937 A CB -0.091 18.962 19.000 0.088 0.000 1.289 937 A HN 0.261 nan 8.150 nan 0.000 0.623 938 S N 0.860 116.657 115.700 0.161 0.000 2.525 938 S HA 0.577 5.049 4.470 0.004 0.000 0.290 938 S C 0.235 174.891 174.600 0.093 0.000 1.152 938 S CA -0.316 57.977 58.200 0.155 0.000 1.072 938 S CB 1.286 64.612 63.200 0.209 0.000 1.027 938 S HN 0.473 nan 8.310 nan 0.000 0.500 939 T N 4.671 119.272 114.554 0.078 0.000 2.729 939 T HA 0.381 4.734 4.350 0.004 0.000 0.296 939 T C -2.553 172.160 174.700 0.022 0.000 0.928 939 T CA -1.318 60.831 62.100 0.082 0.000 1.045 939 T CB 0.312 69.267 68.868 0.145 0.000 0.902 939 T HN 0.335 nan 8.240 nan 0.000 0.500 940 P HA 0.192 nan 4.420 nan 0.000 0.296 940 P C 0.145 177.461 177.300 0.027 0.000 1.306 940 P CA -0.984 62.096 63.100 -0.035 0.000 0.818 940 P CB 0.745 32.422 31.700 -0.037 0.000 0.969 941 L N 4.258 125.425 121.223 -0.092 0.000 2.678 941 L HA -0.069 4.273 4.340 0.004 0.000 0.285 941 L C 0.784 177.724 176.870 0.115 0.000 1.233 941 L CA 0.912 55.702 54.840 -0.084 0.000 0.920 941 L CB -0.447 41.513 42.059 -0.166 0.000 1.176 941 L HN 0.565 nan 8.230 nan 0.000 0.495 942 R N 3.443 124.124 120.500 0.302 0.000 2.793 942 R HA -0.196 4.146 4.340 0.004 0.000 0.231 942 R C 1.701 178.041 176.300 0.068 0.000 0.879 942 R CA 0.844 57.043 56.100 0.165 0.000 1.002 942 R CB -0.198 30.195 30.300 0.155 0.000 0.918 942 R HN 0.907 nan 8.270 nan 0.000 0.400 943 S N 1.428 117.147 115.700 0.032 0.000 2.400 943 S HA -0.177 4.295 4.470 0.004 0.000 0.232 943 S C 1.475 176.077 174.600 0.005 0.000 1.025 943 S CA 1.853 60.056 58.200 0.005 0.000 0.993 943 S CB -0.102 63.089 63.200 -0.015 0.000 0.808 943 S HN 0.714 nan 8.310 nan 0.000 0.478 944 T N 0.329 114.886 114.554 0.005 0.000 3.044 944 T HA 0.250 4.602 4.350 0.004 0.000 0.255 944 T C 0.834 175.530 174.700 -0.007 0.000 1.073 944 T CA 0.317 62.414 62.100 -0.004 0.000 1.125 944 T CB -0.013 68.843 68.868 -0.019 0.000 0.908 944 T HN 0.520 nan 8.240 nan 0.000 0.480 945 E N 1.813 122.022 120.200 0.014 0.000 2.602 945 E HA 0.433 4.786 4.350 0.004 0.000 0.255 945 E C -0.106 176.502 176.600 0.014 0.000 1.268 945 E CA -0.671 55.738 56.400 0.014 0.000 1.007 945 E CB 0.562 30.310 29.700 0.080 0.000 1.208 945 E HN 0.437 nan 8.360 nan 0.000 0.584 946 N N -0.974 117.737 118.700 0.018 0.000 3.545 946 N HA 0.417 5.159 4.740 0.004 0.000 0.227 946 N C -0.608 174.910 175.510 0.014 0.000 1.380 946 N CA -0.120 52.932 53.050 0.004 0.000 0.892 946 N CB 1.036 39.516 38.487 -0.012 0.000 1.441 946 N HN 0.681 nan 8.380 nan 0.000 0.497 947 G N -0.139 108.660 108.800 -0.002 0.000 2.403 947 G HA2 0.271 4.234 3.960 0.004 0.000 0.223 947 G HA3 0.271 4.234 3.960 0.004 0.000 0.223 947 G C -1.962 172.927 174.900 -0.018 0.000 1.287 947 G CA -0.518 44.580 45.100 -0.003 0.000 0.982 947 G HN 0.634 nan 8.290 nan 0.000 0.471 948 I N 0.732 121.289 120.570 -0.021 0.000 2.582 948 I HA 0.432 4.604 4.170 0.004 0.000 0.292 948 I C 0.338 176.442 176.117 -0.021 0.000 1.066 948 I CA -1.159 60.126 61.300 -0.024 0.000 1.053 948 I CB 2.290 40.280 38.000 -0.016 0.000 1.241 948 I HN 0.367 nan 8.210 nan 0.000 0.421 949 V N 4.773 124.670 119.914 -0.028 0.000 2.694 949 V HA -0.055 4.068 4.120 0.004 0.000 0.306 949 V C 0.688 176.791 176.094 0.017 0.000 1.054 949 V CA 0.544 62.831 62.300 -0.021 0.000 1.161 949 V CB 0.642 32.441 31.823 -0.041 0.000 0.916 949 V HN 0.885 nan 8.190 nan 0.000 0.490 950 D N 1.998 122.429 120.400 0.053 0.000 2.626 950 D HA 0.127 4.770 4.640 0.004 0.000 0.274 950 D C 0.446 176.802 176.300 0.093 0.000 1.045 950 D CA 0.250 54.312 54.000 0.105 0.000 0.925 950 D CB 1.216 42.147 40.800 0.218 0.000 1.260 950 D HN 0.685 nan 8.370 nan 0.000 0.490 951 Q N 0.191 120.036 119.800 0.074 0.000 2.391 951 Q HA 0.417 4.760 4.340 0.004 0.000 0.279 951 Q C -1.995 174.018 176.000 0.022 0.000 1.028 951 Q CA -0.591 55.239 55.803 0.045 0.000 0.836 951 Q CB 3.084 31.851 28.738 0.048 0.000 1.414 951 Q HN -0.146 nan 8.270 nan 0.000 0.397 952 V N 3.887 123.803 119.914 0.004 0.000 2.439 952 V HA 0.312 4.434 4.120 0.004 0.000 0.277 952 V C -0.689 175.395 176.094 -0.016 0.000 1.008 952 V CA -0.583 61.706 62.300 -0.019 0.000 0.846 952 V CB 1.305 33.102 31.823 -0.042 0.000 1.031 952 V HN 0.711 nan 8.190 nan 0.000 0.441 953 L N 6.348 127.565 121.223 -0.010 0.000 2.290 953 L HA 0.694 5.036 4.340 0.004 0.000 0.284 953 L C -0.629 176.246 176.870 0.009 0.000 1.078 953 L CA 0.067 54.916 54.840 0.015 0.000 0.815 953 L CB 1.278 43.361 42.059 0.041 0.000 1.162 953 L HN 0.403 nan 8.230 nan 0.000 0.435 954 V N 4.629 124.567 119.914 0.040 0.000 2.304 954 V HA 0.480 4.602 4.120 0.004 0.000 0.278 954 V C 0.224 176.398 176.094 0.133 0.000 1.018 954 V CA -0.301 62.040 62.300 0.068 0.000 0.814 954 V CB 0.745 32.595 31.823 0.045 0.000 1.021 954 V HN 0.961 nan 8.190 nan 0.000 0.440 955 T N 2.240 116.933 114.554 0.231 0.000 2.807 955 T HA 0.560 4.913 4.350 0.004 0.000 0.277 955 T C -0.101 174.751 174.700 0.253 0.000 1.006 955 T CA -0.452 61.795 62.100 0.245 0.000 1.006 955 T CB 2.151 71.204 68.868 0.308 0.000 1.274 955 T HN 0.626 nan 8.240 nan 0.000 0.569 956 T N 0.885 115.521 114.554 0.136 0.000 2.918 956 T HA 0.535 4.887 4.350 0.004 0.000 0.286 956 T C -0.972 173.676 174.700 -0.087 0.000 1.026 956 T CA -0.797 61.342 62.100 0.065 0.000 1.031 956 T CB 0.817 69.703 68.868 0.030 0.000 1.046 956 T HN 0.594 nan 8.240 nan 0.000 0.479 957 N N 2.929 121.529 118.700 -0.167 0.000 2.511 957 N HA 0.295 5.038 4.740 0.004 0.000 0.249 957 N C 0.988 176.408 175.510 -0.150 0.000 0.971 957 N CA -0.237 52.624 53.050 -0.315 0.000 0.938 957 N CB 0.868 39.037 38.487 -0.530 0.000 1.131 957 N HN 0.829 nan 8.380 nan 0.000 0.505 958 Q N 1.455 121.187 119.800 -0.113 0.000 2.562 958 Q HA -0.389 3.953 4.340 0.004 0.000 0.242 958 Q C 0.055 176.033 176.000 -0.036 0.000 2.378 958 Q CA 2.662 58.431 55.803 -0.056 0.000 0.912 958 Q CB -0.630 28.087 28.738 -0.035 0.000 0.762 958 Q HN 0.748 nan 8.270 nan 0.000 0.582 959 D N -0.514 119.868 120.400 -0.030 0.000 2.400 959 D HA 0.008 4.650 4.640 0.004 0.000 0.242 959 D C 0.701 176.988 176.300 -0.022 0.000 1.077 959 D CA 1.132 55.124 54.000 -0.014 0.000 0.943 959 D CB -0.529 40.274 40.800 0.004 0.000 0.882 959 D HN 0.631 nan 8.370 nan 0.000 0.529 960 G N 0.980 109.764 108.800 -0.026 0.000 2.273 960 G HA2 -0.288 3.674 3.960 0.004 0.000 0.280 960 G HA3 -0.288 3.674 3.960 0.004 0.000 0.280 960 G C 0.211 175.108 174.900 -0.005 0.000 1.047 960 G CA -0.096 44.994 45.100 -0.017 0.000 0.869 960 G HN 0.344 nan 8.290 nan 0.000 0.502 961 L N -0.241 120.981 121.223 -0.002 0.000 2.289 961 L HA 0.410 4.752 4.340 0.004 0.000 0.285 961 L C 1.024 177.957 176.870 0.104 0.000 1.049 961 L CA -0.804 54.057 54.840 0.034 0.000 0.804 961 L CB 1.417 43.499 42.059 0.038 0.000 1.195 961 L HN 0.118 nan 8.230 nan 0.000 0.428 962 K N 2.741 123.215 120.400 0.124 0.000 2.350 962 K HA 0.286 4.609 4.320 0.004 0.000 0.279 962 K C -1.325 175.516 176.600 0.403 0.000 1.027 962 K CA 0.018 56.440 56.287 0.226 0.000 0.969 962 K CB 0.597 33.200 32.500 0.171 0.000 0.954 962 K HN 0.335 nan 8.250 nan 0.000 0.474 963 F N 3.614 123.712 119.950 0.247 0.000 2.604 963 F HA 0.338 4.869 4.527 0.005 0.000 0.316 963 F C -1.656 174.256 175.800 0.187 0.000 1.136 963 F CA -0.683 57.447 58.000 0.217 0.000 0.989 963 F CB 1.287 40.364 39.000 0.128 0.000 1.258 963 F HN 0.160 nan 8.300 nan 0.000 0.451 964 V N 5.355 125.073 119.914 -0.327 0.000 2.823 964 V HA 0.555 4.677 4.120 0.004 0.000 0.312 964 V C -0.876 174.967 176.094 -0.417 0.000 1.072 964 V CA -1.018 61.110 62.300 -0.287 0.000 0.937 964 V CB 2.455 34.102 31.823 -0.292 0.000 1.013 964 V HN 0.660 nan 8.190 nan 0.000 0.430 965 K N 2.559 122.814 120.400 -0.241 0.000 2.992 965 K HA 0.362 4.684 4.320 0.004 0.000 0.178 965 K C -1.145 175.423 176.600 -0.053 0.000 1.122 965 K CA -0.299 55.894 56.287 -0.157 0.000 0.926 965 K CB 1.834 34.257 32.500 -0.129 0.000 1.121 965 K HN 0.485 nan 8.250 nan 0.000 0.610 966 V N 2.224 122.116 119.914 -0.037 0.000 2.585 966 V HA 0.148 4.270 4.120 0.004 0.000 0.296 966 V C 0.482 176.623 176.094 0.080 0.000 1.035 966 V CA 0.020 62.311 62.300 -0.014 0.000 1.084 966 V CB 0.522 32.296 31.823 -0.081 0.000 0.953 966 V HN 0.526 nan 8.190 nan 0.000 0.483 967 R N 3.985 124.527 120.500 0.070 0.000 2.534 967 R HA 0.735 5.077 4.340 0.004 0.000 0.301 967 R C -1.754 174.610 176.300 0.107 0.000 0.961 967 R CA -0.534 55.649 56.100 0.138 0.000 0.871 967 R CB 2.018 32.400 30.300 0.137 0.000 1.170 967 R HN 0.498 nan 8.270 nan 0.000 0.446 968 V N 4.273 124.265 119.914 0.131 0.000 2.581 968 V HA 0.596 4.718 4.120 0.004 0.000 0.303 968 V C -0.327 175.797 176.094 0.051 0.000 1.041 968 V CA -0.881 61.458 62.300 0.066 0.000 0.907 968 V CB 1.644 33.483 31.823 0.027 0.000 0.994 968 V HN 0.728 nan 8.190 nan 0.000 0.442 969 R N 2.354 122.830 120.500 -0.040 0.000 2.513 969 R HA 0.655 4.997 4.340 0.004 0.000 0.301 969 R C -1.151 175.070 176.300 -0.131 0.000 0.968 969 R CA -0.169 55.785 56.100 -0.242 0.000 0.872 969 R CB 2.122 32.106 30.300 -0.526 0.000 1.177 969 R HN 0.868 nan 8.270 nan 0.000 0.444 970 T N 1.261 115.783 114.554 -0.053 0.000 2.932 970 T HA 0.398 4.750 4.350 0.004 0.000 0.289 970 T C -0.297 174.376 174.700 -0.045 0.000 1.039 970 T CA -0.604 61.485 62.100 -0.018 0.000 1.024 970 T CB 1.851 70.735 68.868 0.026 0.000 1.090 970 T HN 0.405 nan 8.240 nan 0.000 0.496 971 T N 2.524 117.058 114.554 -0.034 0.000 2.795 971 T HA 0.404 4.756 4.350 0.004 0.000 0.282 971 T C -0.230 174.424 174.700 -0.076 0.000 0.980 971 T CA -0.659 61.407 62.100 -0.056 0.000 1.012 971 T CB 0.472 69.340 68.868 -0.000 0.000 0.936 971 T HN 0.367 nan 8.240 nan 0.000 0.457 972 K N 3.345 123.682 120.400 -0.105 0.000 2.206 972 K HA 0.565 4.887 4.320 0.004 0.000 0.264 972 K C -0.700 175.836 176.600 -0.107 0.000 0.967 972 K CA -0.630 55.596 56.287 -0.101 0.000 0.844 972 K CB 1.466 33.897 32.500 -0.115 0.000 1.099 972 K HN 0.463 nan 8.250 nan 0.000 0.441 973 I N 3.584 124.116 120.570 -0.064 0.000 2.460 973 I HA 0.257 4.430 4.170 0.004 0.000 0.298 973 I C -2.082 174.053 176.117 0.030 0.000 0.989 973 I CA -2.734 58.547 61.300 -0.033 0.000 1.173 973 I CB 1.140 39.128 38.000 -0.020 0.000 1.338 973 I HN 0.381 nan 8.210 nan 0.000 0.456 974 P HA -0.041 nan 4.420 nan 0.000 0.256 974 P C -0.759 176.606 177.300 0.108 0.000 1.189 974 P CA 0.411 63.634 63.100 0.205 0.000 0.808 974 P CB 0.571 32.447 31.700 0.293 0.000 0.793 975 Q N 2.316 122.175 119.800 0.098 0.000 2.633 975 Q HA 0.318 4.660 4.340 0.004 0.000 0.208 975 Q C 1.207 177.228 176.000 0.034 0.000 1.010 975 Q CA -0.982 54.844 55.803 0.040 0.000 0.982 975 Q CB 1.272 30.024 28.738 0.022 0.000 1.334 975 Q HN 0.191 nan 8.270 nan 0.000 0.508 976 I N -0.051 120.524 120.570 0.008 0.000 2.086 976 I HA -0.126 4.047 4.170 0.004 0.000 0.233 976 I C 1.686 177.817 176.117 0.024 0.000 1.060 976 I CA 2.169 63.464 61.300 -0.008 0.000 1.326 976 I CB -0.470 37.520 38.000 -0.017 0.000 1.067 976 I HN 0.814 nan 8.210 nan 0.000 0.398 977 G N 0.054 108.876 108.800 0.036 0.000 2.776 977 G HA2 -0.094 3.868 3.960 0.004 0.000 0.209 977 G HA3 -0.094 3.868 3.960 0.004 0.000 0.209 977 G C 0.185 175.139 174.900 0.091 0.000 1.145 977 G CA -0.048 45.082 45.100 0.050 0.000 0.791 977 G HN 0.350 nan 8.290 nan 0.000 0.530 978 D N 0.405 120.895 120.400 0.151 0.000 2.443 978 D HA 0.153 4.796 4.640 0.004 0.000 0.239 978 D C 0.472 176.952 176.300 0.301 0.000 1.136 978 D CA 0.366 54.489 54.000 0.205 0.000 0.879 978 D CB 1.117 42.096 40.800 0.299 0.000 1.195 978 D HN 0.116 nan 8.370 nan 0.000 0.443 979 K N 1.193 121.639 120.400 0.077 0.000 2.174 979 K HA 0.417 4.739 4.320 0.004 0.000 0.275 979 K C -1.107 175.431 176.600 -0.103 0.000 1.015 979 K CA -0.253 56.091 56.287 0.095 0.000 0.933 979 K CB 0.458 32.990 32.500 0.053 0.000 1.025 979 K HN 0.193 nan 8.250 nan 0.000 0.463 980 F N 0.488 120.424 119.950 -0.022 0.000 2.668 980 F HA 0.603 5.132 4.527 0.003 0.000 0.309 980 F C -0.871 174.946 175.800 0.028 0.000 1.117 980 F CA -0.850 57.123 58.000 -0.045 0.000 0.951 980 F CB 2.259 41.197 39.000 -0.102 0.000 1.323 980 F HN 0.532 nan 8.300 nan 0.000 0.451 981 A N 0.865 123.788 122.820 0.172 0.000 2.518 981 A HA 0.579 4.901 4.320 0.004 0.000 0.295 981 A C 0.048 177.416 177.584 -0.360 0.000 1.052 981 A CA -0.200 51.831 52.037 -0.010 0.000 0.824 981 A CB 0.608 19.610 19.000 0.003 0.000 1.325 981 A HN 1.123 nan 8.150 nan 0.000 0.394 982 S N 2.603 117.661 115.700 -1.071 0.000 3.864 982 S HA -0.203 4.270 4.470 0.004 0.000 0.504 982 S C 1.071 175.423 174.600 -0.415 0.000 1.132 982 S CA 1.884 59.404 58.200 -1.133 0.000 3.108 982 S CB -0.119 62.705 63.200 -0.628 0.000 2.083 982 S HN 0.998 nan 8.310 nan 0.000 0.273 983 R N -0.306 119.999 120.500 -0.325 0.000 2.538 983 R HA 0.270 4.613 4.340 0.004 0.000 0.372 983 R C -0.960 174.940 176.300 -0.668 0.000 0.950 983 R CA -0.085 55.734 56.100 -0.468 0.000 1.168 983 R CB 0.563 30.563 30.300 -0.499 0.000 1.542 983 R HN 0.803 nan 8.270 nan 0.000 0.536 984 H N -1.978 117.123 119.070 0.052 0.000 2.514 984 H HA 0.338 4.896 4.556 0.004 0.000 0.226 984 H C 0.802 176.206 175.328 0.126 0.000 1.421 984 H CA -0.215 55.895 56.048 0.103 0.000 1.394 984 H CB 1.022 30.866 29.762 0.137 0.000 1.701 984 H HN 0.184 nan 8.280 nan 0.000 0.515 985 G N 0.778 109.697 108.800 0.200 0.000 2.322 985 G HA2 -0.402 3.560 3.960 0.004 0.000 0.264 985 G HA3 -0.402 3.560 3.960 0.004 0.000 0.264 985 G C 0.879 175.827 174.900 0.079 0.000 0.992 985 G CA 0.246 45.458 45.100 0.186 0.000 0.624 985 G HN 0.459 nan 8.290 nan 0.000 0.543 986 Q N 1.723 121.599 119.800 0.127 0.000 2.736 986 Q HA 0.245 4.587 4.340 0.004 0.000 0.234 986 Q C 1.095 177.138 176.000 0.072 0.000 1.354 986 Q CA 0.670 56.533 55.803 0.101 0.000 0.891 986 Q CB -0.435 28.412 28.738 0.183 0.000 1.665 986 Q HN 0.837 nan 8.270 nan 0.000 0.563 987 K N -0.640 119.784 120.400 0.039 0.000 2.132 987 K HA 0.860 5.182 4.320 0.004 0.000 0.241 987 K C 0.006 176.653 176.600 0.079 0.000 1.000 987 K CA -0.817 55.501 56.287 0.052 0.000 0.911 987 K CB 1.431 33.937 32.500 0.009 0.000 1.093 987 K HN 0.228 nan 8.250 nan 0.000 0.460 988 G N -0.057 108.810 108.800 0.112 0.000 2.377 988 G HA2 0.284 4.246 3.960 0.004 0.000 0.297 988 G HA3 0.284 4.246 3.960 0.004 0.000 0.297 988 G C -1.466 173.520 174.900 0.144 0.000 1.547 988 G CA -0.569 44.597 45.100 0.109 0.000 0.833 988 G HN 0.760 nan 8.290 nan 0.000 0.583 989 T N -0.690 113.924 114.554 0.100 0.000 2.855 989 T HA 0.659 5.011 4.350 0.004 0.000 0.281 989 T C 0.599 175.325 174.700 0.043 0.000 1.007 989 T CA -0.631 61.541 62.100 0.119 0.000 1.009 989 T CB 0.902 69.826 68.868 0.093 0.000 0.983 989 T HN 0.625 nan 8.240 nan 0.000 0.455 990 I N 3.552 124.117 120.570 -0.008 0.000 2.906 990 I HA 0.078 4.250 4.170 0.004 0.000 0.301 990 I C 1.620 177.715 176.117 -0.037 0.000 1.221 990 I CA 0.665 61.906 61.300 -0.099 0.000 1.435 990 I CB 0.454 38.356 38.000 -0.164 0.000 1.345 990 I HN 1.036 nan 8.210 nan 0.000 0.558 991 G N 6.742 115.519 108.800 -0.037 0.000 2.656 991 G HA2 0.250 4.212 3.960 0.004 0.000 0.211 991 G HA3 0.250 4.212 3.960 0.004 0.000 0.211 991 G C 0.142 175.010 174.900 -0.053 0.000 1.137 991 G CA 0.316 45.428 45.100 0.020 0.000 0.802 991 G HN 0.485 nan 8.290 nan 0.000 0.527 992 I N -0.225 120.236 120.570 -0.182 0.000 3.021 992 I HA 0.463 4.635 4.170 0.004 0.000 0.305 992 I C -1.370 174.510 176.117 -0.395 0.000 1.434 992 I CA -0.549 60.546 61.300 -0.342 0.000 0.969 992 I CB 2.368 40.001 38.000 -0.613 0.000 1.328 992 I HN 0.004 nan 8.210 nan 0.000 0.486 993 T N 1.490 115.836 114.554 -0.347 0.000 2.812 993 T HA 0.602 4.954 4.350 0.004 0.000 0.282 993 T C -1.132 173.493 174.700 -0.126 0.000 0.990 993 T CA -0.447 61.503 62.100 -0.249 0.000 0.960 993 T CB 0.751 69.550 68.868 -0.115 0.000 0.948 993 T HN 0.379 nan 8.240 nan 0.000 0.438 994 Y N 1.278 121.572 120.300 -0.011 0.000 2.341 994 Y HA 0.475 5.028 4.550 0.004 0.000 0.338 994 Y C 1.194 177.105 175.900 0.019 0.000 0.965 994 Y CA -1.621 56.493 58.100 0.023 0.000 1.108 994 Y CB 1.742 40.253 38.460 0.086 0.000 1.180 994 Y HN 0.420 nan 8.280 nan 0.000 0.458 995 R N 1.162 121.773 120.500 0.184 0.000 2.863 995 R HA 0.030 4.372 4.340 0.004 0.000 0.273 995 R C 1.524 177.881 176.300 0.095 0.000 1.057 995 R CA -0.141 56.018 56.100 0.098 0.000 1.191 995 R CB 0.427 30.762 30.300 0.058 0.000 1.104 995 R HN 0.737 nan 8.270 nan 0.000 0.519 996 R N 0.977 121.509 120.500 0.053 0.000 2.159 996 R HA -0.208 4.135 4.340 0.004 0.000 0.237 996 R C 1.186 177.507 176.300 0.034 0.000 1.131 996 R CA 2.078 58.202 56.100 0.040 0.000 0.982 996 R CB 0.117 30.422 30.300 0.009 0.000 0.868 996 R HN 0.598 nan 8.270 nan 0.000 0.453 997 E N 0.355 120.570 120.200 0.025 0.000 2.028 997 E HA -0.125 4.227 4.350 0.004 0.000 0.190 997 E C 1.494 178.157 176.600 0.105 0.000 0.984 997 E CA 1.255 57.665 56.400 0.017 0.000 0.800 997 E CB -0.371 29.325 29.700 -0.007 0.000 0.758 997 E HN 0.291 nan 8.360 nan 0.000 0.448 998 D N 0.154 120.623 120.400 0.115 0.000 2.315 998 D HA -0.120 4.522 4.640 0.004 0.000 0.211 998 D C 0.511 176.979 176.300 0.279 0.000 0.977 998 D CA 0.720 54.831 54.000 0.185 0.000 0.894 998 D CB -0.086 40.709 40.800 -0.008 0.000 0.910 998 D HN 0.179 nan 8.370 nan 0.000 0.490 999 M N 1.186 120.907 119.600 0.202 0.000 2.255 999 M HA 0.191 4.673 4.480 0.004 0.000 0.336 999 M C -2.326 174.041 176.300 0.111 0.000 1.135 999 M CA -1.708 53.657 55.300 0.109 0.000 1.145 999 M CB 1.377 34.033 32.600 0.092 0.000 1.473 999 M HN -0.281 nan 8.290 nan 0.000 0.462 1000 P HA 0.232 nan 4.420 nan 0.000 0.274 1000 P C -1.574 175.778 177.300 0.087 0.000 1.231 1000 P CA -0.048 63.040 63.100 -0.019 0.000 0.790 1000 P CB 0.159 31.696 31.700 -0.272 0.000 0.951 1001 F N -2.040 117.882 119.950 -0.047 0.000 2.569 1001 F HA 0.562 5.091 4.527 0.004 0.000 0.312 1001 F C 0.024 175.821 175.800 -0.005 0.000 1.109 1001 F CA -1.184 56.790 58.000 -0.044 0.000 0.919 1001 F CB 1.158 40.166 39.000 0.013 0.000 1.211 1001 F HN 0.196 nan 8.300 nan 0.000 0.446 1002 T N 1.603 116.149 114.554 -0.013 0.000 2.900 1002 T HA 0.384 4.736 4.350 0.004 0.000 0.307 1002 T C 1.341 176.178 174.700 0.229 0.000 1.065 1002 T CA 0.251 62.364 62.100 0.023 0.000 1.105 1002 T CB 1.098 69.992 68.868 0.042 0.000 0.979 1002 T HN 1.007 nan 8.240 nan 0.000 0.544 1003 A N 3.153 126.119 122.820 0.244 0.000 1.986 1003 A HA -0.093 4.229 4.320 0.004 0.000 0.220 1003 A C 1.867 179.552 177.584 0.168 0.000 1.171 1003 A CA 2.020 54.201 52.037 0.240 0.000 0.640 1003 A CB -0.641 18.507 19.000 0.246 0.000 0.811 1003 A HN 0.976 nan 8.150 nan 0.000 0.451 1004 E N -1.621 118.673 120.200 0.157 0.000 2.502 1004 E HA 0.316 4.669 4.350 0.004 0.000 0.194 1004 E C 1.163 177.841 176.600 0.130 0.000 1.062 1004 E CA 0.353 56.825 56.400 0.119 0.000 0.867 1004 E CB -0.093 29.678 29.700 0.118 0.000 0.888 1004 E HN 0.736 nan 8.360 nan 0.000 0.510 1005 G N 0.748 109.659 108.800 0.185 0.000 2.218 1005 G HA2 -0.207 3.755 3.960 0.004 0.000 0.216 1005 G HA3 -0.207 3.755 3.960 0.004 0.000 0.216 1005 G C 0.343 175.332 174.900 0.149 0.000 0.994 1005 G CA -0.335 44.849 45.100 0.139 0.000 0.637 1005 G HN 0.131 nan 8.290 nan 0.000 0.505 1006 I N 0.964 121.653 120.570 0.199 0.000 3.045 1006 I HA 0.389 4.561 4.170 0.004 0.000 0.288 1006 I C 0.962 177.236 176.117 0.262 0.000 1.238 1006 I CA 0.234 61.673 61.300 0.232 0.000 1.396 1006 I CB 0.972 39.173 38.000 0.336 0.000 1.355 1006 I HN -0.022 nan 8.210 nan 0.000 0.601 1007 V N 5.494 125.570 119.914 0.270 0.000 3.078 1007 V HA 0.474 4.596 4.120 0.004 0.000 0.311 1007 V C -2.361 173.954 176.094 0.368 0.000 1.138 1007 V CA -1.441 61.013 62.300 0.256 0.000 1.007 1007 V CB 3.001 34.907 31.823 0.139 0.000 1.045 1007 V HN 0.665 nan 8.190 nan 0.000 0.432 1008 P HA 0.336 nan 4.420 nan 0.000 0.288 1008 P C -0.561 176.788 177.300 0.080 0.000 1.267 1008 P CA -0.240 63.031 63.100 0.284 0.000 0.815 1008 P CB 1.357 33.271 31.700 0.356 0.000 0.989 1009 D N 1.076 121.475 120.400 -0.002 0.000 2.269 1009 D HA 0.027 4.669 4.640 0.004 0.000 0.208 1009 D C 0.303 176.555 176.300 -0.080 0.000 0.963 1009 D CA 1.406 55.383 54.000 -0.039 0.000 0.864 1009 D CB 0.142 40.907 40.800 -0.057 0.000 0.936 1009 D HN 0.163 nan 8.370 nan 0.000 0.505 1010 L N 0.470 121.635 121.223 -0.098 0.000 2.543 1010 L HA 0.360 4.703 4.340 0.004 0.000 0.265 1010 L C -1.469 175.340 176.870 -0.102 0.000 0.945 1010 L CA -0.450 54.288 54.840 -0.169 0.000 0.869 1010 L CB 2.075 43.933 42.059 -0.335 0.000 1.294 1010 L HN -0.245 nan 8.230 