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 1kek_1_B DATA FIRST_RESID 2 DATA SEQUENCE GKKMMTTDGN TATAHVAYAM SEVAAIYPIT PSSTMGEEAD DWAAQGRKNI DATA SEQUENCE FGQTLTIREM QSEAGAAGAV HGALAAGALT TTFTASQGLL LMIPNMYKIS DATA SEQUENCE GELLPGVFHV TARAIAAHAL SIFGDHQDIY AARQTGFAML ASSSVQEAHD DATA SEQUENCE MALVAHLAAI ESNVPFMHFF DGFRTSHEIQ KIEVLDYADM ASLVNQKALA DATA SEQUENCE EFRAKSMNPE HPHVRGTAQN PDIYFQGREA ANPYYLKVPG IVAEYMQKVA DATA SEQUENCE SLTGRSYKLF DYVGAPDAER VIVSMGSSCE TIEEVINHLA AKGEKIGLIK DATA SEQUENCE VRLYRPFVSE AFFAALPASA KVITVLDRTK EPGAPGDPLY LDVCSAFVER DATA SEQUENCE GEAMPKILAG RYGLGSKEFS PAMVKSVYDN MSGAKKNHFT VGIEDDVTGT DATA SEQUENCE SLPVDNAFAD TTPKGTIQCQ FWGLGADGTV GANKQAIKII GDNTDLFAQG DATA SEQUENCE YFSYDSKKSG GITISHLRFG EKPIQSTYLV NRADYVACHN PAYVGIYDIL DATA SEQUENCE EGIKDGGTFV LNSPWSSLED MDKHLPSGIK RTIANKKLKF YNIDAVKIAT DATA SEQUENCE DVGLGGRINM IMQTAFFKLA GVLPFEKAVD LLKKSIHKAY GKKGEKIVKM DATA SEQUENCE NTDAVDQAVT SLQEFKYPDS WKDAPAETKA EPMTNEFFKN VVKPILTQQG DATA SEQUENCE DKLPVSAFEA DGRFPLGTSQ FEKRGVAINV PQWVPENCIQ CNQCAFVCPH DATA SEQUENCE SAILPVLAKE EELVGAPANF TALEAKGKEL KGYKFRIQIN TLDCMGCGNC DATA SEQUENCE ADICPPKEKA LVMQPLDTQR DAQVPNLEYA ARIPVKSEVL PRDSLKGSQF DATA SEQUENCE QEPLMEFSGA CSGCGETPYV RVITQLFGER MFIANATGCS SIWGASAPSM DATA SEQUENCE PYKTNRLGQG PAWGNSLFED AAEYGFGMNM SMFARRTHLA DLAAKALESD DATA SEQUENCE ASGDVKEALQ GWLAGKNDPI KSKEYGDKLK KLLAGQKDGL LGQIAAMSDL DATA SEQUENCE YTKKSVWIFG GDGWAYDIGY GGLDHVLASG EDVNVFVMDT EVYSNTGGQS DATA SEQUENCE SKATPTGAVA KFAAAGKRTG KKDLARMVMT YGYVYVATVS MGYSKQQFLK DATA SEQUENCE VLKEAESFPG PSLVIAYATC INQGLRKGMG KSQDVMNTAV KSGYWPLFRY DATA SEQUENCE DPRLAAQGKN PFQLDSKAPD GSVEEFLMAQ NRFAVLDRSF PEDAKRLRAQ DATA SEQUENCE VAHELDVRFK ELEHMAATNI FESFAPAGGK ADGSVDFGEG AEFcTRDDTP DATA SEQUENCE MMARPDSGEA cDQNRAGTSE QQGDLSKRTK K 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 2 G C 0.000 174.914 174.900 0.024 0.000 0.946 2 G CA 0.000 45.111 45.100 0.019 0.000 0.502 3 K N -0.014 120.392 120.400 0.010 0.000 2.095 3 K HA 0.690 5.011 4.320 0.002 0.000 0.252 3 K C -0.270 176.312 176.600 -0.030 0.000 0.977 3 K CA -0.631 55.653 56.287 -0.004 0.000 0.900 3 K CB 1.792 34.288 32.500 -0.007 0.000 1.060 3 K HN 0.594 nan 8.250 nan 0.000 0.449 4 K N 1.874 122.238 120.400 -0.060 0.000 2.561 4 K HA 0.242 4.563 4.320 0.002 0.000 0.254 4 K C -1.207 175.332 176.600 -0.101 0.000 0.942 4 K CA -0.614 55.627 56.287 -0.076 0.000 0.818 4 K CB 1.055 33.507 32.500 -0.080 0.000 1.306 4 K HN 0.398 nan 8.250 nan 0.000 0.435 5 M N 5.024 124.573 119.600 -0.084 0.000 2.250 5 M HA 0.391 4.872 4.480 0.002 0.000 0.344 5 M C -0.047 176.200 176.300 -0.088 0.000 1.150 5 M CA -0.151 55.097 55.300 -0.085 0.000 1.147 5 M CB 0.651 33.209 32.600 -0.071 0.000 1.498 5 M HN 0.829 nan 8.290 nan 0.000 0.461 6 M N 0.793 120.342 119.600 -0.085 0.000 2.471 6 M HA 0.526 5.007 4.480 0.002 0.000 0.284 6 M C -0.916 175.361 176.300 -0.039 0.000 1.203 6 M CA -0.756 54.501 55.300 -0.072 0.000 0.915 6 M CB 2.212 34.746 32.600 -0.109 0.000 1.734 6 M HN 0.595 nan 8.290 nan 0.000 0.485 7 T N 0.490 115.037 114.554 -0.012 0.000 2.733 7 T HA 0.806 5.157 4.350 0.002 0.000 0.294 7 T C -0.126 174.585 174.700 0.018 0.000 0.956 7 T CA 0.100 62.210 62.100 0.016 0.000 0.987 7 T CB 0.622 69.516 68.868 0.043 0.000 0.920 7 T HN 1.009 nan 8.240 nan 0.000 0.470 8 T N -0.074 114.494 114.554 0.023 0.000 2.739 8 T HA 0.597 4.948 4.350 0.002 0.000 0.303 8 T C -1.328 173.396 174.700 0.039 0.000 1.389 8 T CA -1.017 61.099 62.100 0.027 0.000 1.001 8 T CB 1.449 70.327 68.868 0.017 0.000 1.436 8 T HN 0.662 nan 8.240 nan 0.000 0.500 9 D N -0.473 119.947 120.400 0.034 0.000 2.432 9 D HA 0.501 5.142 4.640 0.002 0.000 0.258 9 D C 1.681 177.991 176.300 0.016 0.000 1.146 9 D CA -0.181 53.843 54.000 0.041 0.000 1.015 9 D CB 0.032 40.843 40.800 0.018 0.000 1.107 9 D HN 0.773 nan 8.370 nan 0.000 0.529 10 G N -0.441 108.372 108.800 0.022 0.000 2.440 10 G HA2 -0.334 3.627 3.960 0.002 0.000 0.218 10 G HA3 -0.334 3.627 3.960 0.002 0.000 0.218 10 G C 1.285 176.106 174.900 -0.133 0.000 1.154 10 G CA 0.721 45.753 45.100 -0.114 0.000 0.767 10 G HN 0.650 nan 8.290 nan 0.000 0.552 11 N N -0.427 118.309 118.700 0.060 0.000 2.069 11 N HA -0.154 4.587 4.740 0.002 0.000 0.191 11 N C 2.363 177.884 175.510 0.020 0.000 1.031 11 N CA 1.732 54.841 53.050 0.098 0.000 0.852 11 N CB -0.147 38.329 38.487 -0.018 0.000 1.018 11 N HN 0.395 nan 8.380 nan 0.000 0.423 12 T N -0.803 113.761 114.554 0.016 0.000 3.014 12 T HA 0.151 4.502 4.350 0.002 0.000 0.263 12 T C 1.803 176.612 174.700 0.182 0.000 1.078 12 T CA 0.835 63.000 62.100 0.109 0.000 1.135 12 T CB -0.135 68.816 68.868 0.139 0.000 0.895 12 T HN 0.204 nan 8.240 nan 0.000 0.480 13 A N 0.947 123.824 122.820 0.094 0.000 1.933 13 A HA -0.026 4.295 4.320 0.002 0.000 0.218 13 A C 2.653 180.340 177.584 0.172 0.000 1.175 13 A CA 2.395 54.507 52.037 0.125 0.000 0.628 13 A CB -1.435 17.596 19.000 0.053 0.000 0.814 13 A HN 0.643 nan 8.150 nan 0.000 0.444 14 T N -1.684 112.909 114.554 0.064 0.000 2.937 14 T HA 0.183 4.534 4.350 0.002 0.000 0.260 14 T C 1.955 176.706 174.700 0.085 0.000 1.051 14 T CA 1.581 63.715 62.100 0.056 0.000 1.141 14 T CB -0.419 68.505 68.868 0.093 0.000 0.879 14 T HN 0.502 nan 8.240 nan 0.000 0.459 15 A N 1.458 124.353 122.820 0.126 0.000 1.933 15 A HA -0.150 4.171 4.320 0.002 0.000 0.218 15 A C 2.306 180.188 177.584 0.496 0.000 1.175 15 A CA 1.895 54.032 52.037 0.168 0.000 0.628 15 A CB -1.410 17.555 19.000 -0.059 0.000 0.814 15 A HN 0.819 nan 8.150 nan 0.000 0.444 16 H N 0.015 119.363 119.070 0.463 0.000 2.289 16 H HA -0.158 4.399 4.556 0.002 0.000 0.294 16 H C 1.971 177.452 175.328 0.255 0.000 1.095 16 H CA 2.455 58.725 56.048 0.371 0.000 1.256 16 H CB -0.090 29.827 29.762 0.258 0.000 1.359 16 H HN 0.260 nan 8.280 nan 0.000 0.487 17 V N 1.065 121.046 119.914 0.112 0.000 2.323 17 V HA -0.161 3.960 4.120 0.002 0.000 0.244 17 V C 3.096 179.056 176.094 -0.223 0.000 1.041 17 V CA 1.380 63.593 62.300 -0.146 0.000 1.025 17 V CB -1.146 30.589 31.823 -0.146 0.000 0.656 17 V HN 0.586 nan 8.190 nan 0.000 0.451 18 A N -0.998 121.798 122.820 -0.039 0.000 1.978 18 A HA -0.280 4.041 4.320 0.002 0.000 0.220 18 A C 2.147 179.767 177.584 0.060 0.000 1.170 18 A CA 2.065 54.127 52.037 0.041 0.000 0.636 18 A CB -0.775 18.435 19.000 0.349 0.000 0.810 18 A HN 0.650 nan 8.150 nan 0.000 0.448 19 Y N 0.379 120.727 120.300 0.081 0.000 2.200 19 Y HA -0.071 4.480 4.550 0.002 0.000 0.290 19 Y C 2.662 178.474 175.900 -0.146 0.000 1.137 19 Y CA 1.304 59.479 58.100 0.125 0.000 1.163 19 Y CB -0.348 38.343 38.460 0.385 0.000 0.988 19 Y HN 0.321 nan 8.280 nan 0.000 0.518 20 A N -0.058 122.555 122.820 -0.344 0.000 1.902 20 A HA -0.181 4.140 4.320 0.002 0.000 0.217 20 A C 1.913 179.178 177.584 -0.531 0.000 1.181 20 A CA 1.938 53.478 52.037 -0.828 0.000 0.623 20 A CB -0.506 17.547 19.000 -1.579 0.000 0.818 20 A HN 0.471 nan 8.150 nan 0.000 0.443 21 M N 0.094 119.390 119.600 -0.506 0.000 2.495 21 M HA 0.213 4.694 4.480 0.002 0.000 0.237 21 M C -0.113 176.069 176.300 -0.198 0.000 1.131 21 M CA 0.323 55.357 55.300 -0.443 0.000 1.032 21 M CB -0.716 31.425 32.600 -0.764 0.000 1.513 21 M HN 0.182 nan 8.290 nan 0.000 0.488 22 S N -0.281 115.342 115.700 -0.128 0.000 2.600 22 S HA 0.427 4.898 4.470 0.002 0.000 0.300 22 S C 0.675 175.306 174.600 0.051 0.000 1.087 22 S CA -0.725 57.493 58.200 0.029 0.000 0.965 22 S CB 2.551 65.775 63.200 0.040 0.000 1.089 22 S HN 0.229 nan 8.310 nan 0.000 0.496 23 E N -0.028 120.221 120.200 0.081 0.000 2.330 23 E HA 0.221 4.572 4.350 0.002 0.000 0.200 23 E C -0.419 176.186 176.600 0.009 0.000 0.922 23 E CA 0.331 56.756 56.400 0.042 0.000 0.935 23 E CB 0.586 30.282 29.700 -0.008 0.000 0.917 23 E HN 0.242 nan 8.360 nan 0.000 0.491 24 V N 0.737 120.667 119.914 0.025 0.000 2.876 24 V HA 0.704 4.825 4.120 0.002 0.000 0.312 24 V C -1.069 175.036 176.094 0.019 0.000 1.085 24 V CA -0.929 61.384 62.300 0.022 0.000 0.945 24 V CB 1.859 33.700 31.823 0.030 0.000 1.017 24 V HN 0.138 nan 8.190 nan 0.000 0.428 25 A N 2.785 125.614 122.820 0.016 0.000 2.398 25 A HA 0.946 5.267 4.320 0.002 0.000 0.301 25 A C -0.540 177.030 177.584 -0.024 0.000 1.041 25 A CA -0.255 51.777 52.037 -0.008 0.000 0.711 25 A CB 1.713 20.750 19.000 0.062 0.000 1.240 25 A HN 1.466 nan 8.150 nan 0.000 0.420 26 A N 2.191 124.970 122.820 -0.068 0.000 2.303 26 A HA 0.780 5.101 4.320 0.002 0.000 0.320 26 A C -0.843 176.681 177.584 -0.100 0.000 1.192 26 A CA -0.241 51.755 52.037 -0.067 0.000 0.821 26 A CB 0.306 19.277 19.000 -0.047 0.000 1.188 26 A HN 0.780 nan 8.150 nan 0.000 0.492 27 I N 1.088 121.591 120.570 -0.111 0.000 2.957 27 I HA 0.704 4.875 4.170 0.002 0.000 0.310 27 I C -1.123 174.943 176.117 -0.085 0.000 1.063 27 I CA -0.687 60.532 61.300 -0.135 0.000 1.033 27 I CB 2.134 39.950 38.000 -0.307 0.000 1.230 27 I HN 0.617 nan 8.210 nan 0.000 0.447 28 Y N 4.940 125.110 120.300 -0.217 0.000 2.474 28 Y HA 0.467 5.018 4.550 0.002 0.000 0.326 28 Y C -2.662 173.154 175.900 -0.140 0.000 1.160 28 Y CA -1.699 56.289 58.100 -0.187 0.000 1.056 28 Y CB 1.874 40.270 38.460 -0.108 0.000 1.330 28 Y HN 0.349 nan 8.280 nan 0.000 0.447 29 P HA 0.463 nan 4.420 nan 0.000 0.276 29 P C -1.023 176.145 177.300 -0.220 0.000 1.235 29 P CA 0.119 62.999 63.100 -0.366 0.000 0.772 29 P CB 1.799 33.210 31.700 -0.481 0.000 0.871 30 I N 1.164 121.680 120.570 -0.091 0.000 2.702 30 I HA 0.125 4.296 4.170 0.002 0.000 0.287 30 I C -0.673 175.406 176.117 -0.063 0.000 1.342 30 I CA -0.295 60.973 61.300 -0.054 0.000 1.063 30 I CB 1.909 39.922 38.000 0.023 0.000 1.331 30 I HN 0.139 nan 8.210 nan 0.000 0.427 31 T N 9.057 123.561 114.554 -0.082 0.000 2.928 31 T HA 0.187 4.538 4.350 0.002 0.000 0.305 31 T C -2.060 172.566 174.700 -0.123 0.000 1.035 31 T CA -0.362 61.680 62.100 -0.098 0.000 1.145 31 T CB 0.542 69.363 68.868 -0.078 0.000 0.963 31 T HN 0.489 nan 8.240 nan 0.000 0.545 32 P HA 0.172 nan 4.420 nan 0.000 0.259 32 P C 0.782 178.019 177.300 -0.105 0.000 1.530 32 P CA -0.164 62.748 63.100 -0.313 0.000 1.022 32 P CB 0.071 31.218 31.700 -0.920 0.000 1.514 33 S N -2.148 113.506 115.700 -0.076 0.000 2.548 33 S HA 0.045 4.516 4.470 0.002 0.000 0.215 33 S C 1.708 176.292 174.600 -0.027 0.000 0.976 33 S CA 0.266 58.452 58.200 -0.025 0.000 0.908 33 S CB -0.827 62.384 63.200 0.019 0.000 0.781 33 S HN -0.034 nan 8.310 nan 0.000 0.519 34 S N 2.113 117.788 115.700 -0.043 0.000 2.400 34 S HA -0.106 4.365 4.470 0.002 0.000 0.232 34 S C 1.876 176.427 174.600 -0.082 0.000 1.025 34 S CA 1.783 59.961 58.200 -0.037 0.000 0.993 34 S CB -0.886 62.284 63.200 -0.051 0.000 0.808 34 S HN 0.721 nan 8.310 nan 0.000 0.478 35 T N 2.625 117.099 114.554 -0.134 0.000 2.720 35 T HA -0.072 4.279 4.350 0.002 0.000 0.268 35 T C 1.791 176.318 174.700 -0.288 0.000 1.037 35 T CA 1.296 63.274 62.100 -0.203 0.000 1.144 35 T CB -0.337 68.395 68.868 -0.227 0.000 0.864 35 T HN 0.374 nan 8.240 nan 0.000 0.444 36 M N 0.709 120.110 119.600 -0.332 0.000 2.065 36 M HA -0.066 4.415 4.480 0.002 0.000 0.259 36 M C 2.820 178.629 176.300 -0.818 0.000 1.069 36 M CA 1.988 56.891 55.300 -0.662 0.000 1.110 36 M CB -0.990 31.097 32.600 -0.855 0.000 1.328 36 M HN 0.395 nan 8.290 nan 0.000 0.405 37 G N 0.051 108.535 108.800 -0.527 0.000 2.440 37 G HA2 -0.216 3.745 3.960 0.002 0.000 0.218 37 G HA3 -0.216 3.745 3.960 0.002 0.000 0.218 37 G C 1.319 176.304 174.900 0.141 0.000 1.154 37 G CA 0.997 46.056 45.100 -0.068 0.000 0.767 37 G HN 0.531 nan 8.290 nan 0.000 0.552 38 E N 0.328 120.546 120.200 0.030 0.000 2.077 38 E HA -0.099 4.252 4.350 0.002 0.000 0.193 38 E C 2.468 178.859 176.600 -0.349 0.000 0.989 38 E CA 0.946 57.222 56.400 -0.206 0.000 0.800 38 E CB -0.070 29.438 29.700 -0.320 0.000 0.746 38 E HN 0.513 nan 8.360 nan 0.000 0.452 39 E N 0.499 120.383 120.200 -0.527 0.000 2.106 39 E HA -0.166 4.185 4.350 0.002 0.000 0.192 39 E C 2.123 177.969 176.600 -1.258 0.000 0.984 39 E CA 0.916 56.703 56.400 -1.021 0.000 0.806 39 E CB -0.089 28.840 29.700 -1.285 0.000 0.750 39 E HN 0.213 nan 8.360 nan 0.000 0.458 40 A N 1.475 123.901 122.820 -0.657 0.000 1.930 40 A HA -0.215 4.106 4.320 0.002 0.000 0.217 40 A C 1.862 179.519 177.584 0.121 0.000 1.175 40 A CA 1.842 53.817 52.037 -0.102 0.000 0.627 40 A CB -0.431 18.677 19.000 0.179 0.000 0.815 40 A HN 0.193 nan 8.150 nan 0.000 0.443 41 D N -0.514 119.936 120.400 0.083 0.000 2.123 41 D HA -0.127 4.514 4.640 0.002 0.000 0.200 41 D C 1.287 177.633 176.300 0.076 0.000 0.976 41 D CA 1.295 55.403 54.000 0.181 0.000 0.831 41 D CB -0.040 40.982 40.800 0.370 0.000 0.974 41 D HN 0.325 nan 8.370 nan 0.000 0.469 42 D N -0.203 120.146 120.400 -0.084 0.000 2.092 42 D HA -0.173 4.468 4.640 0.002 0.000 0.193 42 D C 1.845 178.216 176.300 0.118 0.000 0.994 42 D CA 0.826 54.799 54.000 -0.045 0.000 0.828 42 D CB -0.478 40.241 40.800 -0.134 0.000 0.963 42 D HN 0.438 nan 8.370 nan 0.000 0.450 43 W N 1.422 122.709 121.300 -0.022 0.000 2.342 43 W HA 0.011 4.672 4.660 0.001 0.000 0.297 43 W C 2.535 179.053 176.519 -0.001 0.000 1.213 43 W CA 0.640 57.903 57.345 -0.137 0.000 1.251 43 W CB -1.391 27.796 29.460 -0.455 0.000 1.136 43 W HN -0.015 nan 8.180 nan 0.000 0.526 44 A N 0.700 123.765 122.820 0.408 0.000 1.858 44 A HA -0.022 4.299 4.320 0.002 0.000 0.216 44 A C 2.289 180.032 177.584 0.264 0.000 1.190 44 A CA 2.899 55.192 52.037 0.427 0.000 0.617 44 A CB -1.271 