nan 0.000 0.405 1011 I N 5.427 125.947 120.570 -0.083 0.000 2.404 1011 I HA 0.607 4.779 4.170 0.004 0.000 0.293 1011 I C -0.416 175.695 176.117 -0.011 0.000 0.992 1011 I CA -0.637 60.652 61.300 -0.019 0.000 1.149 1011 I CB 1.637 39.636 38.000 -0.002 0.000 1.315 1011 I HN 0.478 nan 8.210 nan 0.000 0.446 1012 I N 1.893 122.483 120.570 0.033 0.000 2.608 1012 I HA 0.547 4.720 4.170 0.004 0.000 0.295 1012 I C -0.314 175.839 176.117 0.060 0.000 1.049 1012 I CA -0.920 60.413 61.300 0.054 0.000 1.063 1012 I CB 1.623 39.678 38.000 0.093 0.000 1.248 1012 I HN 0.393 nan 8.210 nan 0.000 0.424 1013 N N 5.364 124.102 118.700 0.063 0.000 2.458 1013 N HA 0.182 4.925 4.740 0.004 0.000 0.258 1013 N C -1.885 173.620 175.510 -0.009 0.000 1.219 1013 N CA -1.738 51.345 53.050 0.055 0.000 0.902 1013 N CB 0.921 39.476 38.487 0.114 0.000 1.076 1013 N HN 0.432 nan 8.380 nan 0.000 0.455 1014 P HA -0.007 nan 4.420 nan 0.000 0.244 1014 P C 0.267 177.422 177.300 -0.241 0.000 1.211 1014 P CA 0.766 63.764 63.100 -0.170 0.000 0.760 1014 P CB 0.032 31.612 31.700 -0.199 0.000 0.961 1015 H N -1.028 118.042 119.070 -0.000 0.000 2.544 1015 H HA 0.282 4.840 4.556 0.004 0.000 0.269 1015 H C 1.441 176.760 175.328 -0.015 0.000 0.970 1015 H CA 0.494 56.538 56.048 -0.007 0.000 1.219 1015 H CB 0.027 29.788 29.762 -0.002 0.000 1.421 1015 H HN 0.070 nan 8.280 nan 0.000 0.555 1016 A N 0.820 123.683 122.820 0.072 0.000 2.359 1016 A HA 0.154 4.476 4.320 0.004 0.000 0.240 1016 A C 1.408 178.979 177.584 -0.022 0.000 1.306 1016 A CA 0.131 52.184 52.037 0.027 0.000 0.898 1016 A CB -0.425 18.588 19.000 0.021 0.000 0.956 1016 A HN 0.174 nan 8.150 nan 0.000 0.497 1017 I N -1.117 119.435 120.570 -0.030 0.000 4.471 1017 I HA 0.073 4.245 4.170 0.004 0.000 0.326 1017 I C -1.255 174.837 176.117 -0.042 0.000 1.300 1017 I CA 0.311 61.571 61.300 -0.067 0.000 1.237 1017 I CB -0.977 36.953 38.000 -0.117 0.000 1.195 1017 I HN 0.111 nan 8.210 nan 0.000 0.427 1018 P HA 0.058 nan 4.420 nan 0.000 0.238 1018 P C 1.237 178.542 177.300 0.008 0.000 1.183 1018 P CA 0.813 63.910 63.100 -0.006 0.000 0.813 1018 P CB 0.206 31.911 31.700 0.009 0.000 0.944 1019 S N -0.022 115.689 115.700 0.018 0.000 2.574 1019 S HA 0.173 4.645 4.470 0.004 0.000 0.242 1019 S C 1.028 175.643 174.600 0.025 0.000 0.982 1019 S CA -0.613 57.600 58.200 0.022 0.000 0.977 1019 S CB -0.511 62.703 63.200 0.023 0.000 0.814 1019 S HN 0.114 nan 8.310 nan 0.000 0.464 1020 R N 0.235 120.749 120.500 0.024 0.000 2.549 1020 R HA 0.383 4.726 4.340 0.004 0.000 0.361 1020 R C 0.366 176.692 176.300 0.044 0.000 0.969 1020 R CA -0.186 55.940 56.100 0.043 0.000 1.158 1020 R CB -0.878 29.450 30.300 0.045 0.000 1.456 1020 R HN 0.402 nan 8.270 nan 0.000 0.540 1021 M N 1.764 121.378 119.600 0.022 0.000 2.199 1021 M HA -0.187 4.295 4.480 0.004 0.000 0.197 1021 M C 0.311 176.621 176.300 0.017 0.000 0.295 1021 M CA 1.473 56.780 55.300 0.013 0.000 0.384 1021 M CB -1.770 30.844 32.600 0.023 0.000 1.159 1021 M HN 0.231 nan 8.290 nan 0.000 0.932 1022 T N -0.044 114.516 114.554 0.010 0.000 4.282 1022 T HA 0.321 4.674 4.350 0.004 0.000 0.231 1022 T C 1.005 175.673 174.700 -0.054 0.000 1.004 1022 T CA -0.052 62.052 62.100 0.007 0.000 1.146 1022 T CB -0.163 68.728 68.868 0.039 0.000 1.285 1022 T HN 0.330 nan 8.240 nan 0.000 0.971 1023 V N 3.559 123.448 119.914 -0.042 0.000 3.052 1023 V HA 0.096 4.218 4.120 0.004 0.000 0.254 1023 V C 2.747 178.774 176.094 -0.112 0.000 1.100 1023 V CA 1.131 63.391 62.300 -0.068 0.000 1.112 1023 V CB -0.917 30.889 31.823 -0.028 0.000 0.738 1023 V HN 0.849 nan 8.190 nan 0.000 0.469 1024 A N -0.060 122.690 122.820 -0.116 0.000 1.865 1024 A HA -0.321 4.002 4.320 0.004 0.000 0.217 1024 A C 2.185 179.629 177.584 -0.234 0.000 1.191 1024 A CA 2.191 54.157 52.037 -0.120 0.000 0.623 1024 A CB -1.000 18.016 19.000 0.028 0.000 0.826 1024 A HN 0.613 nan 8.150 nan 0.000 0.444 1025 H N 0.384 118.994 119.070 -0.767 0.000 2.278 1025 H HA -0.215 4.343 4.556 0.004 0.000 0.287 1025 H C 1.933 177.242 175.328 -0.031 0.000 1.107 1025 H CA 2.503 58.324 56.048 -0.380 0.000 1.192 1025 H CB -0.552 29.055 29.762 -0.259 0.000 1.346 1025 H HN 0.433 nan 8.280 nan 0.000 0.478 1026 L N -0.149 121.172 121.223 0.165 0.000 2.127 1026 L HA -0.189 4.154 4.340 0.004 0.000 0.211 1026 L C 2.874 179.823 176.870 0.132 0.000 1.089 1026 L CA 1.128 56.051 54.840 0.138 0.000 0.757 1026 L CB -0.418 41.528 42.059 -0.189 0.000 0.899 1026 L HN 0.231 nan 8.230 nan 0.000 0.434 1027 I N -0.003 120.527 120.570 -0.065 0.000 2.206 1027 I HA -0.248 3.925 4.170 0.004 0.000 0.239 1027 I C 2.596 178.703 176.117 -0.016 0.000 1.078 1027 I CA 1.192 62.370 61.300 -0.203 0.000 1.367 1027 I CB -0.432 37.141 38.000 -0.711 0.000 1.078 1027 I HN 0.251 nan 8.210 nan 0.000 0.413 1028 E N 0.973 121.250 120.200 0.129 0.000 2.132 1028 E HA -0.407 3.946 4.350 0.004 0.000 0.218 1028 E C 2.286 178.964 176.600 0.131 0.000 1.058 1028 E CA 2.758 59.309 56.400 0.251 0.000 0.882 1028 E CB -0.695 29.149 29.700 0.240 0.000 0.774 1028 E HN 0.555 nan 8.360 nan 0.000 0.467 1029 C N -0.219 119.146 119.300 0.108 0.000 2.359 1029 C HA -0.198 4.264 4.460 0.004 0.000 0.277 1029 C C 2.751 177.695 174.990 -0.076 0.000 1.192 1029 C CA 1.408 60.429 59.018 0.006 0.000 1.759 1029 C CB -1.451 26.317 27.740 0.047 0.000 2.038 1029 C HN 0.742 nan 8.230 nan 0.000 0.448 1030 L N 0.650 121.876 121.223 0.005 0.000 2.081 1030 L HA -0.111 4.231 4.340 0.004 0.000 0.212 1030 L C 2.191 179.034 176.870 -0.045 0.000 1.080 1030 L CA 2.254 57.076 54.840 -0.030 0.000 0.754 1030 L CB -0.838 41.265 42.059 0.074 0.000 0.893 1030 L HN 0.540 nan 8.230 nan 0.000 0.433 1031 L N -1.527 119.702 121.223 0.010 0.000 2.072 1031 L HA -0.082 4.260 4.340 0.004 0.000 0.205 1031 L C 2.379 179.241 176.870 -0.014 0.000 1.079 1031 L CA 1.959 56.818 54.840 0.032 0.000 0.752 1031 L CB -0.804 41.357 42.059 0.170 0.000 0.906 1031 L HN 0.218 nan 8.230 nan 0.000 0.436 1032 S N -0.393 115.300 115.700 -0.012 0.000 2.419 1032 S HA -0.180 4.292 4.470 0.004 0.000 0.233 1032 S C 1.927 176.466 174.600 -0.101 0.000 1.016 1032 S CA 1.250 59.426 58.200 -0.040 0.000 0.974 1032 S CB -0.320 62.873 63.200 -0.011 0.000 0.786 1032 S HN 0.449 nan 8.310 nan 0.000 0.492 1033 K N 1.079 121.388 120.400 -0.152 0.000 2.025 1033 K HA -0.040 4.282 4.320 0.004 0.000 0.207 1033 K C 1.872 178.354 176.600 -0.196 0.000 1.049 1033 K CA 1.174 57.331 56.287 -0.217 0.000 0.933 1033 K CB -0.166 32.160 32.500 -0.290 0.000 0.714 1033 K HN 0.174 nan 8.250 nan 0.000 0.438 1034 V N 1.194 121.003 119.914 -0.175 0.000 2.548 1034 V HA -0.179 3.944 4.120 0.004 0.000 0.249 1034 V C 2.334 178.329 176.094 -0.166 0.000 1.055 1034 V CA 1.707 63.879 62.300 -0.214 0.000 1.065 1034 V CB -0.327 31.367 31.823 -0.215 0.000 0.681 1034 V HN 0.441 nan 8.190 nan 0.000 0.462 1035 A N 0.326 123.083 122.820 -0.105 0.000 1.858 1035 A HA -0.138 4.184 4.320 0.004 0.000 0.216 1035 A C 2.455 180.008 177.584 -0.052 0.000 1.190 1035 A CA 2.088 54.084 52.037 -0.069 0.000 0.617 1035 A CB -0.947 18.021 19.000 -0.053 0.000 0.827 1035 A HN 0.557 nan 8.150 nan 0.000 0.443 1036 A N -0.603 122.180 122.820 -0.062 0.000 1.978 1036 A HA -0.054 4.269 4.320 0.004 0.000 0.220 1036 A C 2.196 179.770 177.584 -0.017 0.000 1.170 1036 A CA 1.618 53.627 52.037 -0.046 0.000 0.636 1036 A CB -0.546 18.413 19.000 -0.069 0.000 0.810 1036 A HN 0.487 nan 8.150 nan 0.000 0.448 1037 L N -0.167 121.047 121.223 -0.016 0.000 2.034 1037 L HA -0.131 4.211 4.340 0.004 0.000 0.203 1037 L C 3.079 180.048 176.870 0.164 0.000 1.074 1037 L CA 1.548 56.439 54.840 0.085 0.000 0.748 1037 L CB -0.546 41.597 42.059 0.141 0.000 0.905 1037 L HN 0.566 nan 8.230 nan 0.000 0.439 1038 S N -0.290 115.493 115.700 0.139 0.000 2.419 1038 S HA -0.052 4.420 4.470 0.004 0.000 0.233 1038 S C 1.570 176.235 174.600 0.108 0.000 1.016 1038 S CA 0.735 59.071 58.200 0.226 0.000 0.974 1038 S CB -0.328 62.901 63.200 0.047 0.000 0.786 1038 S HN 0.614 nan 8.310 nan 0.000 0.492 1039 G N 1.690 110.518 108.800 0.048 0.000 2.142 1039 G HA2 -0.188 3.774 3.960 0.004 0.000 0.225 1039 G HA3 -0.188 3.774 3.960 0.004 0.000 0.225 1039 G C -0.249 174.655 174.900 0.006 0.000 1.015 1039 G CA 0.048 45.162 45.100 0.023 0.000 0.716 1039 G HN 0.661 nan 8.290 nan 0.000 0.508 1040 N N -0.343 118.354 118.700 -0.005 0.000 2.653 1040 N HA 0.495 5.238 4.740 0.004 0.000 0.294 1040 N C -0.573 174.916 175.510 -0.035 0.000 1.305 1040 N CA -0.847 52.192 53.050 -0.018 0.000 0.827 1040 N CB 1.276 39.754 38.487 -0.015 0.000 1.415 1040 N HN 0.331 nan 8.380 nan 0.000 0.546 1041 E N -0.308 119.864 120.200 -0.047 0.000 2.313 1041 E HA 0.358 4.710 4.350 0.004 0.000 0.272 1041 E C -0.238 176.323 176.600 -0.065 0.000 1.038 1041 E CA -0.671 55.691 56.400 -0.063 0.000 0.863 1041 E CB 0.831 30.483 29.700 -0.081 0.000 1.060 1041 E HN 0.626 nan 8.360 nan 0.000 0.402 1042 G N 2.453 111.211 108.800 -0.070 0.000 2.339 1042 G HA2 0.061 4.023 3.960 0.004 0.000 0.287 1042 G HA3 0.061 4.023 3.960 0.004 0.000 0.287 1042 G C -0.465 174.369 174.900 -0.110 0.000 1.163 1042 G CA -0.418 44.644 45.100 -0.063 0.000 0.872 1042 G HN 0.533 nan 8.290 nan 0.000 0.464 1043 D N 2.202 122.542 120.400 -0.100 0.000 2.619 1043 D HA 0.326 4.968 4.640 0.004 0.000 0.224 1043 D C 1.312 177.457 176.300 -0.257 0.000 1.133 1043 D CA -0.280 53.626 54.000 -0.157 0.000 1.017 1043 D CB 0.205 40.941 40.800 -0.106 0.000 1.077 1043 D HN 0.351 nan 8.370 nan 0.000 0.503 1044 A N 1.967 124.510 122.820 -0.462 0.000 2.416 1044 A HA 0.176 4.499 4.320 0.004 0.000 0.252 1044 A C 0.947 178.041 177.584 -0.816 0.000 1.353 1044 A CA -0.374 50.989 52.037 -1.125 0.000 0.996 1044 A CB -0.311 18.070 19.000 -1.031 0.000 0.961 1044 A HN 0.338 nan 8.150 nan 0.000 0.523 1045 S N 1.313 116.759 115.700 -0.423 0.000 2.568 1045 S HA 0.185 4.658 4.470 0.004 0.000 0.282 1045 S C -1.352 173.152 174.600 -0.160 0.000 1.338 1045 S CA -0.680 57.383 58.200 -0.228 0.000 1.045 1045 S CB 0.760 63.877 63.200 -0.137 0.000 0.873 1045 S HN 0.325 nan 8.310 nan 0.000 0.516 1046 P HA -0.042 nan 4.420 nan 0.000 0.208 1046 P C -0.139 176.944 177.300 -0.361 0.000 1.195 1046 P CA 1.087 63.975 63.100 -0.355 0.000 0.927 1046 P CB 0.039 31.393 31.700 -0.577 0.000 0.778 1047 F N 0.330 120.415 