17.963 19.000 0.389 0.000 0.827 44 A HN 0.130 nan 8.150 nan 0.000 0.443 45 A N -0.905 122.040 122.820 0.208 0.000 1.940 45 A HA -0.251 4.070 4.320 0.002 0.000 0.219 45 A C 2.049 179.738 177.584 0.174 0.000 1.176 45 A CA 1.870 54.010 52.037 0.171 0.000 0.631 45 A CB -0.571 18.513 19.000 0.141 0.000 0.814 45 A HN 0.651 nan 8.150 nan 0.000 0.446 46 Q N -1.990 117.912 119.800 0.170 0.000 2.472 46 Q HA 0.231 4.572 4.340 0.002 0.000 0.208 46 Q C 1.171 177.238 176.000 0.113 0.000 0.958 46 Q CA 0.571 56.454 55.803 0.134 0.000 0.932 46 Q CB 0.003 28.814 28.738 0.122 0.000 1.007 46 Q HN 0.937 nan 8.270 nan 0.000 0.508 47 G N 1.194 110.082 108.800 0.146 0.000 2.157 47 G HA2 -0.318 3.643 3.960 0.002 0.000 0.239 47 G HA3 -0.318 3.643 3.960 0.002 0.000 0.239 47 G C 0.040 175.016 174.900 0.126 0.000 0.982 47 G CA 0.007 45.185 45.100 0.130 0.000 0.650 47 G HN 0.300 nan 8.290 nan 0.000 0.527 48 R N 0.461 121.031 120.500 0.117 0.000 2.623 48 R HA 0.407 4.748 4.340 0.002 0.000 0.271 48 R C 0.026 176.505 176.300 0.298 0.000 1.043 48 R CA 0.096 56.232 56.100 0.059 0.000 1.083 48 R CB 0.341 30.513 30.300 -0.214 0.000 0.974 48 R HN -0.027 nan 8.270 nan 0.000 0.436 49 K N 2.784 123.338 120.400 0.256 0.000 2.130 49 K HA 0.173 4.494 4.320 0.002 0.000 0.268 49 K C -0.175 176.690 176.600 0.441 0.000 0.983 49 K CA -0.796 55.678 56.287 0.311 0.000 0.893 49 K CB 1.256 33.862 32.500 0.176 0.000 1.066 49 K HN 0.707 nan 8.250 nan 0.000 0.450 50 N N 0.905 119.787 118.700 0.303 0.000 2.443 50 N HA 0.115 4.856 4.740 0.002 0.000 0.294 50 N C 1.228 176.728 175.510 -0.016 0.000 1.289 50 N CA -0.402 52.722 53.050 0.123 0.000 0.966 50 N CB -0.182 38.282 38.487 -0.038 0.000 1.122 50 N HN 0.603 nan 8.380 nan 0.000 0.569 51 I N -4.580 115.798 120.570 -0.320 0.000 3.083 51 I HA 0.077 4.248 4.170 0.002 0.000 0.273 51 I C 0.371 176.171 176.117 -0.528 0.000 1.297 51 I CA 1.059 62.092 61.300 -0.445 0.000 1.452 51 I CB -0.608 37.013 38.000 -0.630 0.000 1.078 51 I HN 0.200 nan 8.210 nan 0.000 0.484 52 F N 1.965 121.924 119.950 0.015 0.000 2.727 52 F HA 0.426 4.954 4.527 0.002 0.000 0.302 52 F C 1.917 177.741 175.800 0.040 0.000 1.097 52 F CA 0.363 58.377 58.000 0.024 0.000 1.330 52 F CB 0.451 39.460 39.000 0.014 0.000 1.084 52 F HN 0.279 nan 8.300 nan 0.000 0.578 53 G N 0.082 108.976 108.800 0.156 0.000 2.148 53 G HA2 -0.217 3.744 3.960 0.002 0.000 0.254 53 G HA3 -0.217 3.744 3.960 0.002 0.000 0.254 53 G C 0.103 175.095 174.900 0.154 0.000 0.981 53 G CA -0.170 45.013 45.100 0.137 0.000 0.670 53 G HN 0.267 nan 8.290 nan 0.000 0.528 54 Q N 0.278 120.190 119.800 0.187 0.000 2.359 54 Q HA 0.649 4.990 4.340 0.002 0.000 0.275 54 Q C 0.508 176.614 176.000 0.177 0.000 1.082 54 Q CA 0.137 56.037 55.803 0.162 0.000 0.849 54 Q CB 1.485 30.310 28.738 0.146 0.000 1.377 54 Q HN 0.571 nan 8.270 nan 0.000 0.452 55 T N -1.713 112.941 114.554 0.167 0.000 2.909 55 T HA 0.432 4.783 4.350 0.002 0.000 0.289 55 T C 0.297 175.061 174.700 0.107 0.000 1.005 55 T CA -0.835 61.398 62.100 0.220 0.000 1.084 55 T CB 0.647 69.657 68.868 0.237 0.000 0.975 55 T HN 0.377 nan 8.240 nan 0.000 0.509 56 L N 2.638 123.869 121.223 0.013 0.000 2.490 56 L HA 0.264 4.605 4.340 0.002 0.000 0.274 56 L C 0.408 177.300 176.870 0.037 0.000 1.201 56 L CA 0.755 55.531 54.840 -0.106 0.000 0.869 56 L CB 0.296 42.175 42.059 -0.300 0.000 1.123 56 L HN 0.878 nan 8.230 nan 0.000 0.484 57 T N 7.178 121.747 114.554 0.024 0.000 2.727 57 T HA 0.536 4.887 4.350 0.002 0.000 0.298 57 T C -0.088 174.641 174.700 0.048 0.000 0.942 57 T CA -0.017 62.110 62.100 0.046 0.000 0.997 57 T CB -0.230 68.656 68.868 0.030 0.000 0.917 57 T HN 0.405 nan 8.240 nan 0.000 0.487 58 I N 3.717 124.328 120.570 0.069 0.000 2.498 58 I HA 0.611 4.782 4.170 0.002 0.000 0.290 58 I C -0.103 176.038 176.117 0.039 0.000 1.032 58 I CA -1.161 60.177 61.300 0.063 0.000 1.073 58 I CB 1.661 39.730 38.000 0.115 0.000 1.251 58 I HN 0.210 nan 8.210 nan 0.000 0.426 59 R N 3.649 124.147 120.500 -0.002 0.000 2.673 59 R HA 0.395 4.736 4.340 0.002 0.000 0.281 59 R C -0.972 175.279 176.300 -0.080 0.000 0.991 59 R CA -0.849 55.242 56.100 -0.016 0.000 0.896 59 R CB 2.613 32.915 30.300 0.003 0.000 1.201 59 R HN 0.677 nan 8.270 nan 0.000 0.457 60 E N 3.220 123.362 120.200 -0.097 0.000 2.229 60 E HA 0.213 4.564 4.350 0.002 0.000 0.283 60 E C -0.151 176.461 176.600 0.019 0.000 1.030 60 E CA -0.450 55.871 56.400 -0.132 0.000 0.836 60 E CB 0.757 30.366 29.700 -0.152 0.000 1.068 60 E HN 0.201 nan 8.360 nan 0.000 0.401 61 M N 2.453 122.101 119.600 0.081 0.000 2.310 61 M HA 0.032 4.513 4.480 0.002 0.000 0.241 61 M C 1.124 177.545 176.300 0.202 0.000 1.162 61 M CA -0.161 55.196 55.300 0.095 0.000 0.958 61 M CB 0.381 32.993 32.600 0.020 0.000 1.348 61 M HN 0.598 nan 8.290 nan 0.000 0.541 62 Q N 0.704 120.557 119.800 0.088 0.000 2.389 62 Q HA 0.059 4.400 4.340 0.002 0.000 0.204 62 Q C -0.059 175.825 176.000 -0.192 0.000 0.944 62 Q CA 0.648 56.513 55.803 0.104 0.000 0.908 62 Q CB 0.217 28.985 28.738 0.049 0.000 1.002 62 Q HN 0.724 nan 8.270 nan 0.000 0.493 63 S N -1.483 113.868 115.700 -0.582 0.000 2.636 63 S HA 0.327 4.798 4.470 0.002 0.000 0.266 63 S C -0.368 173.796 174.600 -0.727 0.000 1.147 63 S CA -0.447 57.141 58.200 -1.020 0.000 0.815 63 S CB 0.795 63.732 63.200 -0.439 0.000 1.119 63 S HN -0.032 nan 8.310 nan 0.000 0.470 64 E N 0.646 120.538 120.200 -0.514 0.000 2.285 64 E HA 0.219 4.570 4.350 0.002 0.000 0.194 64 E C 2.014 178.528 176.600 -0.144 0.000 0.997 64 E CA 1.162 57.440 56.400 -0.204 0.000 0.845 64 E CB -0.333 29.310 29.700 -0.095 0.000 0.782 64 E HN 0.693 nan 8.360 nan 0.000 0.491 65 A N 0.603 123.337 122.820 -0.143 0.000 1.929 65 A HA -0.007 4.314 4.320 0.002 0.000 0.216 65 A C 2.343 179.891 177.584 -0.059 0.000 1.176 65 A CA 1.475 53.467 52.037 -0.074 0.000 0.628 65 A CB -0.955 18.005 19.000 -0.067 0.000 0.816 65 A HN 0.353 nan 8.150 nan 0.000 0.444 66 G N -0.360 108.382 108.800 -0.097 0.000 2.404 66 G HA2 0.034 3.995 3.960 0.002 0.000 0.215 66 G HA3 0.034 3.995 3.960 0.002 0.000 0.215 66 G C 1.760 176.635 174.900 -0.042 0.000 1.174 66 G CA 1.331 46.394 45.100 -0.062 0.000 0.780 66 G HN 0.743 nan 8.290 nan 0.000 0.537 67 A N 1.200 123.978 122.820 -0.069 0.000 1.908 67 A HA 0.222 4.543 4.320 0.002 0.000 0.218 67 A C 2.792 180.343 177.584 -0.056 0.000 1.181 67 A CA 2.385 54.383 52.037 -0.065 0.000 0.627 67 A CB -0.772 18.174 19.000 -0.090 0.000 0.818 67 A HN 0.797 nan 8.150 nan 0.000 0.445 68 A N -0.684 122.110 122.820 -0.042 0.000 1.969 68 A HA 0.198 4.519 4.320 0.002 0.000 0.218 68 A C 2.361 180.024 177.584 0.132 0.000 1.169 68 A CA 1.741 53.805 52.037 0.045 0.000 0.635 68 A CB -1.217 17.831 19.000 0.080 0.000 0.810 68 A HN 0.688 nan 8.150 nan 0.000 0.445 69 G N -0.394 108.464 108.800 0.095 0.000 2.402 69 G HA2 0.034 3.995 3.960 0.002 0.000 0.216 69 G HA3 0.034 3.995 3.960 0.002 0.000 0.216 69 G C 1.743 176.697 174.900 0.090 0.000 1.162 69 G CA 1.318 46.489 45.100 0.118 0.000 0.777 69 G HN 0.740 nan 8.290 nan 0.000 0.539 70 A N 0.140 122.988 122.820 0.047 0.000 1.902 70 A HA 0.080 4.401 4.320 0.002 0.000 0.217 70 A C 2.607 180.226 177.584 0.059 0.000 1.181 70 A CA 1.784 53.840 52.037 0.030 0.000 0.623 70 A CB -0.669 18.336 19.000 0.008 0.000 0.818 70 A HN 0.245 nan 8.150 nan 0.000 0.443 71 V N -0.256 119.707 119.914 0.082 0.000 2.287 71 V HA -0.333 3.788 4.120 0.002 0.000 0.248 71 V C 2.452 178.672 176.094 0.210 0.000 1.053 71 V CA 2.351 64.726 62.300 0.126 0.000 1.027 71 V CB -1.042 30.866 31.823 0.141 0.000 0.646 71 V HN 0.841 nan 8.190 nan 0.000 0.447 72 H N 0.024 119.168 119.070 0.123 0.000 2.319 72 H HA -0.184 4.373 4.556 0.002 0.000 0.297 72 H C 2.246 177.627 175.328 0.090 0.000 1.097 72 H CA 1.553 57.673 56.048 0.120 0.000 1.285 72 H CB -0.190 29.642 29.762 0.117 0.000 1.368 72 H HN 0.471 nan 8.280 nan 0.000 0.495 73 G N -0.259 108.526 108.800 -0.025 0.000 2.422 73 G HA2 -0.176 3.785 3.960 0.002 0.000 0.218 73 G HA3 -0.176 3.785 3.960 0.002 0.000 0.218 73 G C 1.838 176.729 174.900 -0.015 0.000 1.140 73 G CA 0.590 45.627 45.100 -0.106 0.000 0.775 73 G HN 0.556 nan 8.290 nan 0.000 0.545 74 A N 0.397 123.242 122.820 0.042 0.000 1.969 74 A HA 0.197 4.518 4.320 0.002 0.000 0.218 74 A C 2.384 180.039 177.584 0.118 0.000 1.169 74 A CA 0.927 52.999 52.037 0.059 0.000 0.635 74 A CB -0.279 18.761 19.000 0.067 0.000 0.810 74 A HN 0.349 nan 8.150 nan 0.000 0.445 75 L N -0.874 120.457 121.223 0.179 0.000 2.044 75 L HA -0.131 4.210 4.340 0.002 0.000 0.205 75 L C 3.080 180.113 176.870 0.272 0.000 1.075 75 L CA 1.009 56.030 54.840 0.301 0.000 0.747 75 L CB -0.499 41.719 42.059 0.266 0.000 0.903 75 L HN 0.406 nan 8.230 nan 0.000 0.435 76 A N 0.003 122.921 122.820 0.163 0.000 1.972 76 A HA -0.086 4.235 4.320 0.002 0.000 0.219 76 A C 2.078 179.673 177.584 0.019 0.000 1.169 76 A CA 1.584 53.681 52.037 0.100 0.000 0.635 76 A CB -0.555 18.445 19.000 -0.001 0.000 0.810 76 A HN 0.378 nan 8.150 nan 0.000 0.446 77 A N -1.304 121.508 122.820 -0.013 0.000 2.476 77 A HA 0.459 4.780 4.320 0.002 0.000 0.263 77 A C 1.447 178.957 177.584 -0.124 0.000 1.342 77 A CA 0.795 52.792 52.037 -0.067 0.000 0.926 77 A CB -1.316 17.649 19.000 -0.057 0.000 1.019 77 A HN 1.864 nan 8.150 nan 0.000 0.515 78 G N -1.568 107.099 108.800 -0.222 0.000 2.176 78 G HA2 0.095 4.056 3.960 0.002 0.000 0.252 78 G HA3 0.095 4.056 3.960 0.002 0.000 0.252 78 G C 0.273 175.057 174.900 -0.193 0.000 1.024 78 G CA 0.382 45.133 45.100 -0.582 0.000 0.755 78 G HN 1.696 nan 8.290 nan 0.000 0.507 79 A N -0.117 122.774 122.820 0.117 0.000 2.317 79 A HA 0.801 5.122 4.320 0.002 0.000 0.327 79 A C 0.464 178.238 177.584 0.317 0.000 1.178 79 A CA -0.663 51.471 52.037 0.162 0.000 0.817 79 A CB 0.867 19.907 19.000 0.067 0.000 1.189 79 A HN 0.748 nan 8.150 nan 0.000 0.489 80 L N 2.275 123.647 121.223 0.248 0.000 2.410 80 L HA 0.323 4.664 4.340 0.002 0.000 0.273 80 L C 0.144 177.082 176.870 0.113 0.000 1.144 80 L CA 0.350 55.274 54.840 0.140 0.000 0.863 80 L CB 0.638 42.782 42.059 0.143 0.000 1.140 80 L HN 0.754 nan 8.230 nan 0.000 0.463 81 T N 1.125 115.735 114.554 0.094 0.000 2.909 81 T HA 0.672 5.023 4.350 0.002 0.000 0.299 81 T C -0.304 174.448 174.700 0.085 0.000 1.073 81 T CA -0.680 61.472 62.100 0.086 0.000 0.999 81 T CB 2.196 71.123 68.868 0.098 0.000 1.098 81 T HN 0.650 nan 8.240 nan 0.000 0.477 82 T N -0.719 113.852 114.554 0.028 0.000 2.841 82 T HA 0.860 5.211 4.350 0.002 0.000 0.296 82 T C -0.656 173.856 174.700 -0.313 0.000 1.166 82 T CA -0.900 61.174 62.100 -0.044 0.000 1.007 82 T CB 2.132 70.956 68.868 -0.073 0.000 1.253 82 T HN 0.664 nan 8.240 nan 0.000 0.511 83 T N -0.301 113.931 114.554 -0.537 0.000 2.792 83 T HA 0.695 5.046 4.350 0.002 0.000 0.303 83 T C -2.125 172.051 174.700 -0.873 0.000 1.310 83 T CA -0.763 60.888 62.100 -0.749 0.000 1.007 83 T CB 1.013 69.517 68.868 -0.607 0.000 1.335 83 T HN 0.517 nan 8.240 nan 0.000 0.504 84 F N 1.243 121.169 119.950 -0.040 0.000 2.539 84 F HA 0.718 5.246 4.527 0.002 0.000 0.318 84 F C 0.583 176.353 175.800 -0.049 0.000 1.135 84 F CA -0.589 57.428 58.000 0.029 0.000 0.915 84 F CB 2.552 41.587 39.000 0.058 0.000 1.176 84 F HN 0.616 nan 8.300 nan 0.000 0.440 85 T N 1.248 115.856 114.554 0.091 0.000 2.649 85 T HA 0.891 5.242 4.350 0.002 0.000 0.305 85 T C -1.889 172.804 174.700 -0.012 0.000 1.409 85 T CA -0.225 61.883 62.100 0.012 0.000 1.021 85 T CB 1.561 70.391 68.868 -0.064 0.000 1.726 85 T HN 1.150 nan 8.240 nan 0.000 0.475 86 A N 0.191 122.995 122.820 -0.026 0.000 2.549 86 A HA 0.740 5.061 4.320 0.002 0.000 0.291 86 A C 0.440 178.004 177.584 -0.033 0.000 1.034 86 A CA 0.725 52.733 52.037 -0.048 0.000 0.655 86 A CB 0.303 19.269 19.000 -0.057 0.000 1.299 86 A HN 2.152 nan 8.150 nan 0.000 0.427 87 S N -0.688 114.986 115.700 -0.043 0.000 4.050 87 S HA -0.337 4.134 4.470 0.002 0.000 0.602 87 S C 1.603 176.196 174.600 -0.011 0.000 2.030 87 S CA 2.269 60.453 58.200 -0.027 0.000 4.208 87 S CB -1.108 62.080 63.200 -0.020 0.000 0.290 87 S HN 1.447 nan 8.310 nan 0.000 0.615 88 Q N 0.969 120.774 119.800 0.007 0.000 2.197 88 Q HA -0.069 4.272 4.340 0.002 0.000 0.207 88 Q C 2.346 178.365 176.000 0.031 0.000 0.984 88 Q CA 2.102 57.920 55.803 0.026 0.000 0.869 88 Q CB -1.411 27.361 28.738 0.056 0.000 0.906 88 Q HN 0.824 nan 8.270 nan 0.000 0.426 89 G N 0.984 109.807 108.800 0.037 0.000 2.402 89 G HA2 -0.210 3.751 3.960 0.002 0.000 0.216 89 G HA3 -0.210 3.751 3.960 0.002 0.000 0.216 89 G C 1.489 176.385 174.900 -0.008 0.000 1.162 89 G CA 0.729 45.849 45.100 0.033 0.000 0.777 89 G HN 0.343 nan 8.290 nan 0.000 0.539 90 L N 0.576 121.788 121.223 -0.018 0.000 2.093 90 L HA 0.151 4.492 4.340 0.002 0.000 0.208 90 L C 2.660 179.514 176.870 -0.026 0.000 1.085 90 L CA 1.220 56.044 54.840 -0.028 0.000 0.755 90 L CB -0.361 41.670 42.059 -0.047 0.000 0.904 90 L HN 0.201 nan 8.230 nan 0.000 0.435 91 L N -1.124 120.086 121.223 -0.021 0.000 2.127 91 L HA -0.239 4.102 4.340 0.002 0.000 0.211 91 L C 2.397 179.264 176.870 -0.005 0.000 1.089 91 L CA 1.114 55.946 54.840 -0.014 0.000 0.757 91 L CB -0.670 41.386 42.059 -0.005 0.000 0.899 91 L HN 0.307 nan 8.230 nan 0.000 0.434 92 L N -0.989 120.230 121.223 -0.008 0.000 2.291 92 L HA -0.133 4.208 4.340 0.002 0.000 0.214 92 L C 2.384 179.251 176.870 -0.005 0.000 1.120 92 L CA 0.869 55.701 54.840 -0.013 0.000 0.799 92 L CB -0.304 41.733 42.059 -0.037 0.000 0.925 92 L HN 0.370 nan 8.230 nan 0.000 0.446 93 M N -0.898 118.703 119.600 0.002 0.000 2.541 93 M HA -0.035 4.446 4.480 0.002 0.000 0.252 93 M C 2.094 178.420 176.300 0.043 0.000 1.125 93 M CA 0.833 56.160 55.300 0.044 0.000 1.091 93 M CB -0.022 32.638 32.600 0.099 0.000 1.420 93 M HN 0.193 nan 8.290 nan 0.000 0.486 94 I N 1.081 121.657 120.570 0.010 0.000 2.113 94 I HA -0.290 3.881 4.170 0.002 0.000 0.242 94 I C -0.579 175.620 176.117 0.136 0.000 1.064 94 I CA 2.015 63.324 61.300 0.015 0.000 1.320 94 I CB -1.917 36.105 38.000 0.036 0.000 1.028 94 I HN 0.158 nan 8.210 nan 0.000 0.406 95 P HA -0.159 nan 4.420 nan 0.000 0.215 95 P C 1.239 178.638 177.300 0.165 0.000 1.157 95 P CA 1.544 64.746 63.100 0.171 0.000 0.874 95 P CB -0.128 31.617 31.700 0.074 0.000 0.790 96 N N -1.394 117.374 118.700 0.114 0.000 2.381 96 N HA -0.034 4.707 4.740 0.002 0.000 0.182 96 N C 1.611 177.167 175.510 0.076 0.000 1.025 96 N CA 0.987 54.095 53.050 0.096 0.000 0.888 96 N CB -0.336 38.237 38.487 0.143 0.000 0.965 96 N HN 0.214 nan 8.380 nan 0.000 0.438 97 M N -0.715 118.906 119.600 0.035 0.000 2.213 97 M HA -0.163 4.318 4.480 0.002 0.000 0.263 97 M C 1.535 177.874 176.300 0.065 0.000 1.062 97 M CA 1.326 56.587 55.300 -0.066 0.000 1.105 97 M CB -0.348 31.899 32.600 -0.588 0.000 1.385 97 M HN 0.122 nan 8.290 nan 0.000 0.417 98 Y N 0.456 120.763 120.300 0.011 0.000 2.224 98 Y HA -0.209 4.342 4.550 0.002 0.000 0.289 98 Y C 2.533 178.432 175.900 -0.001 0.000 1.146 98 Y CA 1.166 59.280 58.100 0.024 0.000 1.182 98 Y CB -0.194 38.271 38.460 0.008 0.000 0.983 98 Y HN 0.054 nan 8.280 nan 0.000 0.524 99 K N 0.228 120.687 120.400 0.099 0.000 2.057 99 K HA -0.130 4.191 4.320 0.002 0.000 0.206 99 K C 1.998 178.479 176.600 -0.197 0.000 1.050 99 K CA 1.370 57.608 56.287 -0.082 0.000 0.935 99 K CB -0.568 31.780 32.500 -0.252 0.000 0.715 99 K HN 0.383 nan 8.250 nan 0.000 0.439 100 I N 1.383 121.827 120.570 -0.209 0.000 2.226 100 I HA -0.280 3.891 4.170 0.002 0.000 0.245 100 I C 2.477 178.514 176.117 -0.133 0.000 1.100 100 I CA 1.475 62.686 61.300 -0.149 0.000 1.374 100 I CB -0.295 37.709 38.000 0.008 0.000 1.057 100 I HN 0.149 nan 8.210 nan 0.000 0.413 101 S N 0.479 116.132 115.700 -0.078 0.000 2.395 101 S HA -0.006 4.465 4.470 0.002 0.000 0.225 101 S C 2.184 176.783 174.600 -0.003 0.000 1.027 101 S CA 0.670 58.807 58.200 -0.105 0.000 0.965 101 S CB -1.053 62.151 63.200 0.007 0.000 0.812 101 S HN 0.436 nan 8.310 nan 0.000 0.482 102 G N 1.346 110.168 108.800 0.037 0.000 2.448 102 G HA2 -0.104 3.857 3.960 0.002 0.000 0.219 102 G HA3 -0.104 3.857 3.960 0.002 0.000 0.219 102 G C 1.229 176.135 174.900 0.011 0.000 1.127 102 G CA 0.584 45.714 45.100 0.050 0.000 0.766 102 G HN 0.649 nan 8.290 nan 0.000 0.552 103 E N -0.241 119.954 120.200 -0.008 0.000 2.463 103 E HA 0.321 4.672 4.350 0.002 0.000 0.193 103 E C 0.240 176.808 176.600 -0.055 0.000 1.041 103 E CA -0.462 55.939 56.400 0.002 0.000 0.879 103 E CB 0.062 29.814 29.700 0.087 0.000 0.997 103 E HN 0.271 nan 8.360 nan 0.000 0.478 104 L N 1.426 122.579 121.223 -0.117 0.000 3.823 104 L HA -0.236 4.105 4.340 0.002 0.000 0.525 104 L C -0.762 176.025 176.870 -0.138 0.000 1.247 104 L CA 0.265 54.983 54.840 -0.204 0.000 0.776 104 L CB -1.376 40.460 42.059 -0.372 0.000 1.443 104 L HN 0.272 nan 8.230 nan 0.000 0.831 105 L N 2.570 123.715 121.223 -0.130 0.000 2.329 105 L HA 0.466 4.807 4.340 0.002 0.000 0.279 105 L C -1.412 175.333 176.870 -0.208 0.000 1.014 105 L CA -1.598 53.198 54.840 -0.073 0.000 0.814 105 L CB 1.760 43.846 42.059 0.044 0.000 1.257 105 L HN -0.071 nan 8.230 nan 0.000 0.424 106 P HA 0.053 nan 4.420 nan 0.000 0.237 106 P C 0.326 177.458 177.300 -0.279 0.000 1.723 106 P CA -0.036 62.856 63.100 -0.346 0.000 0.882 106 P CB -0.025 31.359 31.700 -0.526 0.000 1.810 107 G N -0.048 108.619 108.800 -0.222 0.000 2.527 107 G HA2 0.368 4.329 3.960 0.002 0.000 0.248 107 G HA3 0.368 4.329 3.960 0.002 0.000 0.248 107 G C -0.673 174.158 174.900 -0.115 0.000 1.231 107 G CA -0.134 44.910 45.100 -0.093 0.000 0.838 107 G HN 0.131 nan 8.290 nan 0.000 0.570 108 V N 1.957 121.863 119.914 -0.013 0.000 2.482 108 V HA 0.358 4.479 4.120 0.002 0.000 0.295 108 V C -0.729 175.413 176.094 0.081 0.000 1.026 108 V CA -0.555 61.665 62.300 -0.133 0.000 0.856 108 V CB 1.138 32.562 31.823 -0.665 0.000 1.001 108 V HN 0.653 nan 8.190 nan 0.000 0.424 109 F N 3.197 123.062 119.950 -0.141 0.000 2.415 109 F HA 0.521 5.049 4.527 0.002 0.000 0.348 109 F C 0.411 176.087 175.800 -0.207 0.000 1.119 109 F CA -0.721 57.206 58.000 -0.122 0.000 1.069 109 F CB 1.337 40.328 39.000 -0.014 0.000 1.124 109 F HN 0.546 nan 8.300 nan 0.000 0.472 110 H N 2.068 121.297 119.070 0.265 0.000 2.541 110 H HA 0.444 5.001 4.556 0.002 0.000 0.316 110 H C -0.651 174.790 175.328 0.188 0.000 1.043 110 H CA -0.639 55.614 56.048 0.341 0.000 1.232 110 H CB 1.818 31.926 29.762 0.576 0.000 1.406 110 H HN 0.388 nan 8.280 nan 0.000 0.469 111 V N 2.951 122.938 119.914 0.121 0.000 2.540 111 V HA 0.484 4.605 4.120 0.002 0.000 0.302 111 V C -0.001 175.859 176.094 -0.389 0.000 1.035 111 V CA -0.670 61.594 62.300 -0.061 0.000 0.873 111 V CB 1.915 33.720 31.823 -0.030 0.000 0.992 111 V HN 0.902 nan 8.190 nan 0.000 0.428 112 T N 4.239 118.555 114.554 -0.396 0.000 2.875 112 T HA 0.704 5.055 4.350 0.002 0.000 0.307 112 T C 0.338 174.897 174.700 -0.234 0.000 1.013 112 T CA 0.202 61.988 62.100 -0.524 0.000 0.970 112 T CB 0.474 69.136 68.868 -0.343 0.000 0.986 112 T HN 1.741 nan 8.240 nan 0.000 0.536 113 A N 4.364 127.091 122.820 -0.155 0.000 2.545 113 A HA 0.449 4.770 4.320 0.002 0.000 0.253 113 A C 0.663 178.249 177.584 0.003 0.000 1.074 113 A CA -0.353 51.660 52.037 -0.040 0.000 0.760 113 A CB -0.089 18.966 19.000 0.091 0.000 1.005 113 A HN 1.000 nan 8.150 nan 0.000 0.506 114 R N 2.526 123.015 120.500 -0.017 0.000 2.771 114 R HA 0.632 4.973 4.340 0.002 0.000 0.274 114 R C -0.170 176.134 176.300 0.007 0.000 0.987 114 R CA -0.259 55.848 56.100 0.012 0.000 0.908 114 R CB 1.523 31.816 30.300 -0.011 0.000 1.213 114 R HN 0.954 nan 8.270 nan 0.000 0.468 115 A N 4.244 127.080 122.820 0.028 0.000 2.561 115 A HA 0.185 4.506 4.320 0.002 0.000 0.234 115 A C 0.288 177.876 177.584 0.007 0.000 1.055 115 A CA 0.009 52.059 52.037 0.022 0.000 0.756 115 A CB 0.019 19.047 19.000 0.047 0.000 0.986 115 A HN 0.523 nan 8.150 nan 0.000 0.505 116 I N 1.133 121.706 120.570 0.005 0.000 2.532 116 I HA 0.325 4.495 4.170 0.002 0.000 0.292 116 I C 1.047 177.159 176.117 -0.009 0.000 1.014 116 I CA -0.166 61.133 61.300 -0.001 0.000 1.340 116 I CB 1.115 39.116 38.000 0.002 0.000 1.422 116 I HN 0.729 nan 8.210 nan 0.000 0.528 117 A N 4.565 127.372 122.820 -0.021 0.000 2.396 117 A HA 0.574 4.895 4.320 0.002 0.000 0.279 117 A C 0.463 178.025 177.584 -0.038 0.000 1.165 117 A CA 0.392 52.401 52.037 -0.046 0.000 0.824 117 A CB 0.118 19.092 19.000 -0.043 0.000 1.100 117 A HN 0.980 nan 8.150 nan 0.000 0.516 118 A N 2.212 125.002 122.820 -0.049 0.000 2.085 118 A HA 0.360 4.681 4.320 0.002 0.000 0.202 118 A C 1.662 179.256 177.584 0.017 0.000 2.124 118 A CA 0.542 52.589 52.037 0.017 0.000 1.584 118 A CB -0.543 18.505 19.000 0.080 0.000 1.136 118 A HN 1.025 nan 8.150 nan 0.000 0.493 119 H N 0.431 119.521 119.070 0.033 0.000 2.457 119 H HA 0.402 4.959 4.556 0.002 0.000 0.294 119 H C 0.391 175.762 175.328 0.070 0.000 1.064 119 H CA 1.493 57.574 56.048 0.056 0.000 1.330 119 H CB -0.270 29.527 29.762 0.059 0.000 1.395 119 H HN 0.710 nan 8.280 nan 0.000 0.541 120 A N 0.675 123.064 122.820 -0.719 0.000 2.612 120 A HA 0.492 4.813 4.320 0.002 0.000 0.293 120 A C -1.154 176.253 177.584 -0.295 0.000 1.075 120 A CA -0.767 51.000 52.037 -0.450 0.000 0.680 120 A CB 1.184 19.882 19.000 -0.503 0.000 1.279 120 A HN 0.284 nan 8.150 nan 0.000 0.411 121 L N 0.934 122.073 121.223 -0.141 0.000 2.418 121 L HA 0.747 5.088 4.340 0.002 0.000 0.265 121 L C 0.204 177.043 176.870 -0.052 0.000 1.143 121 L CA 0.122 54.915 54.840 -0.079 0.000 0.809 121 L CB 1.447 43.482 42.059 -0.040 0.000 1.124 121 L HN 0.827 nan 8.230 nan 0.000 0.456 122 S N 3.214 118.905 115.700 -0.014 0.000 2.548 122 S HA 0.375 4.846 4.470 0.002 0.000 0.276 122 S C 0.333 174.941 174.600 0.013 0.000 1.129 122 S CA -0.828 57.406 58.200 0.057 0.000 0.931 122 S CB 1.302 64.570 63.200 0.113 0.000 1.068 122 S HN 0.663 nan 8.310 nan 0.000 0.480 123 I N 1.000 121.519 120.570 -0.085 0.000 3.684 123 I HA 0.431 4.602 4.170 0.002 0.000 0.304 123 I C -0.347 175.631 176.117 -0.231 0.000 1.278 123 I CA -0.146 61.026 61.300 -0.215 0.000 1.272 123 I CB -0.216 37.585 38.000 -0.332 0.000 1.029 123 I HN 0.294 nan 8.210 nan 0.000 0.458 124 F N 2.143 122.147 119.950 0.090 0.000 2.368 124 F HA 0.617 5.145 4.527 0.002 0.000 0.315 124 F C 1.459 177.334 175.800 0.126 0.000 1.145 124 F CA -0.480 57.596 58.000 0.127 0.000 1.095 124 F CB 0.416 39.406 39.000 -0.017 0.000 1.286 124 F HN -0.128 nan 8.300 nan 0.000 0.530 125 G N 0.692 109.721 108.800 0.381 0.000 2.355 125 G HA2 0.481 4.442 3.960 0.002 0.000 0.276 125 G HA3 0.481 4.442 3.960 0.002 0.000 0.276 125 G C -1.349 173.592 174.900 0.068 0.000 1.198 125 G CA -0.169 45.055 45.100 0.207 0.000 0.876 125 G HN 0.701 nan 8.290 nan 0.000 0.478 126 D N -0.942 119.464 120.400 0.010 0.000 2.713 126 D HA 0.111 4.752 4.640 0.002 0.000 0.306 126 D C -0.236 176.043 176.300 -0.036 0.000 1.299 126 D CA -0.781 53.133 54.000 -0.144 0.000 0.823 126 D CB 0.273 40.977 40.800 -0.161 0.000 1.353 126 D HN 0.403 nan 8.370 nan 0.000 0.447 127 H N -0.674 118.305 119.070 -0.150 0.000 2.505 127 H HA 0.204 4.761 4.556 0.002 0.000 0.289 127 H C 0.804 176.019 175.328 -0.187 0.000 1.052 127 H CA -0.120 55.754 56.048 -0.291 0.000 1.156 127 H CB 0.597 30.055 29.762 -0.507 0.000 1.507 127 H HN 0.272 nan 8.280 nan 0.000 0.548 128 Q N 0.944 120.762 119.800 0.030 0.000 2.135 128 Q HA -0.177 4.164 4.340 0.002 0.000 0.204 128 Q C 1.651 177.653 176.000 0.003 0.000 0.981 128 Q CA 1.712 57.545 55.803 0.051 0.000 0.856 128 Q CB 0.097 28.849 28.738 0.025 0.000 0.902 128 Q HN 0.669 nan 8.270 nan 0.000 0.425 129 D N 0.742 121.108 120.400 -0.057 0.000 2.137 129 D HA -0.152 4.489 4.640 0.002 0.000 0.202 129 D C 1.886 178.084 176.300 -0.170 0.000 0.970 129 D CA 1.001 54.948 54.000 -0.089 0.000 0.837 129 D CB -0.448 40.301 40.800 -0.085 0.000 0.981 129 D HN 0.449 nan 8.370 nan 0.000 0.475 130 I N -2.062 118.315 120.570 -0.321 0.000 2.315 130 I HA -0.102 4.069 4.170 0.002 0.000 0.248 130 I C 2.325 178.225 176.117 -0.362 0.000 1.117 130 I CA 0.881 61.874 61.300 -0.512 0.000 1.404 130 I CB -1.164 36.184 38.000 -1.087 0.000 1.071 130 I HN -0.133 nan 8.210 nan 0.000 0.419 131 Y N 1.310 121.454 120.300 -0.261 0.000 2.421 131 Y HA 0.021 4.572 4.550 0.002 0.000 0.292 131 Y C 2.683 178.522 175.900 -0.102 0.000 1.136 131 Y CA 0.384 58.384 58.100 -0.165 0.000 1.255 131 Y CB -0.173 38.210 38.460 -0.127 0.000 0.991 131 Y HN 0.287 nan 8.280 nan 0.000 0.552 132 A N -0.206 122.637 122.820 0.039 0.000 2.121 132 A HA 0.053 4.374 4.320 0.002 0.000 0.218 132 A C 1.991 179.556 177.584 -0.033 0.000 1.154 132 A CA 1.355 53.396 52.037 0.006 0.000 0.679 132 A CB -0.543 18.451 19.000 -0.010 0.000 0.795 132 A HN 0.331 nan 8.150 nan 0.000 0.458 133 A N -0.075 122.695 122.820 -0.084 0.000 2.465 133 A HA 0.245 4.566 4.320 0.002 0.000 0.255 133 A C 1.717 179.219 177.584 -0.137 0.000 1.274 133 A CA 0.349 52.291 52.037 -0.159 0.000 0.920 133 A CB -0.329 18.524 19.000 -0.245 0.000 1.033 133 A HN 0.622 nan 8.150 nan 0.000 0.516 134 R N 0.427 120.915 120.500 -0.020 0.000 2.241 134 R HA -0.131 4.210 4.340 0.002 0.000 0.224 134 R C 1.251 177.541 176.300 -0.017 0.000 1.101 134 R CA 1.494 57.626 56.100 0.054 0.000 0.995 134 R CB -0.205 30.241 30.300 0.244 0.000 0.870 134 R HN 0.521 nan 8.270 nan 0.000 0.463 135 Q N 1.233 120.995 119.800 -0.062 0.000 2.280 135 Q HA 0.012 4.353 4.340 0.002 0.000 0.201 135 Q C 0.945 176.798 176.000 -0.244 0.000 0.890 135 Q CA 1.053 56.811 55.803 -0.076 0.000 0.947 135 Q CB 0.411 29.161 28.738 0.021 0.000 1.081 135 Q HN 0.419 nan 8.270 nan 0.000 0.502 136 T N -2.891 111.385 114.554 -0.464 0.000 3.072 136 T HA 0.185 4.536 4.350 0.002 0.000 0.266 136 T C 1.465 175.977 174.700 -0.315 0.000 1.127 136 T CA 0.990 62.575 62.100 -0.859 0.000 1.107 136 T CB -0.175 68.245 68.868 -0.747 0.000 0.910 136 T HN 0.541 nan 8.240 nan 0.000 0.513 137 G N 0.385 109.121 108.800 -0.107 0.000 2.175 137 G HA2 -0.186 3.775 3.960 0.002 0.000 0.244 137 G HA3 -0.186 3.775 3.960 0.002 0.000 0.244 137 G C -0.140 174.869 174.900 0.181 0.000 0.982 137 G CA -0.279 44.857 45.100 0.060 0.000 0.641 137 G HN 0.489 nan 8.290 nan 0.000 0.527 138 F N 1.763 121.605 119.950 -0.179 0.000 2.418 138 F HA 0.662 5.190 4.527 0.002 0.000 0.341 138 F C 1.121 176.770 175.800 -0.252 0.000 1.120 138 F CA -0.300 57.550 58.000 -0.249 0.000 1.232 138 F CB 1.041 39.842 39.000 -0.332 0.000 1.175 138 F HN 0.342 nan 8.300 nan 0.000 0.569 139 A N 4.571 127.157 122.820 -0.390 0.000 2.386 139 A HA 0.587 4.908 4.320 0.002 0.000 0.248 139 A C -0.422 176.953 177.584 -0.349 0.000 1.082 139 A CA -0.297 51.384 52.037 -0.594 0.000 0.789 139 A CB 0.103 18.133 19.000 -1.617 0.000 1.025 139 A HN 0.759 nan 8.150 nan 0.000 0.490 140 M N 2.299 121.841 119.600 -0.096 0.000 2.204 140 M HA 0.431 4.912 4.480 0.002 0.000 0.293 140 M C -1.178 175.283 176.300 0.269 0.000 0.994 140 M CA 0.125 55.543 55.300 0.195 0.000 