119.950 0.224 0.000 2.451 1047 F HA 0.292 4.821 4.527 0.004 0.000 0.356 1047 F C 1.047 176.982 175.800 0.225 0.000 1.178 1047 F CA -0.236 57.874 58.000 0.183 0.000 1.210 1047 F CB -0.886 38.172 39.000 0.098 0.000 1.504 1047 F HN -0.051 nan 8.300 nan 0.000 0.598 1048 T N -2.976 111.754 114.554 0.293 0.000 2.693 1048 T HA 0.385 4.737 4.350 0.004 0.000 0.278 1048 T C -0.144 174.689 174.700 0.222 0.000 0.994 1048 T CA -0.801 61.455 62.100 0.259 0.000 1.033 1048 T CB 1.931 70.929 68.868 0.216 0.000 1.342 1048 T HN 0.090 nan 8.240 nan 0.000 0.538 1049 D N -0.129 120.384 120.400 0.188 0.000 2.538 1049 D HA 0.378 5.020 4.640 0.004 0.000 0.231 1049 D C -0.279 176.110 176.300 0.149 0.000 1.229 1049 D CA -0.216 53.878 54.000 0.157 0.000 0.828 1049 D CB -0.006 40.870 40.800 0.127 0.000 1.035 1049 D HN 0.440 nan 8.370 nan 0.000 0.495 1050 I N 1.579 122.262 120.570 0.189 0.000 2.436 1050 I HA 0.029 4.202 4.170 0.004 0.000 0.289 1050 I C 0.282 176.487 176.117 0.147 0.000 1.083 1050 I CA 0.529 61.940 61.300 0.185 0.000 1.372 1050 I CB 0.683 38.831 38.000 0.248 0.000 1.408 1050 I HN -0.183 nan 8.210 nan 0.000 0.516 1051 T N 4.750 119.346 114.554 0.070 0.000 2.888 1051 T HA 0.205 4.558 4.350 0.004 0.000 0.284 1051 T C 1.137 175.806 174.700 -0.051 0.000 1.017 1051 T CA -0.780 61.328 62.100 0.014 0.000 1.022 1051 T CB 2.224 71.114 68.868 0.037 0.000 1.013 1051 T HN 0.228 nan 8.240 nan 0.000 0.465 1052 V N 1.337 121.185 119.914 -0.111 0.000 2.688 1052 V HA -0.142 3.981 4.120 0.004 0.000 0.256 1052 V C 2.418 178.492 176.094 -0.033 0.000 1.084 1052 V CA 1.717 63.952 62.300 -0.109 0.000 1.103 1052 V CB -0.624 31.121 31.823 -0.131 0.000 0.688 1052 V HN 0.795 nan 8.190 nan 0.000 0.480 1053 E N 0.311 120.505 120.200 -0.009 0.000 2.033 1053 E HA -0.082 4.270 4.350 0.004 0.000 0.189 1053 E C 2.380 178.994 176.600 0.022 0.000 0.979 1053 E CA 1.322 57.731 56.400 0.015 0.000 0.802 1053 E CB -0.711 29.003 29.700 0.023 0.000 0.763 1053 E HN 0.577 nan 8.360 nan 0.000 0.449 1054 G N 2.198 111.013 108.800 0.024 0.000 2.440 1054 G HA2 -0.218 3.745 3.960 0.004 0.000 0.218 1054 G HA3 -0.218 3.745 3.960 0.004 0.000 0.218 1054 G C 1.613 176.525 174.900 0.020 0.000 1.154 1054 G CA 0.603 45.721 45.100 0.029 0.000 0.767 1054 G HN 0.113 nan 8.290 nan 0.000 0.552 1055 I N 1.546 122.121 120.570 0.009 0.000 2.208 1055 I HA -0.136 4.037 4.170 0.004 0.000 0.245 1055 I C 2.910 179.024 176.117 -0.004 0.000 1.097 1055 I CA 1.274 62.571 61.300 -0.005 0.000 1.363 1055 I CB -1.256 36.733 38.000 -0.019 0.000 1.051 1055 I HN 0.118 nan 8.210 nan 0.000 0.413 1056 S N 0.951 116.659 115.700 0.012 0.000 2.344 1056 S HA -0.185 4.287 4.470 0.004 0.000 0.217 1056 S C 1.904 176.530 174.600 0.044 0.000 1.033 1056 S CA 1.228 59.449 58.200 0.035 0.000 1.017 1056 S CB -0.295 62.934 63.200 0.047 0.000 0.941 1056 S HN 0.373 nan 8.310 nan 0.000 0.430 1057 K N 0.725 121.151 120.400 0.043 0.000 2.207 1057 K HA -0.166 4.156 4.320 0.004 0.000 0.208 1057 K C 1.925 178.559 176.600 0.056 0.000 1.046 1057 K CA 1.148 57.466 56.287 0.051 0.000 0.929 1057 K CB -0.380 32.147 32.500 0.045 0.000 0.720 1057 K HN 0.273 nan 8.250 nan 0.000 0.463 1058 L N -0.124 121.119 121.223 0.032 0.000 2.049 1058 L HA -0.148 4.194 4.340 0.004 0.000 0.203 1058 L C 2.200 179.068 176.870 -0.004 0.000 1.074 1058 L CA 0.508 55.352 54.840 0.006 0.000 0.749 1058 L CB -0.196 41.833 42.059 -0.051 0.000 0.907 1058 L HN 0.152 nan 8.230 nan 0.000 0.439 1059 L N -0.332 120.885 121.223 -0.010 0.000 2.201 1059 L HA -0.170 4.172 4.340 0.004 0.000 0.212 1059 L C 2.570 179.542 176.870 0.170 0.000 1.105 1059 L CA 1.416 56.276 54.840 0.034 0.000 0.775 1059 L CB -0.529 41.535 42.059 0.008 0.000 0.913 1059 L HN 0.097 nan 8.230 nan 0.000 0.440 1060 R N 0.466 121.050 120.500 0.140 0.000 2.062 1060 R HA -0.161 4.182 4.340 0.004 0.000 0.231 1060 R C 2.163 178.564 176.300 0.168 0.000 1.136 1060 R CA 1.789 57.978 56.100 0.149 0.000 0.948 1060 R CB -0.739 29.625 30.300 0.106 0.000 0.845 1060 R HN 0.489 nan 8.270 nan 0.000 0.430 1061 E N -0.961 119.343 120.200 0.173 0.000 2.339 1061 E HA -0.215 4.137 4.350 0.004 0.000 0.201 1061 E C 0.875 177.608 176.600 0.222 0.000 1.015 1061 E CA 1.108 57.621 56.400 0.190 0.000 0.841 1061 E CB -0.071 29.764 29.700 0.225 0.000 0.754 1061 E HN 0.537 nan 8.360 nan 0.000 0.508 1062 H N -2.652 116.481 119.070 0.106 0.000 2.755 1062 H HA 0.166 4.725 4.556 0.004 0.000 0.273 1062 H C 1.143 176.599 175.328 0.213 0.000 1.055 1062 H CA 0.444 56.580 56.048 0.147 0.000 1.191 1062 H CB 1.515 31.367 29.762 0.150 0.000 1.536 1062 H HN 0.326 nan 8.280 nan 0.000 0.529 1063 G N 0.612 109.556 108.800 0.239 0.000 2.259 1063 G HA2 -0.247 3.716 3.960 0.004 0.000 0.217 1063 G HA3 -0.247 3.716 3.960 0.004 0.000 0.217 1063 G C -0.385 174.526 174.900 0.018 0.000 1.001 1063 G CA -0.266 44.878 45.100 0.073 0.000 0.627 1063 G HN 0.227 nan 8.290 nan 0.000 0.501 1064 Y N 0.980 121.340 120.300 0.099 0.000 2.432 1064 Y HA 0.649 5.201 4.550 0.004 0.000 0.322 1064 Y C 0.735 176.693 175.900 0.097 0.000 1.246 1064 Y CA -0.802 57.354 58.100 0.095 0.000 1.268 1064 Y CB 0.610 39.127 38.460 0.096 0.000 1.276 1064 Y HN 0.284 nan 8.280 nan 0.000 0.499 1065 Q N 0.993 120.964 119.800 0.286 0.000 2.263 1065 Q HA 0.074 4.416 4.340 0.004 0.000 0.289 1065 Q C 0.323 176.462 176.000 0.232 0.000 1.061 1065 Q CA 0.315 56.255 55.803 0.227 0.000 0.927 1065 Q CB 0.691 29.574 28.738 0.243 0.000 1.154 1065 Q HN 0.658 nan 8.270 nan 0.000 0.378 1066 S N 4.568 120.378 115.700 0.183 0.000 3.120 1066 S HA 0.152 4.625 4.470 0.004 0.000 0.259 1066 S C 0.019 174.718 174.600 0.165 0.000 1.191 1066 S CA -0.390 57.899 58.200 0.149 0.000 1.257 1066 S CB -0.040 63.227 63.200 0.112 0.000 0.964 1066 S HN 0.701 nan 8.310 nan 0.000 0.473 1067 R N -0.436 120.205 120.500 0.235 0.000 2.496 1067 R HA 0.271 4.613 4.340 0.004 0.000 0.369 1067 R C 1.206 177.661 176.300 0.259 0.000 0.896 1067 R CA 0.335 56.596 56.100 0.269 0.000 1.147 1067 R CB -0.014 30.540 30.300 0.424 0.000 1.697 1067 R HN 0.650 nan 8.270 nan 0.000 0.518 1068 G N 1.245 110.134 108.800 0.149 0.000 2.141 1068 G HA2 -0.286 3.677 3.960 0.004 0.000 0.242 1068 G HA3 -0.286 3.677 3.960 0.004 0.000 0.242 1068 G C -0.062 174.793 174.900 -0.076 0.000 0.982 1068 G CA -0.119 44.935 45.100 -0.077 0.000 0.662 1068 G HN 0.195 nan 8.290 nan 0.000 0.527 1069 F N 0.496 120.571 119.950 0.207 0.000 2.377 1069 F HA 0.690 5.220 4.527 0.004 0.000 0.328 1069 F C 0.889 176.775 175.800 0.144 0.000 1.094 1069 F CA -0.169 57.938 58.000 0.179 0.000 1.093 1069 F CB 1.338 40.421 39.000 0.138 0.000 1.214 1069 F HN 0.033 nan 8.300 nan 0.000 0.518 1070 E N 1.109 121.491 120.200 0.304 0.000 2.531 1070 E HA 0.171 4.523 4.350 0.004 0.000 0.323 1070 E C -1.560 175.059 176.600 0.031 0.000 0.908 1070 E CA -0.453 56.051 56.400 0.173 0.000 0.792 1070 E CB 1.881 31.696 29.700 0.192 0.000 1.360 1070 E HN 0.284 nan 8.360 nan 0.000 0.394 1071 V N 4.351 124.251 119.914 -0.023 0.000 2.506 1071 V HA -0.048 4.075 4.120 0.004 0.000 0.296 1071 V C 0.668 176.578 176.094 -0.307 0.000 1.004 1071 V CA 0.973 63.163 62.300 -0.182 0.000 1.150 1071 V CB -0.509 31.176 31.823 -0.229 0.000 0.911 1071 V HN 0.642 nan 8.190 nan 0.000 0.476 1072 M N 4.535 123.906 119.600 -0.383 0.000 2.706 1072 M HA 0.595 5.077 4.480 0.004 0.000 0.304 1072 M C -1.259 174.642 176.300 -0.666 0.000 1.217 1072 M CA -0.624 54.412 55.300 -0.440 0.000 0.922 1072 M CB 2.238 34.627 32.600 -0.351 0.000 1.637 1072 M HN 0.532 nan 8.290 nan 0.000 0.492 1073 Y N 0.127 120.037 120.300 -0.650 0.000 2.361 1073 Y HA 0.276 4.828 4.550 0.004 0.000 0.337 1073 Y C 0.158 175.816 175.900 -0.403 0.000 0.965 1073 Y CA -1.269 56.457 58.100 -0.624 0.000 1.091 1073 Y CB 0.841 38.706 38.460 -0.991 0.000 1.182 1073 Y HN 0.568 nan 8.280 nan 0.000 0.450 1074 N N 1.697 120.392 118.700 -0.008 0.000 2.411 1074 N HA -0.061 4.682 4.740 0.004 0.000 0.261 1074 N C 1.198 176.830 175.510 0.204 0.000 1.248 1074 N CA 1.081 54.181 53.050 0.082 0.000 0.885 1074 N CB 1.485 39.958 38.487 -0.024 0.000 1.062 1074 N HN 1.038 nan 8.380 nan 0.000 0.471 1075 G N 3.483 112.458 108.800 0.292 0.000 2.513 1075 G HA2 -0.297 3.665 3.960 0.004 0.000 0.219 1075 G HA3 -0.297 3.665 3.960 0.004 0.000 0.219 1075 G C 1.037 176.142 174.900 0.341 0.000 1.160 1075 G CA 0.971 46.294 45.100 0.372 0.000 0.767 1075 G HN 0.780 nan 8.290 nan 0.000 0.571 1076 H N -0.092 119.053 119.070 0.126 0.000 2.389 1076 H HA 0.055 4.614 4.556 0.004 0.000 0.299 1076 H C 2.612 177.978 175.328 0.063 0.000 1.081 1076 H CA 1.613 57.692 56.048 0.051 0.000 1.345 1076 H CB -0.683 29.075 29.762 -0.007 0.000 1.393 1076 H HN 0.342 nan 8.280 nan 0.000 0.520 1077 T N -2.087 112.584 114.554 0.195 0.000 3.071 1077 T HA 0.309 4.661 4.350 0.004 0.000 0.239 1077 T C 1.678 176.468 174.700 0.151 0.000 0.997 1077 T CA 0.964 63.145 62.100 0.135 0.000 1.134 1077 T CB 0.281 69.200 68.868 0.085 0.000 0.928 1077 T HN 0.558 nan 8.240 nan 0.000 0.453 1078 G N 1.744 110.670 108.800 0.209 0.000 2.176 1078 G HA2 -0.218 3.745 3.960 0.004 0.000 0.232 1078 G HA3 -0.218 3.745 3.960 0.004 0.000 0.232 1078 G C 0.137 175.167 174.900 0.217 0.000 0.986 1078 G CA 0.047 45.300 45.100 0.256 0.000 0.643 1078 G HN 0.529 nan 8.290 nan 0.000 0.522 1079 K N 1.654 122.140 120.400 0.142 0.000 2.310 1079 K HA 0.358 4.680 4.320 0.004 0.000 0.290 1079 K C 0.744 177.367 176.600 0.039 0.000 1.077 1079 K CA -0.572 55.774 56.287 0.098 0.000 0.922 1079 K CB 0.135 32.661 32.500 0.044 0.000 1.057 1079 K HN 0.242 nan 8.250 nan 0.000 0.479 1080 K N 3.400 123.814 120.400 0.024 0.000 2.539 1080 K HA -0.168 4.154 4.320 0.004 0.000 0.271 1080 K C 0.014 176.480 176.600 -0.223 0.000 1.004 1080 K CA 0.473 56.577 56.287 -0.305 0.000 1.117 1080 K CB 0.185 32.521 32.500 -0.272 0.000 0.815 1080 K HN 0.551 nan 8.250 nan 0.000 0.481 1081 L N 4.457 125.509 121.223 -0.284 0.000 2.410 1081 L HA -0.024 4.318 4.340 0.004 0.000 0.273 1081 L C 1.804 178.585 176.870 -0.149 0.000 1.152 1081 L CA -0.260 54.480 54.840 -0.166 0.000 0.855 1081 L CB 0.639 42.617 42.059 -0.135 0.000 1.129 1081 L HN 0.700 nan 8.230 nan 0.000 0.463 1082 M N 2.188 121.731 119.600 -0.095 0.000 2.229 1082 M HA -0.001 4.481 4.480 0.004 0.000 0.264 1082 M C 0.758 177.015 176.300 -0.071 0.000 1.063 1082 M CA 0.793 56.047 55.300 -0.078 0.000 1.114 1082 M CB -0.356 32.211 32.600 -0.055 0.000 1.387 1082 M HN 0.684 nan 8.290 nan 0.000 0.420 1083 A N 0.703 123.491 122.820 -0.054 0.000 2.312 1083 A HA 0.511 4.834 4.320 0.004 0.000 0.326 1083 A C -0.376 177.197 177.584 -0.019 0.000 1.172 1083 A CA -0.610 51.407 52.037 -0.033 0.000 0.821 1083 A CB 0.601 19.601 19.000 0.001 0.000 1.166 1083 A HN 0.352 nan 8.150 nan 0.000 0.493 1084 Q N 0.528 120.331 119.800 0.004 0.000 2.260 1084 Q HA 0.636 4.979 4.340 0.004 0.000 0.238 1084 Q C -0.589 175.593 176.000 0.303 0.000 0.948 1084 Q CA 0.183 56.044 55.803 0.096 0.000 0.895 1084 Q CB 1.174 29.970 28.738 0.097 0.000 1.218 1084 Q HN 0.649 nan 8.270 nan 0.000 0.470 1085 I N 0.975 121.699 120.570 0.256 0.000 2.493 1085 I HA 0.304 4.476 4.170 0.004 0.000 0.298 1085 I C -0.670 175.565 176.117 0.197 0.000 0.998 1085 I CA -1.030 60.396 61.300 0.210 0.000 1.137 1085 I CB 1.033 39.059 38.000 0.043 0.000 1.310 1085 I HN 0.493 nan 8.210 nan 0.000 0.445 1086 F N 6.304 126.181 119.950 -0.122 0.000 2.467 1086 F HA 0.343 4.872 4.527 0.004 0.000 0.362 1086 F C -0.832 175.005 175.800 0.062 0.000 1.090 1086 F CA -0.163 57.679 58.000 -0.264 0.000 1.202 1086 F CB 0.263 39.066 39.000 -0.328 0.000 1.113 1086 F HN 0.204 nan 8.300 nan 0.000 0.541 1087 F N 5.248 124.848 119.950 -0.583 0.000 2.915 1087 F HA 0.607 5.136 4.527 0.004 0.000 0.350 1087 F C -0.548 174.988 175.800 -0.440 0.000 1.248 1087 F CA -0.634 57.146 58.000 -0.367 0.000 1.084 1087 F CB 1.036 39.939 39.000 -0.162 0.000 1.391 1087 F HN 0.604 nan 8.300 nan 0.000 0.548 1088 G N 4.094 112.474 108.800 -0.700 0.000 2.727 1088 G HA2 0.680 4.643 3.960 0.004 0.000 0.289 1088 G HA3 0.680 4.643 3.960 0.004 0.000 0.289 1088 G C -3.459 171.159 174.900 -0.470 0.000 1.418 1088 G CA -1.760 42.987 45.100 -0.589 0.000 0.818 1088 G HN 0.195 nan 8.290 nan 0.000 0.486 1089 P HA 0.429 nan 4.420 nan 0.000 0.280 1089 P C -0.787 176.471 177.300 -0.069 0.000 1.244 1089 P CA -0.057 62.938 63.100 -0.175 0.000 0.784 1089 P CB 1.440 33.063 31.700 -0.128 0.000 0.913 1090 T N 2.490 117.062 114.554 0.031 0.000 3.170 1090 T HA 0.155 4.508 4.350 0.004 0.000 0.315 1090 T C -0.969 173.887 174.700 0.260 0.000 0.967 1090 T CA -0.331 61.850 62.100 0.135 0.000 1.024 1090 T CB -0.049 68.930 68.868 0.184 0.000 1.018 1090 T HN 0.163 nan 8.240 nan 0.000 0.449 1091 Y N 3.386 123.744 120.300 0.097 0.000 2.802 1091 Y HA 0.226 4.778 4.550 0.004 0.000 0.333 1091 Y C -0.765 175.233 175.900 0.162 0.000 1.244 1091 Y CA 0.312 58.490 58.100 0.130 0.000 1.558 1091 Y CB 0.076 38.581 38.460 0.075 0.000 1.233 1091 Y HN 0.620 nan 8.280 nan 0.000 0.547 1092 Y N 5.576 125.721 120.300 -0.258 0.000 2.354 1092 Y HA 0.268 4.820 4.550 0.004 0.000 0.330 1092 Y C -0.630 175.239 175.900 -0.051 0.000 1.011 1092 Y CA -0.922 57.153 58.100 -0.042 0.000 1.099 1092 Y CB 1.229 39.756 38.460 0.111 0.000 1.179 1092 Y HN 0.572 nan 8.280 nan 0.000 0.442 1093 Q N 3.793 123.612 119.800 0.033 0.000 2.248 1093 Q HA 0.531 4.874 4.340 0.004 0.000 0.263 1093 Q C -1.009 174.956 176.000 -0.057 0.000 1.007 1093 Q CA -1.327 54.510 55.803 0.056 0.000 0.877 1093 Q CB 2.602 31.387 28.738 0.079 0.000 1.315 1093 Q HN 0.722 nan 8.270 nan 0.000 0.454 1094 R N 2.324 122.753 120.500 -0.119 0.000 2.272 1094 R HA 0.382 4.724 4.340 0.004 0.000 0.323 1094 R C -0.781 175.324 176.300 -0.325 0.000 1.002 1094 R CA -0.334 55.480 56.100 -0.475 0.000 0.900 1094 R CB 0.232 30.252 30.300 -0.467 0.000 1.151 1094 R HN 0.660 nan 8.270 nan 0.000 0.507 1095 L N 3.622 124.650 121.223 -0.325 0.000 2.472 1095 L HA 0.376 4.718 4.340 0.004 0.000 0.260 1095 L C 1.021 177.769 176.870 -0.203 0.000 1.209 1095 L CA -0.805 53.939 54.840 -0.160 0.000 0.817 1095 L CB 0.295 42.307 42.059 -0.078 0.000 1.106 1095 L HN 0.650 nan 8.230 nan 0.000 0.479 1096 R N -0.433 119.907 120.500 -0.266 0.000 3.038 1096 R HA 0.221 4.563 4.340 0.004 0.000 0.263 1096 R C -0.655 175.348 176.300 -0.494 0.000 1.208 1096 R CA -0.573 55.303 56.100 -0.373 0.000 1.116 1096 R CB -0.159 29.740 30.300 -0.669 0.000 1.045 1096 R HN 0.720 nan 8.270 nan 0.000 0.549 1097 H N -1.503 117.494 119.070 -0.122 0.000 3.302 1097 H HA -0.116 4.442 4.556 0.004 0.000 0.341 1097 H C -1.079 174.187 175.328 -0.103 0.000 1.049 1097 H CA 0.784 56.769 56.048 -0.105 0.000 1.073 1097 H CB -1.705 28.000 29.762 -0.094 0.000 1.565 1097 H HN 0.524 nan 8.280 nan 0.000 0.375 1098 M N 1.730 121.315 119.600 -0.025 0.000 2.528 1098 M HA 0.292 4.774 4.480 0.004 0.000 0.321 1098 M C 2.019 178.306 176.300 -0.022 0.000 1.153 1098 M CA -0.881 54.399 55.300 -0.034 0.000 0.951 1098 M CB 2.315 34.869 32.600 -0.077 0.000 1.705 1098 M HN 0.138 nan 8.290 nan 0.000 0.451 1099 V N -0.989 118.924 119.914 -0.002 0.000 2.250 1099 V HA -0.287 3.836 4.120 0.004 0.000 0.253 1099 V C 1.127 177.212 176.094 -0.014 0.000 1.065 1099 V CA 2.098 64.398 62.300 0.000 0.000 1.039 1099 V CB -0.871 30.957 31.823 0.008 0.000 0.647 1099 V HN 0.884 nan 8.190 nan 0.000 0.446 1100 D N 0.161 120.541 120.400 -0.033 0.000 2.371 1100 D HA -0.056 4.586 4.640 0.004 0.000 0.234 1100 D C 1.071 177.332 176.300 -0.065 0.000 1.049 1100 D CA 0.925 54.899 54.000 -0.043 0.000 0.907 1100 D CB -0.002 40.767 40.800 -0.052 0.000 0.891 1100 D HN 0.555 nan 8.370 nan 0.000 0.531 1101 D N 0.104 120.461 120.400 -0.071 0.000 2.354 1101 D HA -0.016 4.627 4.640 0.004 0.000 0.209 1101 D C 1.836 178.119 176.300 -0.029 0.000 1.015 1101 D CA 0.512 54.468 54.000 -0.074 0.000 0.867 1101 D CB 0.452 41.194 40.800 -0.096 0.000 0.933 1101 D HN 0.167 nan 8.370 nan 0.000 0.520 1102 K N -0.010 120.386 120.400 -0.006 0.000 2.325 1102 K HA 0.122 4.444 4.320 0.004 0.000 0.203 1102 K C 0.593 177.222 176.600 0.048 0.000 1.128 1102 K CA -0.206 56.092 56.287 0.018 0.000 0.931 1102 K CB 0.491 33.000 32.500 0.016 0.000 1.125 1102 K HN -0.021 nan 8.250 nan 0.000 0.487 1103 I N 4.689 125.280 120.570 0.035 0.000 3.076 1103 I HA -0.131 4.041 4.170 0.004 0.000 0.287 1103 I C 0.247 176.424 176.117 0.099 0.000 1.204 1103 I CA 0.688 62.014 61.300 0.044 0.000 1.370 1103 I CB -2.046 35.965 38.000 0.019 0.000 1.444 1103 I HN 0.200 nan 8.210 nan 0.000 0.549 1104 H N 5.500 124.564 119.070 -0.011 0.000 2.637 1104 H HA 0.836 5.394 4.556 0.003 0.000 0.363 1104 H C -1.296 174.029 175.328 -0.004 0.000 1.131 1104 H CA -0.913 55.129 56.048 -0.009 0.000 1.183 1104 H CB 1.835 31.591 29.762 -0.010 0.000 1.637 1104 H HN 0.616 nan 8.280 nan 0.000 0.531 1105 A N 4.926 127.505 122.820 -0.402 0.000 2.427 1105 A HA 0.648 4.970 4.320 0.004 0.000 0.298 1105 A C -1.111 176.310 177.584 -0.272 0.000 1.036 1105 A CA -0.819 50.991 52.037 -0.378 0.000 0.701 1105 A CB 1.266 20.189 19.000 -0.128 0.000 1.250 1105 A HN 0.852 nan 8.150 nan 0.000 0.412 1106 R N 1.333 121.688 120.500 -0.242 0.000 2.686 1106 R HA 0.792 5.135 4.340 0.004 0.000 0.283 1106 R C -1.142 175.136 176.300 -0.037 0.000 0.978 1106 R CA 0.031 56.098 56.100 -0.055 0.000 0.897 1106 R CB 1.979 32.292 30.300 0.020 0.000 1.192 1106 R HN 1.510 nan 8.270 nan 0.000 0.457 1107 A N 4.280 127.095 122.820 -0.008 0.000 2.969 1107 A HA 0.469 4.791 4.320 0.004 0.000 0.303 1107 A C -0.668 176.914 177.584 -0.003 0.000 1.198 1107 A CA -0.324 51.707 52.037 -0.011 0.000 0.819 1107 A CB 0.379 19.371 19.000 -0.013 0.000 1.385 1107 A HN 1.000 nan 8.150 nan 0.000 0.479 1108 R N -0.392 120.106 120.500 -0.003 0.000 1.324 1108 R HA 0.143 4.485 4.340 0.004 0.000 0.434 1108 R C 0.158 176.462 176.300 0.006 0.000 1.325 1108 R CA 1.230 57.329 56.100 -0.002 0.000 1.172 1108 R CB -0.744 29.555 30.300 -0.002 0.000 3.276 1108 R HN 2.630 nan 8.270 nan 0.000 0.517 1109 G N 1.741 110.542 108.800 0.002 0.000 2.345 1109 G HA2 0.273 4.236 3.960 0.004 0.000 0.285 1109 G HA3 0.273 4.236 3.960 0.004 0.000 0.285 1109 G C -2.931 171.965 174.900 -0.007 0.000 1.297 1109 G CA -0.502 44.599 45.100 0.002 0.000 0.875 1109 G HN 0.590 nan 8.290 nan 0.000 0.506 1110 P HA 0.398 nan 4.420 nan 0.000 0.269 1110 P C -0.624 176.661 177.300 -0.025 0.000 1.211 1110 P CA 0.247 63.334 63.100 -0.021 0.000 0.781 1110 P CB 0.457 32.142 31.700 -0.025 0.000 0.877 1111 M N 0.382 119.960 119.600 -0.037 0.000 2.591 1111 M HA 0.276 4.759 4.480 0.004 0.000 0.306 1111 M C 0.467 176.736 176.300 -0.053 0.000 1.190 1111 M CA -0.913 54.357 55.300 -0.051 0.000 0.889 1111 M CB 1.743 34.296 32.600 -0.078 0.000 1.728 1111 M HN 0.358 nan 8.290 nan 0.000 0.458 1112 Q N 0.364 120.134 119.800 -0.051 0.000 2.524 1112 Q HA 0.200 4.543 4.340 0.004 0.000 0.246 1112 Q C 0.937 176.893 176.000 -0.073 0.000 1.063 1112 Q CA -0.190 55.585 55.803 -0.047 0.000 0.945 1112 Q CB 0.803 29.521 28.738 -0.033 0.000 1.292 1112 Q HN 0.540 nan 8.270 nan 0.000 0.518 1113 V N 0.537 120.416 119.914 -0.059 0.000 2.379 1113 V HA -0.190 3.933 4.120 0.004 0.000 0.243 1113 V C 1.956 177.996 176.094 -0.089 0.000 1.035 1113 V CA 0.999 63.253 62.300 -0.076 0.000 1.035 1113 V CB -0.588 31.209 31.823 -0.043 0.000 0.673 1113 V HN 0.598 nan 8.190 nan 0.000 0.457 1114 L N 1.452 122.653 121.223 -0.037 0.000 2.046 1114 L HA -0.130 4.213 4.340 0.004 0.000 0.208 1114 L C 2.245 179.153 176.870 0.064 0.000 1.077 1114 L CA 2.856 57.703 54.840 0.012 0.000 0.747 1114 L CB -0.813 41.257 42.059 0.018 0.000 0.896 1114 L HN 0.597 nan 8.230 nan 0.000 0.432 1115 T N -4.235 110.325 114.554 0.011 0.000 3.010 1115 T HA 0.189 4.542 4.350 0.004 0.000 0.257 1115 T C 0.856 175.520 174.700 -0.061 0.000 1.020 1115 T CA -0.239 61.907 62.100 0.076 0.000 0.938 1115 T CB 0.196 69.090 68.868 0.044 0.000 1.049 1115 T HN 0.234 nan 8.240 nan 0.000 0.522 1116 R N 0.844 121.185 120.500 -0.265 0.000 4.000 1116 R HA -0.160 4.183 4.340 0.004 0.000 0.348 1116 R C -0.249 175.975 176.300 -0.125 0.000 1.204 1116 R CA 0.667 56.592 56.100 -0.291 0.000 0.987 1116 R CB -2.356 27.633 30.300 -0.517 0.000 1.446 1116 R HN 0.608 nan 8.270 nan 0.000 0.555 1117 Q N 0.772 120.532 119.800 -0.067 0.000 2.260 1117 Q HA 0.347 4.689 4.340 0.004 0.000 0.238 1117 Q C -2.166 173.814 176.000 -0.033 0.000 0.948 1117 Q CA -1.866 53.916 55.803 -0.033 0.000 0.895 1117 Q CB 0.891 29.623 28.738 -0.009 0.000 1.218 1117 Q HN -0.060 nan 8.270 nan 0.000 0.470 1118 P HA -0.018 nan 4.420 nan 0.000 0.274 1118 P C -0.796 176.500 