0.925 140 M CB 1.901 34.698 32.600 0.328 0.000 1.577 140 M HN 0.571 nan 8.290 nan 0.000 0.439 141 L N 2.735 124.148 121.223 0.317 0.000 2.404 141 L HA 0.814 5.155 4.340 0.002 0.000 0.272 141 L C -0.839 175.983 176.870 -0.080 0.000 0.980 141 L CA -0.424 54.519 54.840 0.172 0.000 0.836 141 L CB 1.620 43.843 42.059 0.273 0.000 1.238 141 L HN 0.894 nan 8.230 nan 0.000 0.408 142 A N 3.071 125.665 122.820 -0.376 0.000 2.310 142 A HA 0.701 5.022 4.320 0.002 0.000 0.299 142 A C -0.093 177.329 177.584 -0.270 0.000 1.147 142 A CA -0.368 51.184 52.037 -0.809 0.000 0.818 142 A CB 0.983 19.543 19.000 -0.733 0.000 1.096 142 A HN 0.708 nan 8.150 nan 0.000 0.495 143 S N 0.796 116.411 115.700 -0.143 0.000 2.472 143 S HA 0.527 4.998 4.470 0.002 0.000 0.303 143 S C 0.391 175.024 174.600 0.054 0.000 1.099 143 S CA 0.084 58.301 58.200 0.029 0.000 1.077 143 S CB 1.555 64.872 63.200 0.195 0.000 1.031 143 S HN 1.336 nan 8.310 nan 0.000 0.487 144 S N 0.591 116.337 115.700 0.077 0.000 2.554 144 S HA 0.423 4.894 4.470 0.002 0.000 0.226 144 S C 0.367 175.048 174.600 0.136 0.000 0.980 144 S CA 0.085 58.360 58.200 0.125 0.000 0.939 144 S CB -0.682 62.596 63.200 0.130 0.000 0.832 144 S HN 1.316 nan 8.310 nan 0.000 0.486 145 S N -0.906 114.863 115.700 0.115 0.000 2.615 145 S HA 0.527 4.998 4.470 0.002 0.000 0.269 145 S C 0.579 175.218 174.600 0.066 0.000 1.161 145 S CA -0.350 57.911 58.200 0.102 0.000 0.817 145 S CB 0.841 64.099 63.200 0.096 0.000 1.131 145 S HN -0.012 nan 8.310 nan 0.000 0.467 146 V N 1.218 121.167 119.914 0.058 0.000 2.332 146 V HA -0.180 3.941 4.120 0.002 0.000 0.248 146 V C 2.890 178.998 176.094 0.024 0.000 1.055 146 V CA 2.607 64.918 62.300 0.019 0.000 1.038 146 V CB -1.094 30.753 31.823 0.041 0.000 0.651 146 V HN 0.982 nan 8.190 nan 0.000 0.450 147 Q N 0.502 120.338 119.800 0.060 0.000 2.119 147 Q HA -0.191 4.150 4.340 0.002 0.000 0.201 147 Q C 2.060 178.135 176.000 0.125 0.000 0.972 147 Q CA 1.826 57.678 55.803 0.081 0.000 0.847 147 Q CB -0.314 28.481 28.738 0.095 0.000 0.903 147 Q HN 0.690 nan 8.270 nan 0.000 0.433 148 E N -0.652 119.616 120.200 0.113 0.000 2.204 148 E HA -0.105 4.246 4.350 0.002 0.000 0.194 148 E C 1.729 178.330 176.600 0.002 0.000 0.989 148 E CA 0.627 57.067 56.400 0.067 0.000 0.824 148 E CB -0.078 29.659 29.700 0.063 0.000 0.756 148 E HN 0.513 nan 8.360 nan 0.000 0.477 149 A N 1.316 124.138 122.820 0.002 0.000 1.898 149 A HA -0.215 4.106 4.320 0.002 0.000 0.216 149 A C 2.058 179.632 177.584 -0.018 0.000 1.181 149 A CA 1.475 53.483 52.037 -0.048 0.000 0.620 149 A CB -0.658 18.098 19.000 -0.407 0.000 0.819 149 A HN 0.349 nan 8.150 nan 0.000 0.442 150 H N 0.360 119.393 119.070 -0.061 0.000 2.321 150 H HA -0.141 4.416 4.556 0.002 0.000 0.300 150 H C 1.254 176.557 175.328 -0.042 0.000 1.087 150 H CA 1.994 58.032 56.048 -0.017 0.000 1.319 150 H CB -0.244 29.524 29.762 0.010 0.000 1.379 150 H HN 0.375 nan 8.280 nan 0.000 0.501 151 D N 0.454 120.917 120.400 0.105 0.000 2.117 151 D HA -0.125 4.516 4.640 0.002 0.000 0.197 151 D C 2.405 178.581 176.300 -0.207 0.000 0.987 151 D CA 0.878 54.890 54.000 0.021 0.000 0.829 151 D CB -0.118 40.769 40.800 0.144 0.000 0.961 151 D HN 0.357 nan 8.370 nan 0.000 0.460 152 M N 0.385 119.799 119.600 -0.311 0.000 2.254 152 M HA 0.081 4.562 4.480 0.002 0.000 0.265 152 M C 2.237 178.206 176.300 -0.553 0.000 1.066 152 M CA 0.451 55.509 55.300 -0.403 0.000 1.123 152 M CB -0.947 31.456 32.600 -0.328 0.000 1.388 152 M HN -0.047 nan 8.290 nan 0.000 0.425 153 A N 0.580 122.998 122.820 -0.669 0.000 1.908 153 A HA -0.159 4.162 4.320 0.002 0.000 0.218 153 A C 2.308 179.850 177.584 -0.070 0.000 1.181 153 A CA 1.342 53.174 52.037 -0.341 0.000 0.627 153 A CB -0.932 18.018 19.000 -0.084 0.000 0.818 153 A HN 0.462 nan 8.150 nan 0.000 0.445 154 L N -0.365 120.740 121.223 -0.197 0.000 2.056 154 L HA -0.123 4.218 4.340 0.002 0.000 0.207 154 L C 2.483 179.238 176.870 -0.192 0.000 1.078 154 L CA 1.273 56.008 54.840 -0.174 0.000 0.749 154 L CB -0.243 41.683 42.059 -0.222 0.000 0.901 154 L HN 0.271 nan 8.230 nan 0.000 0.433 155 V N 0.146 119.934 119.914 -0.210 0.000 2.343 155 V HA -0.299 3.822 4.120 0.002 0.000 0.247 155 V C 2.760 178.604 176.094 -0.416 0.000 1.051 155 V CA 1.733 63.890 62.300 -0.239 0.000 1.036 155 V CB -0.855 30.878 31.823 -0.149 0.000 0.654 155 V HN 0.564 nan 8.190 nan 0.000 0.451 156 A N -1.340 121.232 122.820 -0.412 0.000 1.898 156 A HA -0.233 4.088 4.320 0.002 0.000 0.216 156 A C 2.138 179.283 177.584 -0.731 0.000 1.181 156 A CA 1.664 53.279 52.037 -0.704 0.000 0.620 156 A CB -0.753 18.080 19.000 -0.279 0.000 0.819 156 A HN 0.655 nan 8.150 nan 0.000 0.442 157 H N -0.262 118.579 119.070 -0.381 0.000 2.321 157 H HA -0.055 4.502 4.556 0.002 0.000 0.300 157 H C 2.121 177.184 175.328 -0.442 0.000 1.087 157 H CA 1.829 57.684 56.048 -0.321 0.000 1.319 157 H CB -0.241 29.404 29.762 -0.196 0.000 1.379 157 H HN 0.410 nan 8.280 nan 0.000 0.501 158 L N 0.102 121.063 121.223 -0.437 0.000 2.046 158 L HA -0.142 4.199 4.340 0.002 0.000 0.208 158 L C 2.952 179.315 176.870 -0.844 0.000 1.077 158 L CA 0.977 55.364 54.840 -0.756 0.000 0.747 158 L CB -0.461 40.855 42.059 -1.238 0.000 0.896 158 L HN 0.200 nan 8.230 nan 0.000 0.432 159 A N -0.055 122.299 122.820 -0.777 0.000 1.930 159 A HA -0.127 4.194 4.320 0.002 0.000 0.217 159 A C 2.537 179.876 177.584 -0.408 0.000 1.175 159 A CA 1.608 53.340 52.037 -0.510 0.000 0.627 159 A CB -0.669 17.994 19.000 -0.562 0.000 0.815 159 A HN 0.391 nan 8.150 nan 0.000 0.443 160 A N 0.134 122.604 122.820 -0.584 0.000 1.877 160 A HA -0.104 4.217 4.320 0.002 0.000 0.216 160 A C 2.104 179.561 177.584 -0.211 0.000 1.186 160 A CA 1.565 53.449 52.037 -0.255 0.000 0.620 160 A CB -0.661 18.187 19.000 -0.253 0.000 0.822 160 A HN 0.489 nan 8.150 nan 0.000 0.443 161 I N -0.695 119.729 120.570 -0.243 0.000 2.163 161 I HA -0.287 3.884 4.170 0.002 0.000 0.243 161 I C 2.589 178.654 176.117 -0.088 0.000 1.085 161 I CA 2.003 63.189 61.300 -0.189 0.000 1.347 161 I CB -0.282 37.629 38.000 -0.149 0.000 1.044 161 I HN 0.529 nan 8.210 nan 0.000 0.408 162 E N 0.586 120.758 120.200 -0.047 0.000 2.072 162 E HA -0.190 4.161 4.350 0.002 0.000 0.190 162 E C 2.209 178.849 176.600 0.066 0.000 0.982 162 E CA 1.453 57.890 56.400 0.061 0.000 0.803 162 E CB 0.092 29.912 29.700 0.199 0.000 0.755 162 E HN 0.505 nan 8.360 nan 0.000 0.453 163 S N -0.436 115.294 115.700 0.050 0.000 2.496 163 S HA -0.003 4.468 4.470 0.002 0.000 0.224 163 S C 0.694 175.335 174.600 0.068 0.000 0.996 163 S CA 0.671 58.916 58.200 0.075 0.000 0.927 163 S CB -0.190 63.065 63.200 0.093 0.000 0.774 163 S HN 0.438 nan 8.310 nan 0.000 0.524 164 N N -0.341 118.350 118.700 -0.015 0.000 2.753 164 N HA -0.123 4.618 4.740 0.002 0.000 0.251 164 N C -1.067 174.338 175.510 -0.174 0.000 1.097 164 N CA 0.832 53.828 53.050 -0.091 0.000 0.786 164 N CB -1.540 36.903 38.487 -0.073 0.000 1.137 164 N HN 0.373 nan 8.380 nan 0.000 0.566 165 V N 1.055 120.870 119.914 -0.166 0.000 2.398 165 V HA 0.450 4.571 4.120 0.002 0.000 0.286 165 V C -1.792 174.126 176.094 -0.293 0.000 1.026 165 V CA -1.538 60.563 62.300 -0.332 0.000 0.868 165 V CB 1.692 33.224 31.823 -0.484 0.000 0.982 165 V HN -0.059 nan 8.190 nan 0.000 0.443 166 P HA 0.253 nan 4.420 nan 0.000 0.272 166 P C -1.182 175.752 177.300 -0.611 0.000 1.223 166 P CA -0.040 62.620 63.100 -0.734 0.000 0.784 166 P CB 0.690 31.438 31.700 -1.586 0.000 0.923 167 F N 0.732 120.392 119.950 -0.482 0.000 2.546 167 F HA 0.543 5.070 4.527 0.002 0.000 0.320 167 F C 0.600 176.428 175.800 0.047 0.000 1.076 167 F CA -0.914 56.982 58.000 -0.173 0.000 0.928 167 F CB 2.132 41.032 39.000 -0.166 0.000 1.189 167 F HN 0.144 nan 8.300 nan 0.000 0.465 168 M N 3.721 123.499 119.600 0.296 0.000 2.078 168 M HA 0.318 4.799 4.480 0.002 0.000 0.320 168 M C -1.710 174.814 176.300 0.373 0.000 0.969 168 M CA -0.630 54.839 55.300 0.281 0.000 0.929 168 M CB 0.618 33.311 32.600 0.155 0.000 1.504 168 M HN 0.712 nan 8.290 nan 0.000 0.419 169 H N 6.110 125.323 119.070 0.238 0.000 2.517 169 H HA 0.592 5.149 4.556 0.002 0.000 0.317 169 H C -1.931 173.642 175.328 0.408 0.000 1.080 169 H CA -0.486 55.734 56.048 0.286 0.000 1.301 169 H CB 0.535 30.462 29.762 0.276 0.000 1.425 169 H HN 0.570 nan 8.280 nan 0.000 0.471 170 F N 4.284 124.155 119.950 -0.131 0.000 2.613 170 F HA 0.720 5.248 4.527 0.002 0.000 0.314 170 F C -1.995 173.762 175.800 -0.071 0.000 1.075 170 F CA -1.432 56.424 58.000 -0.239 0.000 0.945 170 F CB 1.353 40.221 39.000 -0.221 0.000 1.310 170 F HN 0.398 nan 8.300 nan 0.000 0.467 171 F N -1.095 118.837 119.950 -0.029 0.000 2.678 171 F HA 0.488 5.016 4.527 0.002 0.000 0.308 171 F C -1.361 174.531 175.800 0.152 0.000 1.118 171 F CA -1.443 56.556 58.000 -0.003 0.000 0.959 171 F CB 0.844 39.836 39.000 -0.014 0.000 1.305 171 F HN 0.353 nan 8.300 nan 0.000 0.443 172 D N 1.680 122.276 120.400 0.326 0.000 2.450 172 D HA 0.274 4.915 4.640 0.002 0.000 0.247 172 D C 0.528 176.956 176.300 0.213 0.000 1.162 172 D CA 0.451 54.610 54.000 0.264 0.000 0.879 172 D CB 1.301 42.271 40.800 0.284 0.000 1.163 172 D HN 0.991 nan 8.370 nan 0.000 0.472 173 G N 1.509 110.387 108.800 0.130 0.000 2.272 173 G HA2 0.169 4.130 3.960 0.002 0.000 0.247 173 G HA3 0.169 4.130 3.960 0.002 0.000 0.247 173 G C 0.490 175.569 174.900 0.297 0.000 1.272 173 G CA -0.132 45.022 45.100 0.089 0.000 0.921 173 G HN 0.521 nan 8.290 nan 0.000 0.495 174 F N 0.270 120.329 119.950 0.181 0.000 2.565 174 F HA -0.348 4.180 4.527 0.001 0.000 0.684 174 F C 2.356 178.439 175.800 0.471 0.000 0.487 174 F CA 2.335 60.482 58.000 0.245 0.000 0.725 174 F CB -1.025 38.138 39.000 0.272 0.000 1.613 174 F HN 0.541 nan 8.300 nan 0.000 0.264 175 R N 0.483 121.312 120.500 0.549 0.000 2.120 175 R HA -0.022 4.319 4.340 0.002 0.000 0.234 175 R C 1.676 178.182 176.300 0.344 0.000 1.123 175 R CA 2.506 58.832 56.100 0.377 0.000 0.975 175 R CB -0.633 29.798 30.300 0.217 0.000 0.866 175 R HN 0.575 nan 8.270 nan 0.000 0.446 176 T N -1.613 113.167 114.554 0.377 0.000 3.026 176 T HA 0.019 4.370 4.350 0.002 0.000 0.245 176 T C 1.559 176.502 174.700 0.405 0.000 1.004 176 T CA 0.583 62.898 62.100 0.359 0.000 1.069 176 T CB 0.084 69.184 68.868 0.387 0.000 1.005 176 T HN 0.390 nan 8.240 nan 0.000 0.472 177 S N 1.443 117.454 115.700 0.519 0.000 2.399 177 S HA -0.161 4.310 4.470 0.002 0.000 0.231 177 S C 1.464 176.259 174.600 0.324 0.000 1.022 177 S CA 1.314 59.827 58.200 0.522 0.000 0.983 177 S CB -0.405 63.038 63.200 0.404 0.000 0.803 177 S HN 0.546 nan 8.310 nan 0.000 0.480 178 H N 0.376 119.556 119.070 0.184 0.000 2.893 178 H HA 0.480 5.037 4.556 0.002 0.000 0.270 178 H C 0.139 175.618 175.328 0.252 0.000 1.095 178 H CA -0.375 55.774 56.048 0.168 0.000 1.186 178 H CB 0.220 30.078 29.762 0.160 0.000 1.562 178 H HN 0.600 nan 8.280 nan 0.000 0.536 179 E N 1.535 121.973 120.200 0.397 0.000 2.354 179 E HA 0.208 4.559 4.350 0.002 0.000 0.269 179 E C -0.425 176.296 176.600 0.201 0.000 1.036 179 E CA -0.691 55.915 56.400 0.343 0.000 0.876 179 E CB 0.806 30.683 29.700 0.294 0.000 1.009 179 E HN 0.287 nan 8.360 nan 0.000 0.416 180 I N 2.486 123.154 120.570 0.162 0.000 2.392 180 I HA 0.293 4.464 4.170 0.002 0.000 0.295 180 I C -1.032 175.127 176.117 0.070 0.000 0.985 180 I CA -0.092 61.279 61.300 0.117 0.000 1.221 180 I CB 1.324 39.412 38.000 0.147 0.000 1.366 180 I HN 0.436 nan 8.210 nan 0.000 0.467 181 Q N 4.959 124.796 119.800 0.060 0.000 2.456 181 Q HA 0.338 4.679 4.340 0.002 0.000 0.284 181 Q C -1.415 174.619 176.000 0.056 0.000 1.061 181 Q CA -1.080 54.757 55.803 0.056 0.000 0.799 181 Q CB 2.507 31.284 28.738 0.065 0.000 1.445 181 Q HN 0.690 nan 8.270 nan 0.000 0.411 182 K N 2.501 122.947 120.400 0.075 0.000 2.312 182 K HA 0.437 4.758 4.320 0.002 0.000 0.287 182 K C -0.253 176.389 176.600 0.069 0.000 1.062 182 K CA 0.026 56.345 56.287 0.054 0.000 0.934 182 K CB 0.159 32.683 32.500 0.040 0.000 1.027 182 K HN 0.563 nan 8.250 nan 0.000 0.478 183 I N -0.797 119.781 120.570 0.013 0.000 3.457 183 I HA 0.507 4.678 4.170 0.002 0.000 0.307 183 I C -1.028 175.048 176.117 -0.068 0.000 1.138 183 I CA -1.072 60.227 61.300 -0.001 0.000 0.974 183 I CB 1.840 39.825 38.000 -0.024 0.000 1.324 183 I HN 0.506 nan 8.210 nan 0.000 0.485 184 E N 1.944 122.082 120.200 -0.105 0.000 2.191 184 E HA 0.600 4.951 4.350 0.002 0.000 0.274 184 E C -1.457 174.925 176.600 -0.362 0.000 0.948 184 E CA -0.681 55.622 56.400 -0.162 0.000 0.802 184 E CB 2.388 32.031 29.700 -0.095 0.000 1.137 184 E HN 0.657 nan 8.360 nan 0.000 0.397 185 V N 1.375 121.064 119.914 -0.374 0.000 3.046 185 V HA 0.607 4.728 4.120 0.002 0.000 0.316 185 V C -0.507 175.512 176.094 -0.124 0.000 1.104 185 V CA -1.049 60.905 62.300 -0.576 0.000 1.006 185 V CB 1.527 33.003 31.823 -0.579 0.000 1.058 185 V HN 0.659 nan 8.190 nan 0.000 0.440 186 L N 1.640 123.007 121.223 0.240 0.000 2.325 186 L HA 0.520 4.861 4.340 0.002 0.000 0.279 186 L C 0.135 177.206 176.870 0.334 0.000 1.054 186 L CA -0.588 54.414 54.840 0.271 0.000 0.804 186 L CB 1.304 43.546 42.059 0.304 0.000 1.200 186 L HN 0.718 nan 8.230 nan 0.000 0.436 187 D N 0.413 120.924 120.400 0.185 0.000 2.361 187 D HA -0.054 4.587 4.640 0.002 0.000 0.239 187 D C 0.667 177.122 176.300 0.258 0.000 1.200 187 D CA 0.055 54.146 54.000 0.152 0.000 0.915 187 D CB 0.732 41.564 40.800 0.053 0.000 1.170 187 D HN 0.334 nan 8.370 nan 0.000 0.444 188 Y N 0.508 120.790 120.300 -0.029 0.000 2.352 188 Y HA -0.076 4.475 4.550 0.002 0.000 0.292 188 Y C 2.255 178.112 175.900 -0.070 0.000 1.136 188 Y CA 0.508 58.559 58.100 -0.081 0.000 1.227 188 Y CB -0.908 37.485 38.460 -0.111 0.000 0.991 188 Y HN 0.418 nan 8.280 nan 0.000 0.545 189 A N -0.365 122.522 122.820 0.111 0.000 2.014 189 A HA -0.117 4.204 4.320 0.002 0.000 0.218 189 A C 2.003 179.606 177.584 0.032 0.000 1.163 189 A CA 1.476 53.540 52.037 0.044 0.000 0.652 189 A CB -0.406 18.612 19.000 0.031 0.000 0.808 189 A HN 0.322 nan 8.150 nan 0.000 0.449 190 D N -0.182 120.251 120.400 0.054 0.000 2.123 190 D HA -0.108 4.533 4.640 0.002 0.000 0.200 190 D C 2.048 178.366 176.300 0.031 0.000 0.976 190 D CA 1.379 55.409 54.000 0.049 0.000 0.831 190 D CB -0.231 40.614 40.800 0.075 0.000 0.974 190 D HN 0.486 nan 8.370 nan 0.000 0.469 191 M N 1.083 120.694 119.600 0.019 0.000 2.065 191 M HA -0.143 4.338 4.480 0.002 0.000 0.259 191 M C 2.550 178.799 176.300 -0.085 0.000 1.069 191 M CA 1.440 56.709 55.300 -0.050 0.000 1.110 191 M CB -0.374 32.147 32.600 -0.131 0.000 1.328 191 M HN -0.070 nan 8.290 nan 0.000 0.405 192 A N 0.641 123.400 122.820 -0.101 0.000 1.948 192 A HA -0.197 4.124 4.320 0.002 0.000 0.220 192 A C 2.285 179.835 177.584 -0.056 0.000 1.177 192 A CA 2.302 54.264 52.037 -0.123 0.000 0.636 192 A CB -1.040 17.885 19.000 -0.126 0.000 0.815 192 A HN 0.635 nan 8.150 nan 0.000 0.449 193 S N -1.212 114.477 115.700 -0.018 0.000 2.474 193 S HA 0.002 4.473 4.470 0.002 0.000 0.235 193 S C 1.369 175.987 174.600 0.030 0.000 0.997 193 S CA 1.178 59.384 58.200 0.009 0.000 0.949 193 S CB -0.228 62.983 63.200 0.019 0.000 0.766 193 S HN 0.211 nan 8.310 nan 0.000 0.517 194 L N 1.554 122.797 121.223 0.033 0.000 2.529 194 L HA 0.411 4.752 4.340 0.002 0.000 0.223 194 L C 0.579 177.512 176.870 0.104 0.000 1.113 194 L CA -0.017 54.879 54.840 0.094 0.000 0.861 194 L CB -0.659 41.457 42.059 0.094 0.000 1.012 194 L HN 0.186 nan 8.230 nan 0.000 0.461 195 V N 1.392 121.320 119.914 0.023 0.000 2.740 195 V HA 0.004 4.125 4.120 0.002 0.000 0.303 195 V C 0.773 176.912 176.094 0.076 0.000 1.054 195 V CA -0.384 61.923 62.300 0.012 0.000 1.106 195 V CB 0.701 32.510 31.823 -0.024 0.000 0.957 195 V HN 0.347 nan 8.190 nan 0.000 0.486 196 N N 4.493 123.254 118.700 0.101 0.000 2.415 196 N HA 0.080 4.821 4.740 0.002 0.000 0.250 196 N C 0.907 176.470 175.510 0.087 0.000 1.127 196 N CA -0.074 53.041 53.050 0.108 0.000 0.945 196 N CB 1.217 39.791 38.487 0.145 0.000 1.196 196 N HN 0.567 nan 8.380 nan 0.000 0.499 197 Q N 2.863 122.711 119.800 0.080 0.000 2.224 197 Q HA -0.082 4.259 4.340 0.002 0.000 0.203 197 Q C 0.828 176.878 176.000 0.084 0.000 0.970 197 Q CA 1.348 57.204 55.803 0.087 0.000 0.865 197 Q CB 0.146 28.928 28.738 0.074 0.000 0.922 197 Q HN 0.554 nan 8.270 nan 0.000 0.445 198 K N 0.792 121.234 120.400 0.071 0.000 2.062 198 K HA 0.025 4.346 4.320 0.002 0.000 0.205 198 K C 2.022 178.669 176.600 0.079 0.000 1.051 198 K CA 1.135 57.460 56.287 0.064 0.000 0.941 198 K CB -0.454 32.076 32.500 0.050 0.000 0.719 198 K HN 0.133 nan 8.250 nan 0.000 0.440 199 A N 1.053 123.925 122.820 0.086 0.000 1.933 199 A HA -0.122 4.199 4.320 0.002 0.000 0.218 199 A C 2.120 179.782 177.584 0.131 0.000 1.175 199 A CA 1.249 53.344 52.037 0.098 0.000 0.628 199 A CB -0.591 18.460 19.000 0.084 0.000 0.814 199 A HN 0.232 nan 8.150 nan 0.000 0.444 200 L N -0.209 121.093 121.223 0.133 0.000 2.017 200 L HA -0.034 4.307 4.340 0.002 0.000 0.208 200 L C 2.675 179.665 176.870 0.200 0.000 1.073 200 L CA 2.195 57.153 54.840 0.196 0.000 0.745 200 L CB -0.881 41.290 42.059 0.187 0.000 0.894 200 L HN 0.332 nan 8.230 nan 0.000 0.432 201 A N -0.838 122.057 122.820 0.124 0.000 1.940 201 A HA -0.233 4.088 4.320 0.002 0.000 0.219 201 A C 2.154 179.776 177.584 0.062 0.000 1.176 201 A CA 1.893 53.975 52.037 0.075 0.000 0.631 201 A CB -0.621 18.410 19.000 0.051 0.000 0.814 201 A HN 0.635 nan 8.150 nan 0.000 0.446 202 E N -1.500 118.753 120.200 0.088 0.000 2.152 202 E HA -0.114 4.237 4.350 0.002 0.000 0.192 202 E C 1.672 178.339 176.600 0.112 0.000 0.983 202 E CA 0.984 57.430 56.400 0.077 0.000 0.818 202 E CB -0.229 29.523 29.700 0.086 0.000 0.758 202 E HN 0.736 nan 8.360 nan 0.000 0.467 203 F N 2.365 122.324 119.950 0.014 0.000 2.134 203 F HA -0.150 4.378 4.527 0.002 0.000 0.299 203 F C 1.967 177.776 175.800 0.015 0.000 1.097 203 F CA 1.289 59.295 58.000 0.010 0.000 1.264 203 F CB 0.081 39.087 39.000 0.011 0.000 1.001 203 F HN -0.167 nan 8.300 nan 0.000 0.479 204 R N 1.157 121.490 120.500 -0.277 0.000 2.073 204 R HA -0.043 4.298 4.340 0.002 0.000 0.234 204 R C 2.484 178.683 176.300 -0.168 0.000 1.134 204 R CA 1.391 57.287 56.100 -0.340 0.000 0.952 204 R CB -1.915 28.287 30.300 -0.163 0.000 0.850 204 R HN 0.407 nan 8.270 nan 0.000 0.433 205 A N 2.451 125.219 122.820 -0.088 0.000 1.978 205 A HA -0.214 4.107 4.320 0.002 0.000 0.220 205 A C 2.019 179.590 177.584 -0.021 0.000 1.170 205 A CA 1.989 53.981 52.037 -0.075 0.000 0.636 205 A CB -0.372 18.579 19.000 -0.081 0.000 0.810 205 A HN 0.519 nan 8.150 nan 0.000 0.448 206 K N -0.785 119.595 120.400 -0.034 0.000 2.426 206 K HA 0.241 4.562 4.320 0.002 0.000 0.193 206 K C 0.419 177.007 176.600 -0.021 0.000 1.028 206 K CA 0.386 56.653 56.287 -0.033 0.000 1.047 206 K CB 0.079 32.550 32.500 -0.047 0.000 0.821 206 K HN 0.192 nan 8.250 nan 0.000 0.513 207 S N 1.382 117.053 115.700 -0.048 0.000 2.608 207 S HA 0.197 4.668 4.470 0.002 0.000 0.261 207 S C 0.239 174.899 174.600 0.099 0.000 1.314 207 S CA -0.653 57.524 58.200 -0.039 0.000 0.992 207 S CB 0.416 63.473 63.200 -0.237 0.000 0.935 207 S HN 0.215 nan 8.310 nan 0.000 0.564 208 M N 3.100 122.750 119.600 0.083 0.000 2.260 208 M HA 0.064 4.545 4.480 0.002 0.000 0.348 208 M C 0.277 176.481 176.300 -0.160 0.000 1.342 208 M CA 0.804 56.076 55.300 -0.046 0.000 1.040 208 M CB -0.190 32.343 32.600 -0.111 0.000 1.810 208 M HN 0.504 nan 8.290 nan 0.000 0.453 209 N N 4.598 123.126 118.700 -0.287 0.000 2.666 209 N HA 0.206 4.947 4.740 0.002 0.000 0.260 209 N C -2.526 172.761 175.510 -0.372 0.000 1.077 209 N CA -1.006 51.814 53.050 -0.383 0.000 1.026 209 N CB 2.240 40.343 38.487 -0.639 0.000 1.653 209 N HN 0.219 nan 8.380 nan 0.000 0.533 210 P HA -0.055 nan 4.420 nan 0.000 0.228 210 P C 0.527 177.751 177.300 -0.127 0.000 1.151 210 P CA 1.086 64.093 63.100 -0.155 0.000 0.770 210 P CB 0.609 32.245 31.700 -0.106 0.000 0.786 211 E N -0.534 119.575 120.200 -0.151 0.000 2.358 211 E HA -0.086 4.265 4.350 0.002 0.000 0.195 211 E C 0.703 177.349 176.600 0.077 0.000 1.010 211 E CA 0.542 56.931 56.400 -0.018 0.000 0.856 211 E CB -0.158 29.596 29.700 0.089 0.000 0.795 211 E HN 0.561 nan 8.360 nan 0.000 0.504 212 H N -2.335 116.735 119.070 0.000 0.000 2.803 212 H HA 0.258 4.815 4.556 0.002 0.000 0.219 212 H C -2.929 172.425 175.328 0.045 0.000 1.379 212 H CA -1.760 54.298 56.048 0.017 0.000 1.415 212 H CB -0.315 29.454 29.762 0.013 0.000 1.943 212 H HN -0.067 nan 8.280 nan 0.000 0.569 213 P HA 0.198 nan 4.420 nan 0.000 0.276 213 P C -0.005 177.349 177.300 0.090 0.000 1.261 213 P CA 0.201 63.277 63.100 -0.039 0.000 0.800 213 P CB 1.615 33.264 31.700 -0.084 0.000 1.066 214 H N -2.016 117.040 119.070 -0.023 0.000 2.966 214 H HA 0.555 5.112 4.556 0.002 0.000 0.330 214 H C -1.560 173.762 175.328 -0.010 0.000 1.292 214 H CA -1.078 54.967 56.048 -0.004 0.000 1.127 214 H CB 1.259 31.027 29.762 0.011 0.000 1.863 214 H HN 0.292 nan 8.280 nan 0.000 0.543 215 V N 1.767 121.706 119.914 0.042 0.000 2.459 215 V HA 0.597 4.718 4.120 0.002 0.000 0.295 215 V C -0.231 175.939 176.094 0.126 0.000 1.029 215 V CA -0.664 61.629 62.300 -0.012 0.000 0.874 215 V CB 1.221 33.044 31.823 -0.001 0.000 0.985 215 V HN 1.032 nan 8.190 nan 0.000 0.438 216 R N 4.478 125.020 120.500 0.071 0.000 2.803 216 R HA 0.788 5.129 4.340 0.002 0.000 0.276 216 R C 0.418 176.769 176.300 0.085 0.000 0.978 216 R CA -0.229 55.952 56.100 0.136 0.000 0.939 216 R CB 1.725 32.142 30.300 0.195 0.000 1.179 216 R HN 1.919 nan 8.270 nan 0.000 0.472 217 G N 1.527 110.389 108.800 0.104 0.000 2.256 217 G HA2 -0.305 3.656 3.960 0.002 0.000 0.272 217 G HA3 -0.305 3.656 3.960 0.002 0.000 0.272 217 G C 0.157 175.100 174.900 0.072 0.000 1.076 217 G CA 0.473 45.630 45.100 0.094 0.000 0.882 217 G HN 1.077 nan 8.290 nan 0.000 0.497 218 T N -2.277 112.321 114.554 0.074 0.000 2.698 218 T HA 0.722 5.073 4.350 0.002 0.000 0.295 218 T C 0.594 175.336 174.700 0.070 0.000 1.007 218 T CA 0.432 62.570 62.100 0.063 0.000 0.980 218 T CB 1.928 70.835 68.868 0.065 0.000 1.036 218 T HN 1.856 nan 8.240 nan 0.000 0.526 219 A N 0.621 123.476 122.820 0.059 0.000 2.331 219 A HA 0.635 4.956 4.320 0.002 0.000 0.320 219 A C -0.358 177.268 177.584 0.070 0.000 1.138 219 A CA -0.889 51.182 52.037 0.057 0.000 0.790 219 A CB 1.087 20.104 19.000 0.028 0.000 1.206 219 A HN 0.825 nan 8.150 nan 0.000 0.470 220 Q N 1.137 120.996 119.800 0.098 0.000 2.377 220 Q HA 0.335 4.676 4.340 0.002 0.000 0.271 220 Q C -0.573 175.479 176.000 0.086 0.000 1.077 220 Q CA -0.631 55.245 55.803 0.121 0.000 0.820 220 Q CB 2.248 31.122 28.738 0.226 0.000 1.347 220 Q HN 0.920 nan 8.270 nan 0.000 0.444 221 N N 0.930 119.677 118.700 0.079 0.000 2.418 221 N HA 0.172 4.913 4.740 0.002 0.000 0.283 221 N C -1.897 173.662 175.510 0.082 0.000 1.267 221 N CA -1.438 51.642 53.050 0.050 0.000 0.975 221 N CB 0.516 39.028 38.487 0.041 0.000 1.167 221 N HN 0.302 nan 8.380 nan 0.000 0.581 222 P HA -0.095 nan 4.420 nan 0.000 0.226 222 P C 0.150 177.519 177.300 0.115 0.000 1.153 222 P CA 0.869 64.022 63.100 0.089 0.000 0.777 222 P CB 0.045 31.776 31.700 0.052 0.000 0.794 223 D N 0.559 121.012 120.400 0.088 0.000 2.123 223 D HA -0.187 4.454 4.640 0.002 0.000 0.196 223 D C 1.677 178.031 176.300 0.091 0.000 0.992 223 D CA 1.527 55.573 54.000 0.076 0.000 0.833 223 D CB -1.101 39.731 40.800 0.053 0.000 0.954 223 D HN 0.350 nan 8.370 nan 0.000 0.455 224 I N -4.854 115.786 120.570 0.116 0.000 4.526 224 I HA 0.285 4.456 4.170 0.002 0.000 0.330 224 I C 1.877 178.085 176.117 0.152 0.000 1.323 224 I CA -0.673 60.692 61.300 0.108 0.000 1.218 224 I CB -0.072 37.974 38.000 0.076 0.000 1.233 224 I HN -0.158 nan 8.210 nan 0.000 0.430 225 Y N 1.970 122.322 120.300 0.087 0.000 2.128 225 Y HA -0.236 4.315 4.550 0.002 0.000 0.284 225 Y C 2.264 178.260 175.900 0.161 0.000 1.154 225 Y CA 2.425 60.580 58.100 0.092 0.000 1.149 225 Y CB -0.386 38.108 38.460 0.057 0.000 0.976 225 Y HN 0.258 nan 8.280 nan 0.000 0.505 226 F N 0.561 120.548 119.950 0.062 0.000 2.069 226 F HA -0.367 4.161 4.527 0.002 0.000 0.298 226 F C 2.297 178.044 175.800 -0.088 0.000 1.113 226 F CA 1.597 59.584 58.000 -0.021 0.000 1.214 226 F CB -0.152 38.886 39.000 0.063 0.000 0.978 226 F HN 0.156 nan 8.300 nan 0.000 0.474 227 Q N 0.240 120.103 119.800 0.103 0.000 2.112 227 Q HA -0.188 4.153 4.340 0.002 0.000 0.206 227 Q C 2.357 178.351 176.000 -0.009 0.000 0.987 227 Q CA 1.907 57.699 55.803 -0.019 0.000 0.858 227 Q CB -0.958 27.764 28.738 -0.026 0.000 0.905 227 Q HN 0.572 nan 8.270 nan 0.000 0.420 228 G N 0.111 108.891 108.800 -0.034 0.000 2.432 228 G HA2 -0.313 3.648 3.960 0.002 0.000 0.219 228 G HA3 -0.313 3.648 3.960 0.002 0.000 0.219 228 G C 1.517 176.342 174.900 -0.124 0.000 1.135 228 G CA 0.861 45.915 45.100 -0.077 0.000 0.767 228 G HN 0.153 nan 8.290 nan 0.000 0.550 229 R N 0.312 120.695 120.500 -0.195 0.000 2.153 229 R HA 0.086 4.427 4.340 0.002 0.000 0.218 229 R C 2.124 178.409 176.300 -0.025 0.000 1.072 229 R CA 0.849 56.846 56.100 -0.172 0.000 0.990 229 R CB -0.067 30.073 30.300 -0.267 0.000 0.889 229 R HN 0.196 nan 8.270 nan 0.000 0.452 230 E N -0.329 119.895 120.200 0.041 0.000 2.442 230 E HA 0.063 4.414 4.350 0.002 0.000 0.195 230 E C 1.458 178.088 176.600 0.051 0.000 1.030 230 E CA 0.711 57.147 56.400 0.060 0.000 0.869 230 E CB 0.360 30.101 29.700 0.068 0.000 0.857 230 E HN 0.389 nan 8.360 nan 0.000 0.505 231 A N 1.161 124.006 122.820 0.042 0.000 2.125 231 A HA -0.018 4.303 4.320 0.002 0.000 0.219 231 A C 2.240 179.904 177.584 0.133 0.000 1.156 231 A CA 1.413 53.489 52.037 0.066 0.000 0.671 231 A CB -0.188 18.837 19.000 0.042 0.000 0.794 231 A HN 0.207 nan 8.150 nan 0.000 0.459 232 A N -0.065 122.843 122.820 0.146 0.000 2.169 232 A HA -0.037 4.284 4.320 0.002 0.000 0.212 232 A C 1.609 179.414 177.584 0.368 0.000 1.153 232 A CA 0.844 53.041 52.037 0.268 0.000 0.756 232 A CB -0.730 18.421 19.000 0.251 0.000 0.813 232 A HN 0.705 nan 8.150 nan 0.000 0.471 233 N N 0.599 119.433 118.700 0.224 0.000 2.073 233 N HA -0.214 4.527 4.740 0.002 0.000 0.199 233 N C -1.060 174.568 175.510 0.197 0.000 1.023 233 N CA 1.931 55.093 53.050 0.186 0.000 0.880 233 N CB -0.947 37.595 38.487 0.093 0.000 1.052 233 N HN 0.333 nan 8.380 nan 0.000 0.449 234 P HA -0.158 nan 4.420 nan 0.000 0.217 234 P C 0.626 177.865 177.300 -0.102 0.000 1.148 234 P CA 1.262 64.351 63.100 -0.018 0.000 0.828 234 P CB -0.076 31.556 31.700 -0.112 0.000 0.783 235 Y N -2.617 117.715 120.300 0.054 0.000 2.163 235 Y HA -0.181 4.370 4.550 0.002 0.000 0.288 235 Y C 2.358 178.206 175.900 -0.086 0.000 1.136 235 Y CA 1.355 59.437 58.100 -0.030 0.000 1.147 235 Y CB -1.308 37.099 38.460 -0.087 0.000 0.987 235 Y HN -0.041 nan 8.280 nan 0.000 0.509 236 Y N -0.518 119.857 120.300 0.125 0.000 2.352 236 Y HA -0.174 4.377 4.550 0.002 0.000 0.292 236 Y C 2.177 178.096 175.900 0.031 0.000 