177.300 -0.007 0.000 1.237 1118 P CA -0.328 62.765 63.100 -0.012 0.000 0.793 1118 P CB 0.511 32.213 31.700 0.003 0.000 0.977 1119 V N -0.698 119.210 119.914 -0.009 0.000 2.834 1119 V HA 0.325 4.447 4.120 0.004 0.000 0.301 1119 V C 0.161 176.250 176.094 -0.009 0.000 1.066 1119 V CA -0.449 61.843 62.300 -0.013 0.000 1.052 1119 V CB 0.815 32.625 31.823 -0.021 0.000 1.021 1119 V HN 0.484 nan 8.190 nan 0.000 0.480 1120 E N 2.381 122.573 120.200 -0.014 0.000 2.313 1120 E HA 0.550 4.902 4.350 0.004 0.000 0.272 1120 E C 0.199 176.777 176.600 -0.038 0.000 1.038 1120 E CA 0.368 56.759 56.400 -0.014 0.000 0.863 1120 E CB 1.167 30.861 29.700 -0.011 0.000 1.060 1120 E HN 1.791 nan 8.360 nan 0.000 0.402 1121 G N 2.822 111.591 108.800 -0.051 0.000 2.879 1121 G HA2 -0.242 3.720 3.960 0.004 0.000 0.686 1121 G HA3 -0.242 3.720 3.960 0.004 0.000 0.686 1121 G C 0.329 175.106 174.900 -0.205 0.000 1.115 1121 G CA 0.117 45.159 45.100 -0.097 0.000 0.770 1121 G HN 0.785 nan 8.290 nan 0.000 0.601 1122 R N 0.674 120.987 120.500 -0.312 0.000 2.148 1122 R HA -0.025 4.318 4.340 0.004 0.000 0.227 1122 R C 2.616 178.716 176.300 -0.333 0.000 1.103 1122 R CA 2.426 58.162 56.100 -0.606 0.000 0.983 1122 R CB -0.350 29.626 30.300 -0.539 0.000 0.874 1122 R HN 1.116 nan 8.270 nan 0.000 0.451 1123 S N 0.404 115.994 115.700 -0.183 0.000 2.447 1123 S HA -0.058 4.415 4.470 0.004 0.000 0.233 1123 S C 1.273 175.817 174.600 -0.094 0.000 1.006 1123 S CA 0.635 58.768 58.200 -0.111 0.000 0.957 1123 S CB -0.040 63.116 63.200 -0.074 0.000 0.773 1123 S HN 0.455 nan 8.310 nan 0.000 0.507 1124 R N 1.285 121.720 120.500 -0.108 0.000 2.609 1124 R HA 0.308 4.650 4.340 0.004 0.000 0.326 1124 R C -0.304 175.949 176.300 -0.079 0.000 1.090 1124 R CA 0.366 56.419 56.100 -0.079 0.000 1.072 1124 R CB -0.433 29.831 30.300 -0.059 0.000 1.330 1124 R HN 0.388 nan 8.270 nan 0.000 0.572 1125 D N 0.049 120.385 120.400 -0.107 0.000 2.697 1125 D HA -0.162 4.481 4.640 0.004 0.000 0.235 1125 D C 0.398 176.695 176.300 -0.004 0.000 1.167 1125 D CA 1.049 55.021 54.000 -0.047 0.000 0.656 1125 D CB -0.783 40.013 40.800 -0.006 0.000 1.025 1125 D HN 0.452 nan 8.370 nan 0.000 0.419 1126 G N -0.453 108.295 108.800 -0.087 0.000 2.516 1126 G HA2 0.627 4.589 3.960 0.004 0.000 0.276 1126 G HA3 0.627 4.589 3.960 0.004 0.000 0.276 1126 G C 0.506 175.500 174.900 0.158 0.000 1.390 1126 G CA -0.254 44.847 45.100 0.003 0.000 1.050 1126 G HN 0.637 nan 8.290 nan 0.000 0.519 1127 G N -1.771 107.105 108.800 0.126 0.000 2.519 1127 G HA2 0.525 4.487 3.960 0.004 0.000 0.307 1127 G HA3 0.525 4.487 3.960 0.004 0.000 0.307 1127 G C -1.254 173.722 174.900 0.126 0.000 1.266 1127 G CA -0.703 44.480 45.100 0.138 0.000 0.970 1127 G HN 0.460 nan 8.290 nan 0.000 0.481 1128 L N 1.035 122.322 121.223 0.108 0.000 2.331 1128 L HA 0.396 4.738 4.340 0.004 0.000 0.278 1128 L C 1.218 178.141 176.870 0.088 0.000 1.106 1128 L CA -0.386 54.508 54.840 0.089 0.000 0.824 1128 L CB 1.183 43.282 42.059 0.067 0.000 1.142 1128 L HN 0.497 nan 8.230 nan 0.000 0.443 1129 R N 3.100 123.641 120.500 0.069 0.000 2.351 1129 R HA 0.046 4.388 4.340 0.004 0.000 0.318 1129 R C -0.606 175.745 176.300 0.084 0.000 1.055 1129 R CA -0.309 55.836 56.100 0.075 0.000 0.968 1129 R CB 0.086 30.410 30.300 0.041 0.000 0.974 1129 R HN 0.455 nan 8.270 nan 0.000 0.439 1130 F N 5.054 125.008 119.950 0.007 0.000 2.600 1130 F HA 0.230 4.759 4.527 0.004 0.000 0.345 1130 F C 0.785 176.595 175.800 0.017 0.000 1.271 1130 F CA 0.139 58.147 58.000 0.014 0.000 1.138 1130 F CB 0.158 39.156 39.000 -0.003 0.000 1.449 1130 F HN 0.640 nan 8.300 nan 0.000 0.645 1131 G N 4.006 112.714 108.800 -0.154 0.000 2.554 1131 G HA2 -0.031 3.932 3.960 0.004 0.000 0.238 1131 G HA3 -0.031 3.932 3.960 0.004 0.000 0.238 1131 G C 0.864 175.745 174.900 -0.032 0.000 1.259 1131 G CA -0.365 44.696 45.100 -0.065 0.000 0.843 1131 G HN 0.718 nan 8.290 nan 0.000 0.582 1132 E N 0.560 120.771 120.200 0.019 0.000 2.113 1132 E HA -0.298 4.055 4.350 0.004 0.000 0.210 1132 E C 2.242 178.847 176.600 0.008 0.000 1.040 1132 E CA 1.760 58.180 56.400 0.033 0.000 0.847 1132 E CB -0.053 29.661 29.700 0.023 0.000 0.755 1132 E HN 0.631 nan 8.360 nan 0.000 0.459 1133 M N 0.024 119.607 119.600 -0.028 0.000 2.374 1133 M HA -0.163 4.320 4.480 0.004 0.000 0.264 1133 M C 1.151 177.409 176.300 -0.069 0.000 1.067 1133 M CA 1.311 56.589 55.300 -0.037 0.000 1.103 1133 M CB 0.228 32.803 32.600 -0.042 0.000 1.402 1133 M HN -0.067 nan 8.290 nan 0.000 0.444 1134 E N -0.790 119.312 120.200 -0.162 0.000 2.400 1134 E HA -0.010 4.342 4.350 0.004 0.000 0.195 1134 E C 1.775 178.249 176.600 -0.210 0.000 1.012 1134 E CA 0.251 56.470 56.400 -0.303 0.000 0.875 1134 E CB -0.074 29.229 29.700 -0.662 0.000 0.859 1134 E HN 0.315 nan 8.360 nan 0.000 0.498 1135 R N 1.047 121.550 120.500 0.005 0.000 2.115 1135 R HA -0.123 4.219 4.340 0.004 0.000 0.226 1135 R C 0.638 177.047 176.300 0.182 0.000 1.100 1135 R CA 1.235 57.516 56.100 0.300 0.000 0.980 1135 R CB -0.010 30.457 30.300 0.278 0.000 0.875 1135 R HN 0.095 nan 8.270 nan 0.000 0.445 1136 D N 0.697 121.152 120.400 0.091 0.000 2.126 1136 D HA -0.204 4.439 4.640 0.004 0.000 0.190 1136 D C 1.978 178.329 176.300 0.084 0.000 1.001 1136 D CA 1.648 55.688 54.000 0.067 0.000 0.841 1136 D CB -0.692 40.125 40.800 0.028 0.000 0.949 1136 D HN 0.291 nan 8.370 nan 0.000 0.446 1137 C N 0.170 119.520 119.300 0.083 0.000 2.429 1137 C HA -0.092 4.371 4.460 0.004 0.000 0.277 1137 C C 2.658 177.801 174.990 0.255 0.000 1.262 1137 C CA 0.371 59.466 59.018 0.129 0.000 1.733 1137 C CB -0.712 27.089 27.740 0.102 0.000 2.010 1137 C HN 0.286 nan 8.230 nan 0.000 0.483 1138 M N 0.399 120.165 119.600 0.276 0.000 2.229 1138 M HA 0.038 4.521 4.480 0.004 0.000 0.264 1138 M C 1.831 178.271 176.300 0.233 0.000 1.063 1138 M CA 1.236 56.719 55.300 0.306 0.000 1.114 1138 M CB -0.820 32.055 32.600 0.458 0.000 1.387 1138 M HN 0.334 nan 8.290 nan 0.000 0.420 1139 I N -0.774 119.906 120.570 0.183 0.000 2.179 1139 I HA -0.286 3.886 4.170 0.004 0.000 0.242 1139 I C 2.412 178.581 176.117 0.088 0.000 1.088 1139 I CA 1.093 62.466 61.300 0.121 0.000 1.357 1139 I CB -0.747 37.309 38.000 0.094 0.000 1.051 1139 I HN 0.241 nan 8.210 nan 0.000 0.409 1140 A N 0.750 123.607 122.820 0.063 0.000 1.859 1140 A HA -0.326 3.996 4.320 0.004 0.000 0.218 1140 A C 2.099 179.658 177.584 -0.043 0.000 1.209 1140 A CA 2.353 54.374 52.037 -0.026 0.000 0.639 1140 A CB -1.453 17.481 19.000 -0.110 0.000 0.835 1140 A HN 0.477 nan 8.150 nan 0.000 0.450 1141 H N -1.501 117.574 119.070 0.009 0.000 2.460 1141 H HA 0.095 4.654 4.556 0.004 0.000 0.297 1141 H C 1.745 177.073 175.328 0.001 0.000 1.103 1141 H CA 1.750 57.794 56.048 -0.006 0.000 1.292 1141 H CB -0.077 29.669 29.762 -0.028 0.000 1.376 1141 H HN 0.843 nan 8.280 nan 0.000 0.531 1142 G N -1.114 107.766 108.800 0.133 0.000 2.195 1142 G HA2 -0.241 3.721 3.960 0.004 0.000 0.224 1142 G HA3 -0.241 3.721 3.960 0.004 0.000 0.224 1142 G C 0.563 175.517 174.900 0.090 0.000 0.990 1142 G CA -0.029 45.123 45.100 0.087 0.000 0.639 1142 G HN 0.679 nan 8.290 nan 0.000 0.514 1143 A N 0.660 123.545 122.820 0.108 0.000 2.618 1143 A HA 0.693 5.015 4.320 0.004 0.000 0.293 1143 A C 1.648 179.316 177.584 0.141 0.000 1.413 1143 A CA 1.333 53.428 52.037 0.097 0.000 1.074 1143 A CB -0.168 18.848 19.000 0.026 0.000 1.087 1143 A HN 1.740 nan 8.150 nan 0.000 0.553 1144 A N 1.816 124.699 122.820 0.104 0.000 1.943 1144 A HA 0.083 4.405 4.320 0.004 0.000 0.213 1144 A C 2.285 179.918 177.584 0.081 0.000 1.181 1144 A CA 1.558 53.648 52.037 0.089 0.000 0.653 1144 A CB -0.318 18.719 19.000 0.061 0.000 0.833 1144 A HN 0.675 nan 8.150 nan 0.000 0.451 1145 S N -0.905 114.848 115.700 0.088 0.000 2.414 1145 S HA -0.019 4.453 4.470 0.004 0.000 0.227 1145 S C 1.608 176.249 174.600 0.069 0.000 1.022 1145 S CA 1.028 59.265 58.200 0.062 0.000 0.958 1145 S CB -0.455 62.779 63.200 0.058 0.000 0.797 1145 S HN 0.606 nan 8.310 nan 0.000 0.493 1146 F N 2.257 122.184 119.950 -0.039 0.000 2.206 1146 F HA 0.109 4.638 4.527 0.004 0.000 0.298 1146 F C 1.873 177.605 175.800 -0.115 0.000 1.090 1146 F CA 0.784 58.745 58.000 -0.065 0.000 1.323 1146 F CB -0.160 38.815 39.000 -0.042 0.000 1.028 1146 F HN 0.090 nan 8.300 nan 0.000 0.492 1147 L N 0.871 122.164 121.223 0.115 0.000 2.046 1147 L HA -0.240 4.102 4.340 0.004 0.000 0.208 1147 L C 2.517 179.277 176.870 -0.183 0.000 1.077 1147 L CA 1.950 56.772 54.840 -0.030 0.000 0.747 1147 L CB -0.673 41.446 42.059 0.099 0.000 0.896 1147 L HN 0.246 nan 8.230 nan 0.000 0.432 1148 K N -0.068 120.266 120.400 -0.111 0.000 2.062 1148 K HA -0.239 4.083 4.320 0.004 0.000 0.205 1148 K C 1.929 178.412 176.600 -0.195 0.000 1.051 1148 K CA 1.400 57.617 56.287 -0.117 0.000 0.941 1148 K CB -0.042 32.426 32.500 -0.054 0.000 0.719 1148 K HN 0.351 nan 8.250 nan 0.000 0.440 1149 E N 0.490 120.541 120.200 -0.247 0.000 2.072 1149 E HA -0.131 4.221 4.350 0.004 0.000 0.191 1149 E C 1.523 177.881 176.600 -0.403 0.000 0.985 1149 E CA 0.608 56.839 56.400 -0.282 0.000 0.801 1149 E CB 0.202 29.751 29.700 -0.253 0.000 0.750 1149 E HN 0.148 nan 8.360 nan 0.000 0.452 1150 R N 0.156 120.257 120.500 -0.667 0.000 2.343 1150 R HA -0.028 4.315 4.340 0.004 0.000 0.202 1150 R C 0.865 176.836 176.300 -0.548 0.000 1.023 1150 R CA 0.341 55.988 56.100 -0.754 0.000 1.084 1150 R CB 0.052 29.548 30.300 -1.340 0.000 0.956 1150 R HN 0.194 nan 8.270 nan 0.000 0.478 1151 L N -1.597 119.409 121.223 -0.363 0.000 3.360 1151 L HA 0.216 4.559 4.340 0.004 0.000 0.303 1151 L C 1.114 177.900 176.870 -0.141 0.000 1.218 1151 L CA 0.286 54.990 54.840 -0.226 0.000 1.059 1151 L CB 0.528 42.471 42.059 -0.192 0.000 1.468 1151 L HN -0.078 nan 8.230 nan 0.000 0.614 1152 M N -1.989 117.520 119.600 -0.152 0.000 2.330 1152 M HA 0.256 4.738 4.480 0.004 0.000 0.207 1152 M C 1.399 177.639 176.300 -0.101 0.000 1.622 1152 M CA 0.699 55.936 55.300 -0.104 0.000 1.045 1152 M CB 0.138 32.676 32.600 -0.102 0.000 1.461 1152 M HN -0.088 nan 8.290 nan 0.000 0.564 1153 E N 1.284 121.410 120.200 -0.124 0.000 2.190 1153 E HA 0.289 4.641 4.350 0.004 0.000 0.191 1153 E C 0.909 177.452 176.600 -0.095 0.000 0.978 1153 E CA 0.486 56.824 56.400 -0.103 0.000 0.839 1153 E CB 0.052 29.689 29.700 -0.104 