1.136 236 Y CA 0.967 59.099 58.100 0.054 0.000 1.227 236 Y CB -0.552 37.927 38.460 0.032 0.000 0.991 236 Y HN 0.090 nan 8.280 nan 0.000 0.545 237 L N -0.194 121.121 121.223 0.154 0.000 2.131 237 L HA -0.232 4.109 4.340 0.002 0.000 0.210 237 L C 2.112 179.009 176.870 0.044 0.000 1.092 237 L CA 1.455 56.344 54.840 0.082 0.000 0.759 237 L CB -0.362 41.725 42.059 0.046 0.000 0.903 237 L HN 0.161 nan 8.230 nan 0.000 0.435 238 K N -0.480 119.927 120.400 0.012 0.000 2.365 238 K HA -0.058 4.263 4.320 0.002 0.000 0.197 238 K C 2.040 178.660 176.600 0.033 0.000 1.042 238 K CA 0.950 57.239 56.287 0.003 0.000 0.987 238 K CB 0.006 32.484 32.500 -0.037 0.000 0.779 238 K HN 0.256 nan 8.250 nan 0.000 0.484 239 V N 1.645 121.582 119.914 0.038 0.000 2.332 239 V HA -0.156 3.965 4.120 0.002 0.000 0.248 239 V C -1.109 175.050 176.094 0.108 0.000 1.055 239 V CA 1.577 63.922 62.300 0.075 0.000 1.038 239 V CB -0.996 30.851 31.823 0.039 0.000 0.651 239 V HN 0.105 nan 8.190 nan 0.000 0.450 240 P HA -0.016 nan 4.420 nan 0.000 0.216 240 P C 1.863 179.211 177.300 0.080 0.000 1.153 240 P CA 2.078 65.229 63.100 0.085 0.000 0.848 240 P CB -0.626 31.117 31.700 0.071 0.000 0.787 241 G N -0.359 108.476 108.800 0.059 0.000 2.402 241 G HA2 -0.216 3.745 3.960 0.002 0.000 0.216 241 G HA3 -0.216 3.745 3.960 0.002 0.000 0.216 241 G C 1.540 176.460 174.900 0.034 0.000 1.162 241 G CA 0.441 45.564 45.100 0.039 0.000 0.777 241 G HN 0.214 nan 8.290 nan 0.000 0.539 242 I N 0.418 121.022 120.570 0.056 0.000 2.163 242 I HA -0.201 3.970 4.170 0.002 0.000 0.243 242 I C 2.768 178.979 176.117 0.156 0.000 1.085 242 I CA 0.729 62.081 61.300 0.087 0.000 1.347 242 I CB -0.276 37.808 38.000 0.140 0.000 1.044 242 I HN 0.039 nan 8.210 nan 0.000 0.408 243 V N 0.905 120.920 119.914 0.168 0.000 2.358 243 V HA -0.270 3.851 4.120 0.002 0.000 0.246 243 V C 2.699 178.869 176.094 0.127 0.000 1.047 243 V CA 1.943 64.345 62.300 0.171 0.000 1.035 243 V CB -0.958 30.980 31.823 0.191 0.000 0.658 243 V HN 0.498 nan 8.190 nan 0.000 0.452 244 A N -0.398 122.476 122.820 0.091 0.000 1.933 244 A HA -0.269 4.052 4.320 0.002 0.000 0.218 244 A C 2.318 179.926 177.584 0.040 0.000 1.175 244 A CA 1.948 54.028 52.037 0.072 0.000 0.628 244 A CB -0.503 18.533 19.000 0.060 0.000 0.814 244 A HN 0.613 nan 8.150 nan 0.000 0.444 245 E N -0.801 119.391 120.200 -0.013 0.000 2.038 245 E HA -0.241 4.110 4.350 0.002 0.000 0.195 245 E C 1.829 178.335 176.600 -0.156 0.000 1.000 245 E CA 1.672 57.998 56.400 -0.123 0.000 0.803 245 E CB -0.372 29.198 29.700 -0.217 0.000 0.750 245 E HN 0.755 nan 8.360 nan 0.000 0.448 246 Y N 0.289 120.591 120.300 0.002 0.000 2.274 246 Y HA -0.190 4.362 4.550 0.002 0.000 0.290 246 Y C 2.698 178.609 175.900 0.018 0.000 1.145 246 Y CA 1.279 59.373 58.100 -0.009 0.000 1.203 246 Y CB -0.137 38.291 38.460 -0.054 0.000 0.984 246 Y HN 0.090 nan 8.280 nan 0.000 0.533 247 M N -0.564 119.136 119.600 0.168 0.000 2.080 247 M HA -0.321 4.160 4.480 0.002 0.000 0.260 247 M C 2.130 178.522 176.300 0.152 0.000 1.068 247 M CA 1.867 57.274 55.300 0.179 0.000 1.109 247 M CB -0.350 32.363 32.600 0.189 0.000 1.342 247 M HN 0.237 nan 8.290 nan 0.000 0.405 248 Q N 0.060 119.914 119.800 0.089 0.000 2.119 248 Q HA -0.135 4.206 4.340 0.002 0.000 0.201 248 Q C 1.933 177.963 176.000 0.051 0.000 0.972 248 Q CA 1.426 57.262 55.803 0.055 0.000 0.847 248 Q CB 0.025 28.774 28.738 0.019 0.000 0.903 248 Q HN 0.426 nan 8.270 nan 0.000 0.433 249 K N -0.399 120.029 120.400 0.046 0.000 2.025 249 K HA -0.102 4.219 4.320 0.002 0.000 0.207 249 K C 2.016 178.673 176.600 0.096 0.000 1.049 249 K CA 1.383 57.704 56.287 0.057 0.000 0.933 249 K CB -0.130 32.408 32.500 0.064 0.000 0.714 249 K HN 0.018 nan 8.250 nan 0.000 0.438 250 V N 1.489 121.482 119.914 0.133 0.000 2.407 250 V HA -0.243 3.878 4.120 0.002 0.000 0.248 250 V C 2.294 178.465 176.094 0.129 0.000 1.055 250 V CA 2.006 64.389 62.300 0.138 0.000 1.049 250 V CB -0.641 31.273 31.823 0.152 0.000 0.662 250 V HN 0.367 nan 8.190 nan 0.000 0.455 251 A N 0.557 123.448 122.820 0.118 0.000 2.015 251 A HA -0.168 4.153 4.320 0.002 0.000 0.219 251 A C 2.528 180.143 177.584 0.051 0.000 1.163 251 A CA 1.875 53.957 52.037 0.075 0.000 0.646 251 A CB -0.587 18.441 19.000 0.047 0.000 0.806 251 A HN 0.682 nan 8.150 nan 0.000 0.448 252 S N -0.058 115.673 115.700 0.052 0.000 2.402 252 S HA -0.052 4.419 4.470 0.002 0.000 0.229 252 S C 1.812 176.437 174.600 0.042 0.000 1.021 252 S CA 1.360 59.583 58.200 0.038 0.000 0.974 252 S CB -0.574 62.645 63.200 0.031 0.000 0.800 252 S HN 0.469 nan 8.310 nan 0.000 0.484 253 L N 1.374 122.632 121.223 0.057 0.000 2.162 253 L HA 0.058 4.399 4.340 0.002 0.000 0.205 253 L C 3.026 179.930 176.870 0.057 0.000 1.086 253 L CA 1.489 56.364 54.840 0.058 0.000 0.778 253 L CB -0.819 41.285 42.059 0.074 0.000 0.928 253 L HN 0.617 nan 8.230 nan 0.000 0.446 254 T N -4.769 109.825 114.554 0.068 0.000 2.990 254 T HA 0.243 4.594 4.350 0.002 0.000 0.249 254 T C 1.517 176.242 174.700 0.040 0.000 1.039 254 T CA 0.612 62.750 62.100 0.063 0.000 1.036 254 T CB 0.845 69.773 68.868 0.101 0.000 0.994 254 T HN 0.386 nan 8.240 nan 0.000 0.489 255 G N 1.899 110.717 108.800 0.029 0.000 2.179 255 G HA2 -0.247 3.714 3.960 0.002 0.000 0.260 255 G HA3 -0.247 3.714 3.960 0.002 0.000 0.260 255 G C 0.131 175.016 174.900 -0.025 0.000 0.977 255 G CA -0.032 45.072 45.100 0.006 0.000 0.641 255 G HN 0.683 nan 8.290 nan 0.000 0.533 256 R N 0.919 121.400 120.500 -0.031 0.000 2.215 256 R HA 0.539 4.880 4.340 0.002 0.000 0.336 256 R C -0.352 175.762 176.300 -0.309 0.000 0.996 256 R CA -0.199 55.806 56.100 -0.158 0.000 0.847 256 R CB 1.317 31.573 30.300 -0.073 0.000 1.127 256 R HN 0.159 nan 8.270 nan 0.000 0.465 257 S N 2.606 118.077 115.700 -0.381 0.000 2.525 257 S HA 0.463 4.934 4.470 0.002 0.000 0.278 257 S C -0.987 173.286 174.600 -0.545 0.000 1.234 257 S CA -0.352 57.663 58.200 -0.308 0.000 1.058 257 S CB 0.538 63.656 63.200 -0.136 0.000 0.983 257 S HN 0.338 nan 8.310 nan 0.000 0.495 258 Y N 0.870 121.199 120.300 0.049 0.000 2.576 258 Y HA 0.574 5.125 4.550 0.002 0.000 0.346 258 Y C 0.276 176.207 175.900 0.052 0.000 1.018 258 Y CA -1.086 57.044 58.100 0.050 0.000 1.050 258 Y CB 1.642 40.128 38.460 0.044 0.000 1.280 258 Y HN 0.421 nan 8.280 nan 0.000 0.474 259 K N 0.263 120.800 120.400 0.228 0.000 2.378 259 K HA 0.373 4.694 4.320 0.002 0.000 0.244 259 K C -0.142 176.528 176.600 0.117 0.000 1.039 259 K CA -0.870 55.513 56.287 0.160 0.000 0.863 259 K CB 1.581 34.173 32.500 0.153 0.000 1.326 259 K HN 0.325 nan 8.250 nan 0.000 0.460 260 L N 0.566 121.839 121.223 0.082 0.000 2.083 260 L HA 0.021 4.362 4.340 0.002 0.000 0.209 260 L C 0.123 176.781 176.870 -0.354 0.000 1.083 260 L CA 1.702 56.493 54.840 -0.082 0.000 0.752 260 L CB -0.418 41.654 42.059 0.022 0.000 0.899 260 L HN 0.409 nan 8.230 nan 0.000 0.433 261 F N -1.400 118.594 119.950 0.073 0.000 2.573 261 F HA 0.371 4.899 4.527 0.002 0.000 0.316 261 F C -0.152 175.714 175.800 0.109 0.000 1.148 261 F CA -1.253 56.804 58.000 0.096 0.000 0.940 261 F CB 1.616 40.665 39.000 0.082 0.000 1.214 261 F HN -0.259 nan 8.300 nan 0.000 0.448 262 D N 1.592 122.166 120.400 0.290 0.000 2.342 262 D HA 0.217 4.858 4.640 0.002 0.000 0.243 262 D C -1.510 174.940 176.300 0.250 0.000 1.019 262 D CA -0.360 53.778 54.000 0.230 0.000 0.864 262 D CB 2.818 43.725 40.800 0.178 0.000 1.315 262 D HN 0.527 nan 8.370 nan 0.000 0.468 263 Y N 1.098 121.458 120.300 0.099 0.000 2.409 263 Y HA 0.517 5.069 4.550 0.002 0.000 0.339 263 Y C -1.168 174.778 175.900 0.077 0.000 1.033 263 Y CA -0.458 57.691 58.100 0.082 0.000 1.094 263 Y CB 1.318 39.805 38.460 0.045 0.000 1.210 263 Y HN 0.104 nan 8.280 nan 0.000 0.456 264 V N 5.403 124.864 119.914 -0.755 0.000 2.789 264 V HA 0.880 5.001 4.120 0.002 0.000 0.311 264 V C -0.051 175.503 176.094 -0.901 0.000 1.073 264 V CA 0.252 62.230 62.300 -0.536 0.000 0.921 264 V CB 1.425 33.121 31.823 -0.212 0.000 1.009 264 V HN 1.223 nan 8.190 nan 0.000 0.426 265 G N 3.438 111.995 108.800 -0.404 0.000 2.318 265 G HA2 0.429 4.390 3.960 0.002 0.000 0.367 265 G HA3 0.429 4.390 3.960 0.002 0.000 0.367 265 G C -0.183 174.778 174.900 0.102 0.000 1.260 265 G CA -0.090 44.908 45.100 -0.169 0.000 1.055 265 G HN 1.696 nan 8.290 nan 0.000 0.484 266 A N 1.227 124.134 122.820 0.145 0.000 2.520 266 A HA 0.599 4.920 4.320 0.002 0.000 0.245 266 A C -0.090 177.642 177.584 0.247 0.000 1.072 266 A CA 0.236 52.370 52.037 0.161 0.000 0.761 266 A CB 0.178 19.234 19.000 0.093 0.000 1.004 266 A HN 0.631 nan 8.150 nan 0.000 0.499 267 P HA -0.134 nan 4.420 nan 0.000 0.222 267 P C 0.140 177.454 177.300 0.023 0.000 1.147 267 P CA 1.445 64.596 63.100 0.084 0.000 0.790 267 P CB 0.047 31.779 31.700 0.054 0.000 0.780 268 D N -1.066 119.362 120.400 0.046 0.000 2.643 268 D HA 0.273 4.914 4.640 0.002 0.000 0.244 268 D C 0.279 176.608 176.300 0.049 0.000 1.257 268 D CA -0.873 53.144 54.000 0.029 0.000 0.831 268 D CB -0.563 40.251 40.800 0.024 0.000 1.043 268 D HN -0.008 nan 8.370 nan 0.000 0.488 269 A N 0.548 123.419 122.820 0.086 0.000 2.511 269 A HA 0.120 4.441 4.320 0.002 0.000 0.242 269 A C 0.965 178.605 177.584 0.092 0.000 1.069 269 A CA -0.043 52.061 52.037 0.112 0.000 0.763 269 A CB 0.380 19.513 19.000 0.220 0.000 1.001 269 A HN 0.247 nan 8.150 nan 0.000 0.498 270 E N 0.982 121.233 120.200 0.086 0.000 2.307 270 E HA 0.027 4.378 4.350 0.002 0.000 0.195 270 E C 0.069 176.741 176.600 0.119 0.000 0.975 270 E CA 0.402 56.853 56.400 0.085 0.000 0.878 270 E CB 0.307 30.045 29.700 0.063 0.000 0.845 270 E HN 0.656 nan 8.360 nan 0.000 0.488 271 R N 1.078 121.670 120.500 0.153 0.000 2.393 271 R HA 0.476 4.817 4.340 0.002 0.000 0.315 271 R C -1.253 175.248 176.300 0.335 0.000 0.952 271 R CA -0.410 55.828 56.100 0.229 0.000 0.842 271 R CB 2.389 32.847 30.300 0.264 0.000 1.163 271 R HN -0.145 nan 8.270 nan 0.000 0.450 272 V N 5.008 125.112 119.914 0.317 0.000 2.709 272 V HA 0.489 4.610 4.120 0.002 0.000 0.308 272 V C -0.098 176.165 176.094 0.282 0.000 1.062 272 V CA -0.776 61.737 62.300 0.355 0.000 0.901 272 V CB 2.409 34.426 31.823 0.323 0.000 1.003 272 V HN 0.636 nan 8.190 nan 0.000 0.425 273 I N 3.426 124.150 120.570 0.256 0.000 2.498 273 I HA 0.514 4.685 4.170 0.002 0.000 0.301 273 I C -0.671 175.586 176.117 0.233 0.000 0.984 273 I CA -0.881 60.509 61.300 0.150 0.000 1.204 273 I CB 2.124 40.131 38.000 0.012 0.000 1.362 273 I HN 0.258 nan 8.210 nan 0.000 0.471 274 V N 4.583 124.647 119.914 0.250 0.000 2.384 274 V HA 0.493 4.614 4.120 0.002 0.000 0.287 274 V C -0.127 176.123 176.094 0.260 0.000 1.020 274 V CA -0.117 62.381 62.300 0.329 0.000 0.850 274 V CB 1.376 33.461 31.823 0.437 0.000 0.987 274 V HN 0.812 nan 8.190 nan 0.000 0.436 275 S N 4.482 120.338 115.700 0.261 0.000 2.671 275 S HA 0.871 5.342 4.470 0.002 0.000 0.277 275 S C -1.197 173.565 174.600 0.270 0.000 1.165 275 S CA -0.657 57.673 58.200 0.217 0.000 0.822 275 S CB 1.964 65.212 63.200 0.081 0.000 1.150 275 S HN 0.702 nan 8.310 nan 0.000 0.479 276 M N 1.466 121.244 119.600 0.296 0.000 2.433 276 M HA 0.608 5.089 4.480 0.002 0.000 0.290 276 M C -0.089 176.424 176.300 0.355 0.000 1.173 276 M CA 0.773 56.245 55.300 0.288 0.000 0.905 276 M CB 1.565 34.340 32.600 0.291 0.000 1.692 276 M HN 1.186 nan 8.290 nan 0.000 0.462 277 G N 1.541 110.482 108.800 0.235 0.000 2.584 277 G HA2 -0.263 3.698 3.960 0.002 0.000 0.229 277 G HA3 -0.263 3.698 3.960 0.002 0.000 0.229 277 G C 0.365 175.413 174.900 0.246 0.000 1.320 277 G CA 0.321 45.578 45.100 0.262 0.000 0.891 277 G HN 1.355 nan 8.290 nan 0.000 0.573 278 S N -0.377 115.480 115.700 0.261 0.000 2.419 278 S HA -0.128 4.343 4.470 0.002 0.000 0.235 278 S C 2.611 177.355 174.600 0.241 0.000 1.019 278 S CA 2.561 60.898 58.200 0.229 0.000 0.982 278 S CB -0.729 62.605 63.200 0.223 0.000 0.789 278 S HN 2.298 nan 8.310 nan 0.000 0.490 279 S N 0.864 116.726 115.700 0.271 0.000 2.419 279 S HA -0.128 4.343 4.470 0.002 0.000 0.235 279 S C 1.924 176.663 174.600 0.232 0.000 1.019 279 S CA 0.976 59.342 58.200 0.277 0.000 0.982 279 S CB -1.503 61.684 63.200 -0.022 0.000 0.789 279 S HN 0.697 nan 8.310 nan 0.000 0.490 280 C N 1.934 121.348 119.300 0.191 0.000 2.422 280 C HA 0.036 4.497 4.460 0.002 0.000 0.279 280 C C 2.946 178.029 174.990 0.156 0.000 1.305 280 C CA 0.483 59.601 59.018 0.167 0.000 1.757 280 C CB -1.112 26.723 27.740 0.157 0.000 1.962 280 C HN 0.597 nan 8.230 nan 0.000 0.499 281 E N 0.700 120.996 120.200 0.159 0.000 2.051 281 E HA -0.154 4.197 4.350 0.002 0.000 0.192 281 E C 2.207 178.897 176.600 0.150 0.000 0.991 281 E CA 1.680 58.161 56.400 0.134 0.000 0.799 281 E CB -0.776 28.996 29.700 0.119 0.000 0.748 281 E HN 0.583 nan 8.360 nan 0.000 0.449 282 T N 1.703 116.376 114.554 0.199 0.000 2.788 282 T HA -0.081 4.270 4.350 0.002 0.000 0.268 282 T C 2.121 176.905 174.700 0.139 0.000 1.044 282 T CA 0.800 63.025 62.100 0.208 0.000 1.139 282 T CB -0.171 68.834 68.868 0.229 0.000 0.867 282 T HN 0.085 nan 8.240 nan 0.000 0.454 283 I N 0.778 121.447 120.570 0.165 0.000 2.252 283 I HA -0.141 4.030 4.170 0.002 0.000 0.245 283 I C 2.697 178.905 176.117 0.152 0.000 1.102 283 I CA 1.290 62.691 61.300 0.167 0.000 1.385 283 I CB -0.300 37.816 38.000 0.194 0.000 1.064 283 I HN 0.301 nan 8.210 nan 0.000 0.414 284 E N 1.143 121.415 120.200 0.120 0.000 2.058 284 E HA -0.326 4.025 4.350 0.002 0.000 0.194 284 E C 2.115 