0.000 0.787 1153 E HN 0.401 nan 8.360 nan 0.000 0.473 1154 A N 0.307 123.051 122.820 -0.127 0.000 2.262 1154 A HA 0.427 4.750 4.320 0.004 0.000 0.273 1154 A C 1.068 178.598 177.584 -0.090 0.000 1.202 1154 A CA 0.317 52.287 52.037 -0.111 0.000 0.811 1154 A CB 0.047 18.956 19.000 -0.152 0.000 1.159 1154 A HN 0.156 nan 8.150 nan 0.000 0.505 1155 S N -0.780 114.880 115.700 -0.066 0.000 4.046 1155 S HA -0.261 4.212 4.470 0.004 0.000 0.572 1155 S C -0.073 174.505 174.600 -0.036 0.000 2.022 1155 S CA 1.962 60.135 58.200 -0.045 0.000 4.201 1155 S CB -1.742 61.428 63.200 -0.049 0.000 0.438 1155 S HN 1.689 nan 8.310 nan 0.000 0.618 1156 D N 2.105 122.494 120.400 -0.020 0.000 2.362 1156 D HA 0.748 5.390 4.640 0.004 0.000 0.247 1156 D C -0.188 176.135 176.300 0.037 0.000 1.050 1156 D CA 0.079 54.087 54.000 0.013 0.000 0.839 1156 D CB 1.326 42.153 40.800 0.045 0.000 1.283 1156 D HN 0.856 nan 8.370 nan 0.000 0.477 1157 A N 1.176 124.037 122.820 0.068 0.000 2.309 1157 A HA 0.864 5.187 4.320 0.004 0.000 0.317 1157 A C -1.332 176.430 177.584 0.296 0.000 1.134 1157 A CA -0.707 51.389 52.037 0.098 0.000 0.866 1157 A CB 1.203 20.201 19.000 -0.005 0.000 1.329 1157 A HN 0.488 nan 8.150 nan 0.000 0.477 1158 F N -0.733 119.267 119.950 0.084 0.000 2.690 1158 F HA 0.461 4.991 4.527 0.004 0.000 0.311 1158 F C -0.626 175.271 175.800 0.161 0.000 1.111 1158 F CA -0.541 57.541 58.000 0.136 0.000 1.003 1158 F CB 1.514 40.627 39.000 0.189 0.000 1.283 1158 F HN 0.517 nan 8.300 nan 0.000 0.442 1159 R N 5.179 125.377 120.500 -0.502 0.000 2.335 1159 R HA 0.601 4.943 4.340 0.004 0.000 0.302 1159 R C -1.628 174.235 176.300 -0.728 0.000 1.147 1159 R CA -0.152 55.693 56.100 -0.425 0.000 1.111 1159 R CB 0.508 30.643 30.300 -0.275 0.000 1.122 1159 R HN 0.486 nan 8.270 nan 0.000 0.557 1160 V N 2.582 122.204 119.914 -0.488 0.000 3.262 1160 V HA 0.414 4.536 4.120 0.004 0.000 0.313 1160 V C 0.249 176.122 176.094 -0.369 0.000 1.070 1160 V CA -0.786 61.303 62.300 -0.352 0.000 1.049 1160 V CB 1.537 33.328 31.823 -0.054 0.000 1.157 1160 V HN 0.572 nan 8.190 nan 0.000 0.454 1161 H N 1.084 120.102 119.070 -0.087 0.000 2.495 1161 H HA 0.605 5.163 4.556 0.004 0.000 0.348 1161 H C -0.992 174.292 175.328 -0.074 0.000 1.113 1161 H CA -0.712 55.273 56.048 -0.106 0.000 1.195 1161 H CB 1.953 31.641 29.762 -0.123 0.000 1.521 1161 H HN 0.296 nan 8.280 nan 0.000 0.509 1162 I N 1.606 122.223 120.570 0.078 0.000 2.646 1162 I HA 0.074 4.246 4.170 0.004 0.000 0.299 1162 I C 0.167 176.254 176.117 -0.049 0.000 1.036 1162 I CA -0.603 60.707 61.300 0.017 0.000 1.074 1162 I CB 1.930 39.955 38.000 0.042 0.000 1.258 1162 I HN 0.540 nan 8.210 nan 0.000 0.430 1163 C N 5.294 124.553 119.300 -0.069 0.000 2.246 1163 C HA 0.483 4.945 4.460 0.004 0.000 0.329 1163 C C 1.842 176.760 174.990 -0.120 0.000 1.221 1163 C CA -0.277 58.678 59.018 -0.105 0.000 1.697 1163 C CB -0.467 27.226 27.740 -0.079 0.000 2.312 1163 C HN 1.037 nan 8.230 nan 0.000 0.509 1164 G N 5.835 114.552 108.800 -0.139 0.000 2.550 1164 G HA2 -0.191 3.771 3.960 0.004 0.000 0.222 1164 G HA3 -0.191 3.771 3.960 0.004 0.000 0.222 1164 G C 1.080 175.916 174.900 -0.105 0.000 1.113 1164 G CA 1.322 46.381 45.100 -0.068 0.000 0.748 1164 G HN 0.726 nan 8.290 nan 0.000 0.585 1165 I N 1.030 121.537 120.570 -0.105 0.000 5.431 1165 I HA 0.013 4.186 4.170 0.004 0.000 0.200 1165 I C 3.218 179.266 176.117 -0.115 0.000 0.934 1165 I CA 0.261 61.514 61.300 -0.077 0.000 1.515 1165 I CB -1.670 36.306 38.000 -0.040 0.000 1.349 1165 I HN 0.372 nan 8.210 nan 0.000 0.438 1166 C N 1.401 120.665 119.300 -0.060 0.000 2.294 1166 C HA -0.149 4.313 4.460 0.004 0.000 0.265 1166 C C 1.661 176.587 174.990 -0.107 0.000 1.115 1166 C CA 0.728 59.723 59.018 -0.038 0.000 1.809 1166 C CB -1.951 25.775 27.740 -0.023 0.000 2.010 1166 C HN 1.175 nan 8.230 nan 0.000 0.425 1167 G N 0.254 108.958 108.800 -0.160 0.000 2.455 1167 G HA2 0.099 4.061 3.960 0.004 0.000 0.169 1167 G HA3 0.099 4.061 3.960 0.004 0.000 0.169 1167 G C -0.608 174.225 174.900 -0.112 0.000 1.074 1167 G CA 0.030 44.995 45.100 -0.226 0.000 0.796 1167 G HN 0.799 nan 8.290 nan 0.000 0.489 1168 L N -1.482 119.700 121.223 -0.069 0.000 2.194 1168 L HA 0.680 5.023 4.340 0.004 0.000 0.248 1168 L C 1.377 178.246 176.870 -0.002 0.000 1.071 1168 L CA -1.434 53.387 54.840 -0.031 0.000 0.901 1168 L CB 1.286 43.337 42.059 -0.013 0.000 1.497 1168 L HN 0.091 nan 8.230 nan 0.000 0.442 1169 M N -0.321 119.297 119.600 0.031 0.000 2.571 1169 M HA 0.072 4.555 4.480 0.004 0.000 0.235 1169 M C 0.735 177.069 176.300 0.056 0.000 1.216 1169 M CA 0.108 55.443 55.300 0.057 0.000 0.979 1169 M CB -0.211 32.442 32.600 0.088 0.000 1.616 1169 M HN 0.574 nan 8.290 nan 0.000 0.469 1170 T N -0.965 113.610 114.554 0.035 0.000 3.118 1170 T HA 0.066 4.419 4.350 0.004 0.000 0.260 1170 T C 0.846 175.567 174.700 0.035 0.000 1.139 1170 T CA 0.110 62.230 62.100 0.034 0.000 1.085 1170 T CB -0.295 68.585 68.868 0.020 0.000 0.934 1170 T HN 0.138 nan 8.240 nan 0.000 0.518 1171 V N 2.663 122.596 119.914 0.032 0.000 2.617 1171 V HA 0.031 4.153 4.120 0.004 0.000 0.304 1171 V C 0.615 176.752 176.094 0.071 0.000 1.040 1171 V CA 0.031 62.350 62.300 0.032 0.000 1.149 1171 V CB -0.097 31.725 31.823 -0.002 0.000 0.914 1171 V HN 0.439 nan 8.190 nan 0.000 0.487 1172 I N 4.957 125.571 120.570 0.072 0.000 2.260 1172 I HA 0.265 4.437 4.170 0.004 0.000 0.297 1172 I C 1.008 177.207 176.117 0.135 0.000 1.143 1172 I CA -0.070 61.284 61.300 0.090 0.000 1.271 1172 I CB 0.551 38.587 38.000 0.060 0.000 1.461 1172 I HN 0.716 nan 8.210 nan 0.000 0.530 1173 A N 6.624 129.554 122.820 0.183 0.000 2.535 1173 A HA 0.066 4.389 4.320 0.004 0.000 0.290 1173 A C 0.820 178.514 177.584 0.183 0.000 1.270 1173 A CA 0.088 52.289 52.037 0.273 0.000 0.937 1173 A CB -0.426 18.803 19.000 0.382 0.000 1.096 1173 A HN 0.698 nan 8.150 nan 0.000 0.534 1174 K N 2.903 123.363 120.400 0.100 0.000 2.827 1174 K HA 0.247 4.569 4.320 0.004 0.000 0.222 1174 K C -0.264 176.336 176.600 -0.000 0.000 1.114 1174 K CA -0.246 56.062 56.287 0.035 0.000 1.206 1174 K CB -0.277 32.215 32.500 -0.013 0.000 1.035 1174 K HN 0.750 nan 8.250 nan 0.000 0.464 1175 L N 1.056 122.307 121.223 0.046 0.000 2.654 1175 L HA -0.286 4.056 4.340 0.004 0.000 0.309 1175 L C 1.230 178.068 176.870 -0.053 0.000 1.267 1175 L CA 0.908 55.762 54.840 0.023 0.000 0.866 1175 L CB -0.240 41.893 42.059 0.123 0.000 1.108 1175 L HN 0.612 nan 8.230 nan 0.000 0.516 1176 N N -0.716 117.912 118.700 -0.120 0.000 2.723 1176 N HA -0.243 4.500 4.740 0.004 0.000 0.203 1176 N C 0.807 176.099 175.510 -0.364 0.000 1.197 1176 N CA 1.525 54.432 53.050 -0.239 0.000 1.848 1176 N CB -0.798 37.510 38.487 -0.298 0.000 0.911 1176 N HN 0.792 nan 8.380 nan 0.000 0.520 1177 H N 0.239 119.231 119.070 -0.130 0.000 2.529 1177 H HA 0.277 4.836 4.556 0.004 0.000 0.277 1177 H C 0.747 175.933 175.328 -0.236 0.000 1.004 1177 H CA 0.529 56.489 56.048 -0.146 0.000 1.167 1177 H CB 0.177 29.868 29.762 -0.117 0.000 1.445 1177 H HN 0.309 nan 8.280 nan 0.000 0.554 1178 N N 1.004 119.531 118.700 -0.288 0.000 2.809 1178 N HA -0.227 4.516 4.740 0.004 0.000 0.244 1178 N C -0.058 175.002 175.510 -0.750 0.000 1.018 1178 N CA 0.894 53.618 53.050 -0.543 0.000 0.917 1178 N CB -0.817 37.508 38.487 -0.270 0.000 1.130 1178 N HN 0.569 nan 8.380 nan 0.000 0.591 1179 Q N -0.833 118.687 119.800 -0.466 0.000 2.311 1179 Q HA 0.195 4.538 4.340 0.004 0.000 0.272 1179 Q C 0.802 176.517 176.000 -0.476 0.000 1.012 1179 Q CA 0.499 56.097 55.803 -0.342 0.000 0.891 1179 Q CB 0.296 28.938 28.738 -0.159 0.000 1.201 1179 Q HN 0.342 nan 8.270 nan 0.000 0.391 1180 F N 0.301 120.207 119.950 -0.075 0.000 2.423 1180 F HA 0.088 4.618 4.527 0.004 0.000 0.269 1180 F C 0.009 175.753 175.800 -0.093 0.000 0.880 1180 F CA -0.520 57.410 58.000 -0.117 0.000 1.134 1180 F CB 0.606 39.494 39.000 -0.186 0.000 1.143 1180 F HN 0.540 nan 8.300 nan 0.000 0.802 1181 E N -0.250 120.017 120.200 0.112 0.000 8.683 1181 E HA -0.309 4.043 4.350 0.004 0.000 0.467 1181 E C -1.018 175.593 176.600 0.019 0.000 1.143 1181 E CA 0.381 56.804 56.400 0.039 0.000 1.985 1181 E CB -0.790 28.923 29.700 0.021 0.000 1.008 1181 E HN 0.335 nan 8.360 nan 0.000 0.308 1182 C N 2.764 122.064 119.300 -0.001 0.000 2.789 1182 C HA 0.410 4.873 4.460 0.004 0.000 0.324 1182 C C -0.444 174.544 174.990 -0.002 0.000 1.042 1182 C CA -0.590 58.426 59.018 -0.003 0.000 1.396 1182 C CB -0.316 27.413 27.740 -0.019 0.000 1.870 1182 C HN 0.685 nan 8.230 nan 0.000 0.470 1183 K N 4.391 124.793 120.400 0.004 0.000 2.436 1183 K HA 0.566 4.888 4.320 0.004 0.000 0.275 1183 K C 1.171 177.772 176.600 0.002 0.000 0.999 1183 K CA 0.955 57.244 56.287 0.002 0.000 0.980 1183 K CB 0.565 33.067 32.500 0.004 0.000 0.919 1183 K HN 1.609 nan 8.250 nan 0.000 0.484 1184 G N 1.639 110.439 108.800 0.001 0.000 2.729 1184 G HA2 -0.341 3.621 3.960 0.004 0.000 0.216 1184 G HA3 -0.341 3.621 3.960 0.004 0.000 0.216 1184 G C 1.230 176.130 174.900 -0.000 0.000 1.252 1184 G CA 0.016 45.117 45.100 0.001 0.000 0.751 1184 G HN 0.682 nan 8.290 nan 0.000 0.527 1185 C N 1.637 120.935 119.300 -0.003 0.000 2.472 1185 C HA 0.293 4.756 4.460 0.004 0.000 0.278 1185 C C 1.375 176.360 174.990 -0.009 0.000 1.447 1185 C CA 0.653 59.667 59.018 -0.007 0.000 1.773 1185 C CB -1.020 26.712 27.740 -0.014 0.000 1.793 1185 C HN 0.682 nan 8.230 nan 0.000 0.544 1186 D N 0.859 121.254 120.400 -0.008 0.000 2.811 1186 D HA -0.172 4.471 4.640 0.004 0.000 0.231 1186 D C -0.017 176.274 176.300 -0.014 0.000 1.157 1186 D CA 0.866 54.861 54.000 -0.009 0.000 0.716 1186 D CB -1.594 39.202 40.800 -0.006 0.000 1.077 1186 D HN 0.718 nan 8.370 nan 0.000 0.428 1187 N N 0.298 118.985 118.700 -0.021 0.000 2.479 1187 N HA 0.208 4.951 4.740 0.004 0.000 0.285 1187 N C 0.790 176.283 175.510 -0.028 0.000 1.075 1187 N CA -0.114 52.916 53.050 -0.033 0.000 0.967 1187 N CB 0.719 39.175 38.487 -0.051 0.000 1.137 1187 N HN 0.015 nan 8.380 nan 0.000 0.472 1188 K N 2.676 123.059 120.400 -0.029 0.000 2.562 1188 K HA 0.194 4.516 4.320 0.004 0.000 0.218 1188 K C 0.589 177.182 176.600 -0.012 0.000 1.374 1188 K CA -0.026 56.256 56.287 -0.008 0.000 0.996 1188 K CB 0.763 33.260 32.500 -0.005 0.000 1.127 1188 K HN 0.402 nan 8.250 nan 0.000 0.603 1189 I N 0.729 121.267 120.570 -0.052 0.000 3.443 1189 I HA 0.001 4.173 4.170 0.004 0.000 0.277 1189 I C -0.080 175.930 176.117 -0.179 0.000 1.169 1189 I CA 0.302 61.557 61.300 -0.076 0.000 1.419 1189 I CB 0.555 38.525 38.000 -0.050 0.000 1.331 1189 I HN -0.071 nan 8.210 nan 0.000 0.458 1190 D N 2.969 123.252 120.400 -0.195 0.000 2.429 1190 D HA 0.276 4.918 4.640 0.004 0.000 0.253 1190 D C -0.504 175.494 176.300 -0.503 0.000 1.294 1190 D CA 0.810 54.614 54.000 -0.326 0.000 1.063 1190 D CB 0.242 40.937 40.800 -0.174 0.000 1.096 1190 D HN 0.103 nan 8.370 nan 0.000 0.516 1191 I N 2.233 122.327 120.570 -0.794 0.000 2.610 1191 I HA 0.215 4.387 4.170 0.004 0.000 0.289 1191 I C -1.453 174.154 176.117 -0.851 0.000 1.163 1191 I CA -0.662 60.204 61.300 -0.723 0.000 1.044 1191 I CB 1.596 39.272 38.000 -0.540 0.000 1.251 1191 I HN 0.058 nan 8.210 nan 0.000 0.424 1192 Y N 4.865 125.043 120.300 -0.202 0.000 2.425 1192 Y HA 0.449 5.001 4.550 0.004 0.000 0.344 1192 Y C -0.142 175.733 175.900 -0.042 0.000 0.969 1192 Y CA -0.748 57.271 58.100 -0.136 0.000 1.052 1192 Y CB 1.765 40.162 38.460 -0.104 0.000 1.215 1192 Y HN 0.400 nan 8.280 nan 0.000 0.451 1193 Q N 4.650 124.520 119.800 0.117 0.000 2.304 1193 Q HA 0.417 4.760 4.340 0.004 0.000 0.260 1193 Q C -0.752 175.175 176.000 -0.121 0.000 0.965 1193 Q CA -0.465 55.336 55.803 -0.003 0.000 0.898 1193 Q CB 0.851 29.563 28.738 -0.043 0.000 1.196 1193 Q HN 0.672 nan 8.270 nan 0.000 0.402 1194 I N 0.579 121.022 120.570 -0.212 0.000 3.042 1194 I HA 0.485 4.658 4.170 0.004 0.000 0.310 1194 I C -1.498 174.462 176.117 -0.262 0.000 1.117 1194 I CA -0.835 60.344 61.300 -0.202 0.000 1.003 1194 I CB 2.061 40.026 38.000 -0.059 0.000 1.228 1194 I HN 0.637 nan 8.210 nan 0.000 0.443 1195 H N 5.419 124.475 119.070 -0.023 0.000 2.587 1195 H HA 0.693 5.252 4.556 0.004 0.000 0.325 1195 H C -0.200 175.145 175.328 0.027 0.000 1.012 1195 H CA -0.345 55.696 56.048 -0.011 0.000 1.213 1195 H CB 1.785 31.542 29.762 -0.010 0.000 1.431 1195 H HN 0.671 nan 8.280 nan 0.000 0.492 1196 I N 0.029 120.714 120.570 0.191 0.000 3.174 1196 I HA 0.580 4.752 4.170 0.004 0.000 0.313 1196 I C -3.067 173.137 176.117 0.145 0.000 1.155 1196 I CA -2.989 58.395 61.300 0.140 0.000 0.977 1196 I CB 2.196 40.275 38.000 0.131 0.000 1.248 1196 I HN 0.121 nan 8.210 nan 0.000 0.453 1197 P HA 0.028 nan 4.420 nan 0.000 0.268 1197 P C 0.018 177.375 177.300 0.095 0.000 1.208 1197 P CA 0.358 63.498 63.100 0.068 0.000 0.777 1197 P CB 0.352 32.049 31.700 -0.005 0.000 0.875 1198 Y N 2.949 123.234 120.300 -0.026 0.000 2.242 1198 Y HA -0.174 4.379 4.550 0.005 0.000 0.291 1198 Y C 2.190 177.979 175.900 -0.186 0.000 1.137 1198 Y CA 1.984 59.966 58.100 -0.195 0.000 1.181 1198 Y CB -0.690 37.523 38.460 -0.411 0.000 0.989 1198 Y HN 0.398 nan 8.280 nan 0.000 0.527 1199 A N 0.351 123.130 122.820 -0.068 0.000 2.070 1199 A HA -0.062 4.261 4.320 0.004 0.000 0.220 1199 A C 2.292 179.712 177.584 -0.274 0.000 1.159 1199 A CA 1.419 53.369 52.037 -0.144 0.000 0.656 1199 A CB -1.252 17.715 19.000 -0.056 0.000 0.800 1199 A HN 0.606 nan 8.150 nan 0.000 0.453 1200 A N 0.582 123.225 122.820 -0.296 0.000 1.821 1200 A HA -0.122 4.201 4.320 0.004 0.000 0.215 1200 A C 2.148 179.356 177.584 -0.627 0.000 1.214 1200 A CA 1.864 53.588 52.037 -0.521 0.000 0.608 1200 A CB -0.667 18.133 19.000 -0.334 0.000 0.862 1200 A HN 0.405 nan 8.150 nan 0.000 0.448 1201 K N -0.184 120.033 120.400 -0.304 0.000 2.117 1201 K HA -0.241 4.082 4.320 0.004 0.000 0.215 1201 K C 1.890 178.354 176.600 -0.225 0.000 1.053 1201 K CA 2.190 58.399 56.287 -0.131 0.000 0.935 1201 K CB -0.768 31.699 32.500 -0.054 0.000 0.719 1201 K HN 0.391 nan 8.250 nan 0.000 0.460 1202 L N 1.139 122.109 121.223 -0.422 0.000 1.956 1202 L HA -0.222 4.120 4.340 0.004 0.000 0.216 1202 L C 2.745 179.506 176.870 -0.183 0.000 1.073 1202 L CA 1.885 56.532 54.840 -0.321 0.000 0.762 1202 L CB -1.100 40.752 42.059 -0.345 0.000 0.889 1202 L HN 0.394 nan 8.230 nan 0.000 0.433 1203 L N -0.095 120.980 121.223 -0.247 0.000 2.043 1203 L HA -0.264 4.079 4.340 0.004 0.000 0.212 1203 L C 2.379 179.243 176.870 -0.010 0.000 1.075 1203 L CA 1.942 56.678 54.840 -0.174 0.000 0.752 1203 L CB -0.985 40.904 42.059 -0.282 0.000 0.891 1203 L HN 0.198 nan 8.230 nan 0.000 0.432 1204 F N -0.971 118.961 119.950 -0.031 0.000 2.234 1204 F HA -0.215 4.315 4.527 0.004 0.000 0.299 1204 F C 2.580 178.373 175.800 -0.012 0.000 1.087 1204 F CA 0.866 58.858 58.000 -0.013 0.000 1.340 1204 F CB -0.187 38.809 39.000 -0.006 0.000 1.031 1204 F HN 0.238 nan 8.300 nan 0.000 0.500 1205 Q N 0.313 120.199 119.800 0.143 0.000 2.096 1205 Q HA -0.164 4.178 4.340 0.004 0.000 0.197 1205 Q C 1.963 177.997 176.000 0.056 0.000 0.964 1205 Q CA 1.156 57.006 55.803 0.078 0.000 0.838 1205 Q CB -0.071 28.686 28.738 0.031 0.000 0.906 1205 Q HN 0.470 nan 8.270 nan 0.000 0.444 1206 E N 0.500 120.724 120.200 0.039 0.000 2.085 1206 E HA -0.191 4.161 4.350 0.004 0.000 0.194 1206 E C 1.988 178.617 176.600 0.050 0.000 0.994 1206 E CA 0.848 57.268 56.400 0.033 0.000 0.801 1206 E CB -0.039 29.671 29.700 0.016 0.000 0.743 1206 E HN 0.320 nan 8.360 nan 0.000 0.453 1207 L N 0.098 121.368 121.223 0.078 0.000 2.083 1207 L HA -0.181 4.162 4.340 0.004 0.000 0.209 1207 L C 2.501 179.409 176.870 0.063 0.000 1.083 1207 L CA 1.048 55.938 54.840 0.083 0.000 0.752 1207 L CB -0.309 41.829 42.059 0.131 0.000 0.899 1207 L HN 0.266 nan 8.230 nan 0.000 0.433 1208 M N -0.673 118.967 119.600 0.066 0.000 2.132 1208 M HA -0.155 4.328 4.480 0.004 0.000 0.263 1208 M C 2.431 178.754 176.300 0.038 0.000 1.065 1208 M CA 1.855 57.183 55.300 0.047 0.000 1.122 1208 M CB -0.458 32.172 32.600 0.049 0.000 1.365 1208 M HN 0.257 nan 8.290 nan 0.000 0.411 1209 A N -0.391 122.453 122.820 0.039 0.000 2.067 1209 A HA -0.091 4.231 4.320 0.004 0.000 0.219 1209 A C 1.969 179.570 177.584 0.028 0.000 1.158 1209 A CA 1.148 53.204 52.037 0.031 0.000 0.661 1209 A CB -0.586 18.432 19.000 0.030 0.000 0.801 1209 A HN 0.510 nan 8.150 nan 0.000 0.452 1210 M N -0.044 119.574 119.600 0.031 0.000 2.608 1210 M HA 0.151 4.634 4.480 0.004 0.000 0.224 1210 M C 0.420 176.736 176.300 0.025 0.000 1.204 1210 M CA 0.062 55.378 55.300 0.027 0.000 0.984 1210 M CB -0.440 32.178 32.600 0.030 0.000 1.691 1210 M HN 0.521 nan 8.290 nan 0.000 0.469 1211 N N 1.277 119.992 118.700 0.025 0.000 2.735 1211 N HA -0.189 4.553 4.740 0.004 0.000 0.248 1211 N C -1.255 174.268 175.510 0.021 0.000 1.083 1211 N CA 0.654 53.717 53.050 0.022 0.000 0.703 1211 N CB -0.711 37.787 38.487 0.018 0.000 1.005 1211 N HN 0.454 nan 8.380 nan 0.000 0.550 1212 I N 0.991 121.576 120.570 0.026 0.000 2.498 1212 I HA 0.167 4.339 4.170 0.004 0.000 0.290 1212 I C 0.258 176.387 176.117 0.020 0.000 1.032 1212 I CA -0.632 60.682 61.300 0.023 0.000 1.073 1212 I CB 2.008 40.025 38.000 0.028 0.000 1.251 1212 I HN 0.016 nan 8.210 nan 0.000 0.426 1213 T N 3.117 117.676 114.554 0.010 0.000 2.762 1213 T HA 0.456 4.809 4.350 0.004 0.000 0.303 1213 T C -2.518 172.164 174.700 -0.030 0.000 0.977 1213 T CA -1.823 60.276 62.100 -0.002 0.000 0.961 1213 T CB 0.479 69.351 68.868 0.006 0.000 0.944 1213 T HN 0.234 nan 8.240 nan 0.000 0.481 1214 P HA 0.410 nan 4.420 nan 0.000 0.273 1214 P C -0.274 176.877 177.300 -0.248 0.000 1.531 1214 P CA -0.695 62.287 63.100 -0.197 0.000 1.027 1214 P CB 0.419 31.929 31.700 -0.316 0.000 1.387 1215 R N 2.309 122.744 120.500 -0.107 0.000 2.441 1215 R HA 0.498 4.840 4.340 0.004 0.000 0.284 1215 R C 0.027 176.310 176.300 -0.028 0.000 1.070 1215 R CA -0.569 55.516 56.100 -0.025 0.000 1.047 1215 R CB 0.731 31.134 30.300 0.172 0.000 1.016 1215 R HN 0.413 nan 8.270 nan 0.000 0.477 1216 L N 3.809 124.988 121.223 -0.073 0.000 2.298 1216 L HA 0.401 4.743 4.340 0.004 0.000 0.284 1216 L C -1.000 175.842 176.870 -0.046 0.000 1.013 1216 L CA -0.715 54.097 54.840 -0.047 0.000 0.824 1216 L CB 0.686 42.692 42.059 -0.089 0.000 1.221 1216 L HN 0.488 nan 8.230 nan 0.000 0.418 1217 Y N 1.151 121.417 120.300 -0.056 0.000 2.377 1217 Y HA 0.241 4.794 4.550 0.004 0.000 0.339 1217 Y C 1.396 177.251 175.900 -0.075 0.000 1.011 1217 Y CA -0.414 57.659 58.100 -0.045 0.000 1.093 1217 Y CB 2.157 40.596 38.460 -0.036 0.000 1.201 1217 Y HN 0.540 nan 8.280 nan 0.000 0.455 1218 T N 0.192 114.728 114.554 -0.031 0.000 2.937 1218 T HA -0.044 4.308 4.350 0.004 0.000 0.260 1218 T C -0.175 174.452 174.700 -0.122 0.000 1.051 1218 T CA 0.871 62.863 62.100 -0.181 0.000 1.141 1218 T CB -0.260 68.282 68.868 -0.543 0.000 0.879 1218 T HN 0.653 nan 8.240 nan 0.000 0.459 1219 D N 0.184 120.554 120.400 -0.050 0.000 2.181 1219 D HA 0.347 4.989 4.640 0.004 0.000 0.248 1219 D C 0.921 177.219 176.300 -0.002 0.000 1.020 1219 D CA -0.929 53.050 54.000 -0.035 0.000 0.891 1219 D CB 0.989 41.773 40.800 -0.026 0.000 1.187 1219 D HN -0.332 nan 8.370 nan 0.000 0.443 1220 R N 0.673 121.166 120.500 -0.011 0.000 2.159 1220 R HA -0.013 4.330 4.340 0.004 0.000 0.237 1220 R C 0.383 176.683 176.300 -0.001 0.000 1.131 1220 R CA 0.561 56.658 56.100 -0.004 0.000 0.982 1220 R CB -0.354 29.942 30.300 -0.006 0.000 0.868 1220 R HN 0.477 nan 8.270 nan 0.000 0.453 1221 S N -0.924 114.777 115.700 0.001 0.000 2.694 1221 S HA 0.341 4.814 4.470 0.004 0.000 0.278 1221 S C 0.948 175.547 174.600 -0.001 0.000 1.152 1221 S CA -0.609 57.593 58.200 0.003 0.000 1.010 1221 S CB 2.352 65.553 63.200 0.003 0.000 1.104 1221 S HN 0.163 nan 8.310 nan 0.000 0.547 1222 R N -0.384 120.115 120.500 -0.001 0.000 1.836 1222 R HA 0.325 4.668 4.340 0.004 0.000 0.128 1222 R C -0.054 176.247 176.300 0.002 0.000 2.038 1222 R CA 0.005 56.087 56.100 -0.029 0.000 1.737 1222 R CB -0.112 30.166 30.300 -0.036 0.000 1.399 1222 R HN 0.592 nan 8.270 nan 0.000 0.485 1223 D N -1.019 119.401 120.400 0.033 0.000 2.267 1223 D HA 0.075 4.718 4.640 0.004 0.000 0.297 1223 D C 0.027 176.399 176.300 0.119 0.000 1.087 1223 D CA -0.210 53.827 54.000 0.060 0.000 0.864 1223 D CB 0.651 41.477 40.800 0.044 0.000 1.557 1223 D HN 0.047 nan 8.370 nan 0.000 0.523 1224 F N 0.000 119.938 119.950 -0.021 0.000 2.286 1224 F HA 0.000 4.529 4.527 0.004 0.000 0.279 1224 F CA 0.000 57.991 58.000 -0.015 0.000 1.383 1224 F CB 0.000 38.990 39.000 -0.017 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574