178.763 176.600 0.080 0.000 0.997 284 E CA 1.710 58.157 56.400 0.078 0.000 0.801 284 E CB -0.078 29.655 29.700 0.055 0.000 0.746 284 E HN 0.444 nan 8.360 nan 0.000 0.450 285 E N -0.262 119.996 120.200 0.096 0.000 2.097 285 E HA -0.214 4.137 4.350 0.002 0.000 0.196 285 E C 2.039 178.708 176.600 0.114 0.000 1.000 285 E CA 1.689 58.149 56.400 0.100 0.000 0.804 285 E CB 0.089 29.868 29.700 0.132 0.000 0.740 285 E HN 0.211 nan 8.360 nan 0.000 0.454 286 V N 0.958 120.945 119.914 0.121 0.000 2.379 286 V HA -0.232 3.889 4.120 0.002 0.000 0.245 286 V C 2.338 178.520 176.094 0.147 0.000 1.044 286 V CA 1.525 63.916 62.300 0.153 0.000 1.036 286 V CB -0.375 31.534 31.823 0.143 0.000 0.664 286 V HN 0.320 nan 8.190 nan 0.000 0.453 287 I N 0.736 121.363 120.570 0.094 0.000 2.208 287 I HA -0.291 3.880 4.170 0.002 0.000 0.245 287 I C 2.231 178.365 176.117 0.027 0.000 1.097 287 I CA 2.087 63.391 61.300 0.008 0.000 1.363 287 I CB -0.635 37.358 38.000 -0.011 0.000 1.051 287 I HN 0.420 nan 8.210 nan 0.000 0.413 288 N N -0.608 118.125 118.700 0.056 0.000 2.120 288 N HA -0.258 4.483 4.740 0.002 0.000 0.188 288 N C 2.023 177.575 175.510 0.070 0.000 1.024 288 N CA 0.992 54.071 53.050 0.048 0.000 0.852 288 N CB -0.260 38.257 38.487 0.051 0.000 1.003 288 N HN 0.439 nan 8.380 nan 0.000 0.424 289 H N 0.928 120.010 119.070 0.019 0.000 2.326 289 H HA -0.043 4.514 4.556 0.002 0.000 0.301 289 H C 1.878 177.220 175.328 0.023 0.000 1.081 289 H CA 1.171 57.231 56.048 0.021 0.000 1.334 289 H CB 0.043 29.824 29.762 0.032 0.000 1.385 289 H HN 0.093 nan 8.280 nan 0.000 0.504 290 L N 0.971 122.285 121.223 0.152 0.000 2.109 290 L HA -0.010 4.331 4.340 0.002 0.000 0.207 290 L C 3.016 179.863 176.870 -0.039 0.000 1.086 290 L CA 1.596 56.472 54.840 0.061 0.000 0.760 290 L CB -1.439 40.647 42.059 0.046 0.000 0.910 290 L HN 0.317 nan 8.230 nan 0.000 0.437 291 A N -0.532 122.263 122.820 -0.043 0.000 1.902 291 A HA -0.153 4.168 4.320 0.002 0.000 0.217 291 A C 2.389 179.945 177.584 -0.046 0.000 1.181 291 A CA 1.675 53.686 52.037 -0.044 0.000 0.623 291 A CB -0.850 18.131 19.000 -0.032 0.000 0.818 291 A HN 0.372 nan 8.150 nan 0.000 0.443 292 A N -0.763 122.020 122.820 -0.062 0.000 2.178 292 A HA -0.078 4.243 4.320 0.002 0.000 0.218 292 A C 1.813 179.342 177.584 -0.091 0.000 1.157 292 A CA 1.541 53.533 52.037 -0.074 0.000 0.689 292 A CB -0.322 18.622 19.000 -0.093 0.000 0.787 292 A HN 0.544 nan 8.150 nan 0.000 0.465 293 K N -1.616 118.725 120.400 -0.100 0.000 2.372 293 K HA 0.300 4.621 4.320 0.002 0.000 0.200 293 K C 0.900 177.473 176.600 -0.044 0.000 1.022 293 K CA 0.413 56.652 56.287 -0.081 0.000 1.125 293 K CB 0.264 32.708 32.500 -0.093 0.000 0.855 293 K HN 0.553 nan 8.250 nan 0.000 0.524 294 G N 1.574 110.352 108.800 -0.038 0.000 2.157 294 G HA2 -0.231 3.730 3.960 0.002 0.000 0.239 294 G HA3 -0.231 3.730 3.960 0.002 0.000 0.239 294 G C -0.336 174.550 174.900 -0.024 0.000 0.982 294 G CA -0.328 44.758 45.100 -0.024 0.000 0.650 294 G HN 0.317 nan 8.290 nan 0.000 0.527 295 E N 0.581 120.758 120.200 -0.038 0.000 2.338 295 E HA 0.310 4.661 4.350 0.002 0.000 0.272 295 E C -0.098 176.471 176.600 -0.050 0.000 1.029 295 E CA -0.329 56.040 56.400 -0.050 0.000 0.872 295 E CB 0.570 30.220 29.700 -0.084 0.000 1.015 295 E HN -0.045 nan 8.360 nan 0.000 0.417 296 K N 3.595 123.977 120.400 -0.030 0.000 2.187 296 K HA 0.280 4.601 4.320 0.002 0.000 0.242 296 K C 0.053 176.650 176.600 -0.005 0.000 1.179 296 K CA -0.038 56.248 56.287 -0.001 0.000 1.097 296 K CB -1.089 31.424 32.500 0.022 0.000 1.634 296 K HN 0.450 nan 8.250 nan 0.000 0.335 297 I N -3.098 117.440 120.570 -0.053 0.000 3.042 297 I HA 0.904 5.075 4.170 0.002 0.000 0.310 297 I C -0.009 176.120 176.117 0.021 0.000 1.117 297 I CA -1.124 60.121 61.300 -0.092 0.000 1.003 297 I CB 2.716 40.381 38.000 -0.559 0.000 1.228 297 I HN 0.243 nan 8.210 nan 0.000 0.443 298 G N 2.356 111.259 108.800 0.171 0.000 2.663 298 G HA2 0.651 4.612 3.960 0.002 0.000 0.299 298 G HA3 0.651 4.612 3.960 0.002 0.000 0.299 298 G C -2.321 172.698 174.900 0.198 0.000 1.372 298 G CA -0.731 44.440 45.100 0.119 0.000 0.781 298 G HN 0.812 nan 8.290 nan 0.000 0.491 299 L N -0.514 120.671 121.223 -0.063 0.000 2.455 299 L HA 0.775 5.116 4.340 0.002 0.000 0.264 299 L C -1.388 175.540 176.870 0.098 0.000 0.968 299 L CA -0.696 54.202 54.840 0.095 0.000 0.827 299 L CB 1.932 44.041 42.059 0.082 0.000 1.317 299 L HN 0.502 nan 8.230 nan 0.000 0.407 300 I N 4.331 125.061 120.570 0.266 0.000 2.321 300 I HA 0.378 4.549 4.170 0.002 0.000 0.291 300 I C -0.282 176.024 176.117 0.315 0.000 0.998 300 I CA -0.585 60.906 61.300 0.319 0.000 1.227 300 I CB 1.196 39.393 38.000 0.328 0.000 1.368 300 I HN 0.539 nan 8.210 nan 0.000 0.466 301 K N 6.002 126.569 120.400 0.279 0.000 2.234 301 K HA 0.396 4.717 4.320 0.002 0.000 0.277 301 K C -0.567 176.189 176.600 0.261 0.000 1.038 301 K CA -0.563 55.870 56.287 0.243 0.000 0.888 301 K CB 2.334 34.943 32.500 0.182 0.000 1.091 301 K HN 0.425 nan 8.250 nan 0.000 0.467 302 V N 3.703 123.766 119.914 0.248 0.000 2.432 302 V HA 0.259 4.380 4.120 0.002 0.000 0.275 302 V C 0.335 176.413 176.094 -0.025 0.000 1.043 302 V CA -0.027 62.332 62.300 0.099 0.000 0.925 302 V CB 1.307 33.286 31.823 0.261 0.000 0.985 302 V HN 0.745 nan 8.190 nan 0.000 0.466 303 R N 4.231 124.618 120.500 -0.188 0.000 2.040 303 R HA 0.449 4.790 4.340 0.002 0.000 0.209 303 R C 0.230 176.450 176.300 -0.134 0.000 1.281 303 R CA 0.429 56.449 56.100 -0.134 0.000 1.064 303 R CB -0.400 29.839 30.300 -0.102 0.000 0.950 303 R HN 0.658 nan 8.270 nan 0.000 0.462 304 L N 1.794 122.870 121.223 -0.245 0.000 2.312 304 L HA 0.165 4.506 4.340 0.002 0.000 0.287 304 L C 0.194 176.997 176.870 -0.111 0.000 1.091 304 L CA 0.016 54.778 54.840 -0.130 0.000 0.846 304 L CB 0.560 42.546 42.059 -0.122 0.000 1.219 304 L HN 0.265 nan 8.230 nan 0.000 0.439 305 Y N 4.963 125.272 120.300 0.014 0.000 2.314 305 Y HA 0.258 4.809 4.550 0.002 0.000 0.294 305 Y C 0.500 176.541 175.900 0.235 0.000 1.119 305 Y CA 0.676 58.890 58.100 0.190 0.000 1.179 305 Y CB 0.315 38.934 38.460 0.264 0.000 1.025 305 Y HN 0.420 nan 8.280 nan 0.000 0.541 306 R N 0.392 120.890 120.500 -0.003 0.000 2.621 306 R HA 0.328 4.669 4.340 0.002 0.000 0.284 306 R C -2.970 173.296 176.300 -0.058 0.000 0.998 306 R CA -2.580 53.476 56.100 -0.073 0.000 0.895 306 R CB 1.189 31.458 30.300 -0.053 0.000 1.195 306 R HN -0.047 nan 8.270 nan 0.000 0.450 307 P HA -0.040 nan 4.420 nan 0.000 0.264 307 P C -0.526 176.807 177.300 0.056 0.000 1.183 307 P CA 0.159 63.285 63.100 0.044 0.000 0.763 307 P CB 0.198 31.957 31.700 0.097 0.000 0.807 308 F N 4.749 124.655 119.950 -0.074 0.000 2.413 308 F HA 0.232 4.760 4.527 0.002 0.000 0.359 308 F C -0.294 175.552 175.800 0.076 0.000 1.122 308 F CA -0.181 57.813 58.000 -0.010 0.000 1.160 308 F CB 0.396 39.324 39.000 -0.120 0.000 1.146 308 F HN -0.025 nan 8.300 nan 0.000 0.514 309 V N 6.775 126.647 119.914 -0.070 0.000 2.318 309 V HA 0.098 4.219 4.120 0.002 0.000 0.271 309 V C 0.796 176.825 176.094 -0.108 0.000 1.030 309 V CA -0.113 62.197 62.300 0.017 0.000 0.844 309 V CB 0.792 32.669 31.823 0.090 0.000 1.015 309 V HN 0.925 nan 8.190 nan 0.000 0.460 310 S N 3.096 118.779 115.700 -0.029 0.000 2.399 310 S HA -0.186 4.285 4.470 0.002 0.000 0.231 310 S C 1.895 176.476 174.600 -0.031 0.000 1.022 310 S CA 1.722 59.865 58.200 -0.096 0.000 0.983 310 S CB -0.047 63.203 63.200 0.083 0.000 0.803 310 S HN 0.967 nan 8.310 nan 0.000 0.480 311 E N 1.498 121.746 120.200 0.080 0.000 2.150 311 E HA -0.101 4.250 4.350 0.002 0.000 0.193 311 E C 1.932 178.563 176.600 0.051 0.000 0.985 311 E CA 1.066 57.541 56.400 0.126 0.000 0.814 311 E CB -0.255 29.506 29.700 0.101 0.000 0.752 311 E HN 0.476 nan 8.360 nan 0.000 0.466 312 A N 0.502 123.328 122.820 0.010 0.000 1.970 312 A HA -0.021 4.300 4.320 0.002 0.000 0.216 312 A C 1.882 179.358 177.584 -0.181 0.000 1.170 312 A CA 0.707 52.776 52.037 0.055 0.000 0.645 312 A CB -0.695 18.467 19.000 0.270 0.000 0.816 312 A HN 0.480 nan 8.150 nan 0.000 0.447 313 F N -0.239 119.175 119.950 -0.894 0.000 2.146 313 F HA -0.074 4.454 4.527 0.002 0.000 0.298 313 F C 1.795 177.220 175.800 -0.625 0.000 1.096 313 F CA 1.404 58.616 58.000 -1.314 0.000 1.275 313 F CB -0.403 37.685 39.000 -1.519 0.000 1.008 313 F HN 0.224 nan 8.300 nan 0.000 0.480 314 F N 0.246 119.999 119.950 -0.328 0.000 2.234 314 F HA -0.058 4.470 4.527 0.002 0.000 0.299 314 F C 2.555 178.193 175.800 -0.270 0.000 1.087 314 F CA 0.682 58.488 58.000 -0.324 0.000 1.340 314 F CB -0.819 38.080 39.000 -0.168 0.000 1.031 314 F HN 0.070 nan 8.300 nan 0.000 0.500 315 A N -0.038 122.764 122.820 -0.030 0.000 2.024 315 A HA -0.099 4.222 4.320 0.002 0.000 0.220 315 A C 2.160 179.701 177.584 -0.073 0.000 1.164 315 A CA 1.722 53.742 52.037 -0.027 0.000 0.643 315 A CB -0.876 18.133 19.000 0.015 0.000 0.806 315 A HN 0.312 nan 8.150 nan 0.000 0.451 316 A N -1.589 121.138 122.820 -0.155 0.000 2.267 316 A HA 0.478 4.799 4.320 0.002 0.000 0.213 316 A C 0.750 178.174 177.584 -0.266 0.000 1.192 316 A CA -0.179 51.787 52.037 -0.119 0.000 0.851 316 A CB -0.017 18.983 19.000 0.000 0.000 0.881 316 A HN 0.414 nan 8.150 nan 0.000 0.494 317 L N 1.872 122.886 121.223 -0.347 0.000 2.265 317 L HA 0.374 4.715 4.340 0.002 0.000 0.288 317 L C -2.694 174.023 176.870 -0.254 0.000 1.058 317 L CA -1.954 52.695 54.840 -0.318 0.000 0.809 317 L CB 1.555 43.454 42.059 -0.268 0.000 1.179 317 L HN 0.037 nan 8.230 nan 0.000 0.429 318 P HA 0.092 nan 4.420 nan 0.000 0.271 318 P C 0.233 177.478 177.300 -0.091 0.000 1.216 318 P CA -0.149 62.796 63.100 -0.258 0.000 0.771 318 P CB 1.055 32.583 31.700 -0.287 0.000 0.864 319 A N 2.820 125.601 122.820 -0.065 0.000 2.076 319 A HA -0.165 4.156 4.320 0.002 0.000 0.220 319 A C 1.876 179.463 177.584 0.005 0.000 1.160 319 A CA 1.965 53.992 52.037 -0.018 0.000 0.653 319 A CB -1.225 17.760 19.000 -0.025 0.000 0.801 319 A HN 0.588 nan 8.150 nan 0.000 0.455 320 S N -0.329 115.369 115.700 -0.002 0.000 2.562 320 S HA 0.441 4.912 4.470 0.002 0.000 0.221 320 S C 0.983 175.609 174.600 0.043 0.000 0.975 320 S CA 0.221 58.433 58.200 0.019 0.000 0.918 320 S CB -0.601 62.609 63.200 0.016 0.000 0.772 320 S HN 0.873 nan 8.310 nan 0.000 0.531 321 A N 1.712 124.565 122.820 0.056 0.000 2.520 321 A HA 0.341 4.662 4.320 0.002 0.000 0.245 321 A C 0.947 178.584 177.584 0.088 0.000 1.072 321 A CA -0.154 51.938 52.037 0.092 0.000 0.761 321 A CB 0.188 19.265 19.000 0.129 0.000 1.004 321 A HN 0.490 nan 8.150 nan 0.000 0.499 322 K N 1.140 121.587 120.400 0.079 0.000 2.399 322 K HA 0.294 4.615 4.320 0.002 0.000 0.196 322 K C -0.575 176.055 176.600 0.049 0.000 1.117 322 K CA 0.407 56.728 56.287 0.057 0.000 0.965 322 K CB 0.883 33.412 32.500 0.048 0.000 0.983 322 K HN 0.498 nan 8.250 nan 0.000 0.531 323 V N 2.271 122.229 119.914 0.074 0.000 2.841 323 V HA 0.464 4.585 4.120 0.002 0.000 0.310 323 V C -1.003 175.157 176.094 0.111 0.000 1.090 323 V CA -1.060 61.282 62.300 0.071 0.000 0.930 323 V CB 2.233 34.103 31.823 0.080 0.000 1.014 323 V HN 0.171 nan 8.190 nan 0.000 0.425 324 I N 2.046 122.676 120.570 0.100 0.000 2.619 324 I HA 0.810 4.981 4.170 0.002 0.000 0.292 324 I C -0.645 175.561 176.117 0.148 0.000 1.100 324 I CA -0.153 61.243 61.300 0.161 0.000 1.043 324 I CB 2.509 40.650 38.000 0.234 0.000 1.239 324 I HN 0.732 nan 8.210 nan 0.000 0.420 325 T N 6.079 120.725 114.554 0.154 0.000 2.792 325 T HA 0.610 4.961 4.350 0.002 0.000 0.280 325 T C -0.868 173.918 174.700 0.143 0.000 0.990 325 T CA -0.435 61.745 62.100 0.133 0.000 0.960 325 T CB 1.177 70.138 68.868 0.155 0.000 0.939 325 T HN 0.452 nan 8.240 nan 0.000 0.439 326 V N 6.446 126.445 119.914 0.143 0.000 2.350 326 V HA 0.436 4.557 4.120 0.002 0.000 0.276 326 V C -0.417 175.722 176.094 0.075 0.000 1.028 326 V CA -0.950 61.457 62.300 0.180 0.000 0.860 326 V CB 0.848 32.837 31.823 0.276 0.000 0.990 326 V HN 0.730 nan 8.190 nan 0.000 0.453 327 L N 4.826 126.098 121.223 0.082 0.000 2.275 327 L HA 0.527 4.868 4.340 0.002 0.000 0.288 327 L C 0.192 177.203 176.870 0.234 0.000 1.046 327 L CA 0.180 55.052 54.840 0.053 0.000 0.805 327 L CB 1.055 43.026 42.059 -0.146 0.000 1.193 327 L HN 0.606 nan 8.230 nan 0.000 0.426 328 D N 2.991 123.512 120.400 0.203 0.000 2.256 328 D HA 0.262 4.903 4.640 0.002 0.000 0.246 328 D C 0.103 176.415 176.300 0.020 0.000 1.042 328 D CA -0.452 53.666 54.000 0.197 0.000 0.841 328 D CB 2.042 42.880 40.800 0.065 0.000 1.223 328 D HN 0.338 nan 8.370 nan 0.000 0.470 329 R N 1.438 121.869 120.500 -0.116 0.000 3.782 329 R HA 0.173 4.514 4.340 0.002 0.000 0.291 329 R C -0.268 175.888 176.300 -0.241 0.000 1.539 329 R CA 0.038 55.768 56.100 -0.617 0.000 1.345 329 R CB 0.202 29.841 30.300 -1.102 0.000 1.408 329 R HN 0.319 nan 8.270 nan 0.000 0.654 330 T N -0.962 113.548 114.554 -0.072 0.000 2.731 330 T HA 0.338 4.689 4.350 0.002 0.000 0.300 330 T C -1.898 172.780 174.700 -0.038 0.000 1.283 330 T CA -0.706 61.398 62.100 0.006 0.000 1.005 330 T CB 1.560 70.541 68.868 0.188 0.000 1.420 330 T HN 0.169 nan 8.240 nan 0.000 0.503 331 K N 1.628 122.014 120.400 -0.023 0.000 2.565 331 K HA 0.389 4.710 4.320 0.002 0.000 0.249 331 K C -1.338 175.246 176.600 -0.028 0.000 0.958 331 K CA -0.407 55.859 56.287 -0.034 0.000 0.806 331 K CB 1.340 33.824 32.500 -0.025 0.000 1.194 331 K HN 0.583 nan 8.250 nan 0.000 0.434 332 E N 5.161 125.335 120.200 -0.043 0.000 2.173 332 E HA 0.220 4.571 4.350 0.002 0.000 0.249 332 E C -2.419 174.162 176.600 -0.032 0.000 0.923 332 E CA -2.013 54.364 56.400 -0.038 0.000 0.754 332 E CB 1.129 30.794 29.700 -0.058 0.000 1.177 332 E HN 0.370 nan 8.360 nan 0.000 0.430 333 P HA -0.051 nan 4.420 nan 0.000 0.262 333 P C 0.914 178.199 177.300 -0.025 0.000 1.182 333 P CA 0.823 63.910 63.100 -0.021 0.000 0.761 333 P CB 0.617 32.312 31.700 -0.008 0.000 0.795 334 G N 1.782 110.562 108.800 -0.034 0.000 2.253 334 G HA2 -0.215 3.746 3.960 0.002 0.000 0.251 334 G HA3 -0.215 3.746 3.960 0.002 0.000 0.251 334 G C 0.503 175.379 174.900 -0.039 0.000 0.998 334 G CA 0.052 45.131 45.100 -0.035 0.000 0.621 334 G HN 0.877 nan 8.290 nan 0.000 0.524 335 A N 1.108 123.905 122.820 -0.039 0.000 2.425 335 A HA 0.642 4.963 4.320 0.002 0.000 0.242 335 A C 0.153 177.714 177.584 -0.038 0.000 1.077 335 A CA 0.033 52.051 52.037 -0.032 0.000 0.781 335 A CB 0.390 19.372 19.000 -0.030 0.000 1.020 335 A HN 0.257 nan 8.150 nan 0.000 0.494 336 P HA 0.164 nan 4.420 nan 0.000 0.233 336 P C 0.510 177.862 177.300 0.087 0.000 1.167 336 P CA 1.342 64.442 63.100 -0.000 0.000 0.770 336 P CB 0.211 31.929 31.700 0.030 0.000 0.837 337 G N -0.852 108.015 108.800 0.112 0.000 2.368 337 G HA2 0.198 4.159 3.960 0.002 0.000 0.293 337 G HA3 0.198 4.159 3.960 0.002 0.000 0.293 337 G C -1.947 173.015 174.900 0.102 0.000 1.467 337 G CA -0.631 44.586 45.100 0.195 0.000 0.804 337 G HN -0.204 nan 8.290 nan 0.000 0.535 338 D N 0.278 120.710 120.400 0.054 0.000 2.358 338 D HA 0.329 4.970 4.640 0.002 0.000 0.244 338 D C -1.302 174.942 176.300 -0.094 0.000 1.163 338 D CA -1.258 52.699 54.000 -0.072 0.000 0.945 338 D CB 1.729 42.466 40.800 -0.105 0.000 1.152 338 D HN -0.027 nan 8.370 nan 0.000 0.451 339 P HA -0.100 nan 4.420 nan 0.000 0.216 339 P C 1.504 178.746 177.300 -0.097 0.000 1.153 339 P CA 0.603 63.511 63.100 -0.319 0.000 0.848 339 P CB 0.253 31.514 31.700 -0.732 0.000 0.787 340 L N -1.886 119.323 121.223 -0.023 0.000 2.156 340 L HA -0.090 4.251 4.340 0.002 0.000 0.208 340 L C 2.370 179.296 176.870 0.094 0.000 1.095 340 L CA 1.489 56.442 54.840 0.190 0.000 0.770 340 L CB -1.373 40.883 42.059 0.328 0.000 0.914 340 L HN -0.100 nan 8.230 nan 0.000 0.439 341 Y N -0.630 119.654 120.300 -0.026 0.000 2.097 341 Y HA -0.270 4.281 4.550 0.002 0.000 0.282 341 Y C 2.165 178.022 175.900 -0.071 0.000 1.152 341 Y CA 1.891 59.966 58.100 -0.042 0.000 1.136 341 Y CB -0.372 38.051 38.460 -0.061 0.000 0.975 341 Y HN 0.158 nan 8.280 nan 0.000 0.498 342 L N 0.873 121.983 121.223 -0.187 0.000 2.042 342 L HA -0.238 4.103 4.340 0.002 0.000 0.210 342 L C 2.075 178.748 176.870 -0.327 0.000 1.076 342 L CA 1.899 56.571 54.840 -0.281 0.000 0.749 342 L CB -1.288 40.697 42.059 -0.124 0.000 0.893 342 L HN 0.296 nan 8.230 nan 0.000 0.432 343 D N -0.994 119.188 120.400 -0.362 0.000 2.097 343 D HA -0.137 4.504 4.640 0.002 0.000 0.195 343 D C 2.382 178.302 176.300 -0.633 0.000 0.989 343 D CA 1.165 54.778 54.000 -0.644 0.000 0.827 343 D CB -0.165 40.005 40.800 -1.051 0.000 0.966 343 D HN 0.144 nan 8.370 nan 0.000 0.456 344 V N 0.665 120.298 119.914 -0.468 0.000 2.407 344 V HA -0.251 3.870 4.120 0.002 0.000 0.248 344 V C 2.691 178.708 176.094 -0.128 0.000 1.055 344 V CA 1.155 63.245 62.300 -0.351 0.000 1.049 344 V CB -0.487 31.217 31.823 -0.199 0.000 0.662 344 V HN 0.286 nan 8.190 nan 0.000 0.455 345 C N 0.670 119.815 119.300 -0.258 0.000 2.413 345 C HA -0.156 4.305 4.460 0.002 0.000 0.276 345 C C 3.281 178.248 174.990 -0.038 0.000 1.248 345 C CA 1.545 60.465 59.018 -0.162 0.000 1.742 345 C CB -1.145 26.380 27.740 -0.359 0.000 2.017 345 C HN 0.777 nan 8.230 nan 0.000 0.481 346 S N 1.711 117.336 115.700 -0.124 0.000 2.382 346 S HA -0.090 4.381 4.470 0.002 0.000 0.228 346 S C 1.961 176.557 174.600 -0.007 0.000 1.027 346 S CA 1.443 59.600 58.200 -0.072 0.000 0.991 346 S CB -0.515 62.612 63.200 -0.120 0.000 0.823 346 S HN 0.616 nan 8.310 nan 0.000 0.469 347 A N 1.075 123.860 122.820 -0.058 0.000 1.902 347 A HA 0.111 4.432 4.320 0.002 0.000 0.217 347 A C 1.924 179.629 177.584 0.201 0.000 1.181 347 A CA 1.401 53.424 52.037 -0.023 0.000 0.623 347 A CB -1.102 17.643 19.000 -0.426 0.000 0.818 347 A HN 0.566 nan 8.150 nan 0.000 0.443 348 F N -0.387 119.717 119.950 0.256 0.000 2.186 348 F HA -0.134 4.394 4.527 0.002 0.000 0.299 348 F C 2.568 178.451 175.800 0.138 0.000 1.090 348 F CA 1.598 59.769 58.000 0.286 0.000 1.307 348 F CB -0.345 38.770 39.000 0.191 0.000 1.019 348 F HN 0.182 nan 8.300 nan 0.000 0.489 349 V N -0.966 119.092 119.914 0.240 0.000 2.358 349 V HA -0.230 3.891 4.120 0.002 0.000 0.246 349 V C 1.942 178.097 176.094 0.101 0.000 1.047 349 V CA 2.245 64.626 62.300 0.135 0.000 1.035 349 V CB -0.557 31.311 31.823 0.076 0.000 0.658 349 V HN 0.385 nan 8.190 nan 0.000 0.452 350 E N 0.044 120.303 120.200 0.100 0.000 2.106 350 E HA -0.199 4.152 4.350 0.002 0.000 0.192 350 E C 2.481 179.118 176.600 0.061 0.000 0.984 350 E CA 1.154 57.599 56.400 0.075 0.000 0.806 350 E CB -0.247 29.502 29.700 0.081 0.000 0.750 350 E HN 0.565 nan 8.360 nan 0.000 0.458 351 R N -0.185 120.356 120.500 0.067 0.000 2.103 351 R HA -0.157 4.184 4.340 0.002 0.000 0.242 351 R C 1.159 177.437 176.300 -0.037 0.000 1.142 351 R CA 1.424 57.493 56.100 -0.051 0.000 0.960 351 R CB -0.407 29.765 30.300 -0.215 0.000 0.858 351 R HN 0.374 nan 8.270 nan 0.000 0.439 352 G N 0.431 109.243 108.800 0.021 0.000 2.176 352 G HA2 -0.290 3.671 3.960 0.002 0.000 0.252 352 G HA3 -0.290 3.671 3.960 0.002 0.000 0.252 352 G C -0.199 174.709 174.900 0.012 0.000 1.024 352 G CA 0.985 46.099 45.100 0.023 0.000 0.755 352 G HN 0.530 nan 8.290 nan 0.000 0.507 353 E N -0.440 119.768 120.200 0.013 0.000 3.010 353 E HA 0.748 5.099 4.350 0.002 0.000 0.199 353 E C 1.068 177.700 176.600 0.055 0.000 0.698 353 E CA -0.556 55.849 56.400 0.008 0.000 1.360 353 E CB 0.203 29.880 29.700 -0.038 0.000 1.860 353 E HN 0.805 nan 8.360 nan 0.000 0.376 354 A N 1.240 124.094 122.820 0.056 0.000 2.567 354 A HA 0.091 4.412 4.320 0.002 0.000 0.240 354 A C -0.366 177.298 177.584 0.133 0.000 1.053 354 A CA 0.550 52.634 52.037 0.077 0.000 0.755 354 A CB -0.144 18.897 19.000 0.069 0.000 0.978 354 A HN 0.261 nan 8.150 nan 0.000 0.507 355 M N 5.012 124.655 119.600 0.071 0.000 2.047 355 M HA 0.267 4.748 4.480 0.002 0.000 0.342 355 M C -1.723 174.544 176.300 -0.054 0.000 1.058 355 M CA -2.530 52.775 55.300 0.008 0.000 0.991 355 M CB 1.070 33.666 32.600 -0.006 0.000 1.474 355 M HN 0.515 nan 8.290 nan 0.000 0.419 356 P HA 0.107 nan 4.420 nan 0.000 0.259 356 P C -0.535 176.702 177.300 -0.105 0.000 1.480 356 P CA -0.121 62.930 63.100 -0.082 0.000 0.842 356 P CB 0.081 31.759 31.700 -0.037 0.000 1.513 357 K N 0.473 120.806 120.400 -0.112 0.000 6.568 357 K HA -0.141 4.180 4.320 0.002 0.000 0.743 357 K C -1.127 175.432 176.600 -0.069 0.000 1.943 357 K CA 0.398 56.648 56.287 -0.062 0.000 1.677 357 K CB -1.893 30.602 32.500 -0.009 0.000 1.940 357 K HN 0.211 nan 8.250 nan 0.000 0.318 358 I N 5.199 125.732 120.570 -0.062 0.000 2.377 358 I HA 0.419 4.590 4.170 0.002 0.000 0.293 358 I C -0.320 175.852 176.117 0.091 0.000 0.987 358 I CA -1.094 60.209 61.300 0.004 0.000 1.185 358 I CB 1.151 39.123 38.000 -0.046 0.000 1.341 358 I HN 0.273 nan 8.210 nan 0.000 0.455 359 L N 5.450 126.725 121.223 0.088 0.000 2.346 359 L HA 0.754 5.095 4.340 0.002 0.000 0.276 359 L C -0.010 176.767 176.870 -0.154 0.000 1.006 359 L CA -0.818 54.016 54.840 -0.011 0.000 0.817 359 L CB 1.652 43.755 42.059 0.075 0.000 1.272 359 L HN 0.681 nan 8.230 nan 0.000 0.421 360 A N 1.677 124.142 122.820 -0.591 0.000 2.305 360 A HA 0.893 5.214 4.320 0.002 0.000 0.322 360 A C 0.027 177.049 177.584 -0.936 0.000 1.187 360 A CA -0.059 51.468 52.037 -0.850 0.000 0.825 360 A CB 1.112 19.200 19.000 -1.520 0.000 1.164 360 A HN 0.773 nan 8.150 nan 0.000 0.498 361 G N 0.835 109.075 108.800 -0.934 0.000 2.682 361 G HA2 0.577 4.538 3.960 0.002 0.000 0.300 361 G HA3 0.577 4.538 3.960 0.002 0.000 0.300 361 G C -0.891 173.701 174.900 -0.514 0.000 1.391 361 G CA -0.704 43.499 45.100 -1.495 0.000 0.990 361 G HN 0.891 nan 8.290 nan 0.000 0.501 362 R N 0.569 120.880 120.500 -0.315 0.000 2.514 362 R HA 0.737 5.078 4.340 0.002 0.000 0.301 362 R C -1.143 175.224 176.300 0.110 0.000 0.962 362 R CA -0.756 55.308 56.100 -0.059 0.000 0.882 362 R CB 1.323 31.572 30.300 -0.085 0.000 1.143 362 R HN 0.734 nan 8.270 nan 0.000 0.452 363 Y N 0.308 120.536 120.300 -0.121 0.000 2.689 363 Y HA 0.581 5.132 4.550 0.002 0.000 0.333 363 Y C 0.543 176.372 175.900 -0.119 0.000 1.190 363 Y CA -1.032 57.008 58.100 -0.100 0.000 1.063 363 Y CB 0.609 38.872 38.460 -0.327 0.000 1.294 363 Y HN 0.719 nan 8.280 nan 0.000 0.466 364 G N 0.395 109.115 108.800 -0.132 0.000 2.175 364 G HA2 -0.281 3.680 3.960 0.002 0.000 0.265 364 G HA3 -0.281 3.680 3.960 0.002 0.000 0.265 364 G C -0.488 174.280 174.900 -0.221 0.000 0.979 364 G CA 0.195 45.166 45.100 -0.214 0.000 0.663 364 G HN 0.650 nan 8.290 nan 0.000 0.533 365 L N 0.659 121.778 121.223 -0.173 0.000 2.525 365 L HA 0.470 4.811 4.340 0.002 0.000 0.278 365 L C 1.790 178.637 176.870 -0.039 0.000 1.218 365 L CA 1.687 56.460 54.840 -0.111 0.000 0.878 365 L CB 0.298 42.314 42.059 -0.070 0.000 1.127 365 L HN 1.349 nan 8.230 nan 0.000 0.492 366 G N 2.836 111.642 108.800 0.010 0.000 2.305 366 G HA2 -0.307 3.654 3.960 0.002 0.000 0.287 366 G HA3 -0.307 3.654 3.960 0.002 0.000 0.287 366 G C 0.752 175.696 174.900 0.074 0.000 1.036 366 G CA 0.493 45.647 45.100 0.090 0.000 0.887 366 G HN 0.876 nan 8.290 nan 0.000 0.505 367 S N -2.333 113.414 115.700 0.078 0.000 3.561 367 S HA -0.236 4.235 4.470 0.002 0.000 0.318 367 S C 1.019 175.604 174.600 -0.024 0.000 1.181 367 S CA 1.789 60.027 58.200 0.063 0.000 0.916 367 S CB -0.636 62.642 63.200 0.129 0.000 0.966 367 S HN 1.484 nan 8.310 nan 0.000 0.550 368 K N 2.672 123.061 120.400 -0.020 0.000 2.484 368 K HA 0.100 4.421 4.320 0.002 0.000 0.280 368 K C 0.313 176.951 176.600 0.064 0.000 1.013 368 K CA 0.331 56.618 56.287 -0.001 0.000 1.029 368 K CB 0.384 32.898 32.500 0.023 0.000 0.902 368 K HN 0.143 nan 8.250 nan 0.000 0.481 369 E N 2.639 122.866 120.200 0.045 0.000 2.508 369 E HA -0.113 4.238 4.350 0.002 0.000 0.266 369 E C -0.676 176.057 176.600 0.221 0.000 1.010 369 E CA 0.676 57.127 56.400 0.086 0.000 0.955 369 E CB 0.121 29.841 29.700 0.033 0.000 0.946 369 E HN 0.546 nan 8.360 nan 0.000 0.454 370 F N 2.204 122.192 119.950 0.064 0.000 2.824 370 F HA 0.135 4.663 4.527 0.002 0.000 0.375 370 F C -0.018 175.772 175.800 -0.016 0.000 1.190 370 F CA -0.414 57.626 58.000 0.067 0.000 1.180 370 F CB 0.434 39.539 39.000 0.176 0.000 1.477 370 F HN 0.296 nan 8.300 nan 0.000 0.542 371 S N 3.530 118.991 115.700 -0.398 0.000 2.693 371 S HA 0.510 4.981 4.470 0.002 0.000 0.276 371 S C -2.042 172.157 174.600 -0.668 0.000 1.192 371 S CA -1.202 56.672 58.200 -0.543 0.000 0.994 371 S CB 1.534 64.534 63.200 -0.334 0.000 1.012 371 S HN 0.335 nan 8.310 nan 0.000 0.550 372 P HA -0.100 nan 4.420 nan 0.000 0.216 372 P C 1.520 178.689 177.300 -0.218 0.000 1.150 372 P CA 2.064 64.961 63.100 -0.339 0.000 0.843 372 P CB -0.261 31.314 31.700 -0.208 0.000 0.787 373 A N -1.345 121.385 122.820 -0.150 0.000 1.972 373 A HA -0.177 4.144 4.320 0.002 0.000 0.219 373 A C 2.151 179.530 177.584 -0.342 0.000 1.169 373 A CA 1.714 53.627 52.037 -0.207 0.000 0.635 373 A CB -1.324 17.644 19.000 -0.054 0.000 0.810 373 A HN 0.138 nan 8.150 nan 0.000 0.446 374 M N -0.923 118.455 119.600 -0.370 0.000 2.200 374 M HA -0.082 4.399 4.480 0.002 0.000 0.265 374 M C 2.022 178.073 176.300 -0.415 0.000 1.066 374 M CA 0.990 56.074 55.300 -0.359 0.000 1.127 374 M CB -0.265 32.103 32.600 -0.386 0.000 1.379 374 M HN 0.241 nan 8.290 nan 0.000 0.420 375 V N 0.631 120.208 119.914 -0.562 0.000 2.343 375 V HA -0.265 3.856 4.120 0.002 0.000 0.247 375 V C 2.361 178.318 176.094 -0.229 0.000 1.051 375 V CA 1.878 63.956 62.300 -0.370 0.000 1.036 375 V CB -0.745 30.918 31.823 -0.266 0.000 0.654 375 V HN 0.390 nan 8.190 nan 0.000 0.451 376 K N 0.835 121.016 120.400 -0.364 0.000 2.032 376 K HA -0.194 4.127 4.320 0.002 0.000 0.209 376 K C 2.434 178.870 176.600 -0.273 0.000 1.048 376 K CA 2.120 58.148 56.287 -0.432 0.000 0.927 376 K CB -0.934 30.890 32.500 -1.127 0.000 0.712 376 K HN 0.345 nan 8.250 nan 0.000 0.441 377 S N -0.692 114.832 115.700 -0.293 0.000 2.383 377 S HA -0.096 4.375 4.470 0.002 0.000 0.229 377 S C 1.833 176.285 174.600 -0.247 0.000 1.030 377 S CA 1.369 59.426 58.200 -0.238 0.000 1.002 377 S CB -0.324 62.742 63.200 -0.223 0.000 0.829 377 S HN 0.183 nan 8.310 nan 0.000 0.467 378 V N 0.328 120.095 119.914 -0.245 0.000 2.358 378 V HA -0.122 3.999 4.120 0.002 0.000 0.246 378 V C 1.961 177.919 176.094 -0.226 0.000 1.047 378 V CA 1.836 63.980 62.300 -0.260 0.000 1.035 378 V CB -0.866 30.853 31.823 -0.173 0.000 0.658 378 V HN 0.593 nan 8.190 nan 0.000 0.452 379 Y N 0.225 120.477 120.300 -0.080 0.000 2.242 379 Y HA -0.190 4.361 4.550 0.002 0.000 0.291 379 Y C 2.539 178.400 175.900 -0.066 0.000 1.137 379 Y CA 1.388 59.459 58.100 -0.048 0.000 1.181 379 Y CB -0.089 38.339 38.460 -0.053 0.000 0.989 379 Y HN 0.294 nan 8.280 nan 0.000 0.527 380 D N -0.387 120.032 120.400 0.032 0.000 2.144 380 D HA -0.168 4.473 4.640 0.002 0.000 0.200 380 D C 1.758 178.032 176.300 -0.044 0.000 0.978 380 D CA 0.994 54.983 54.000 -0.017 0.000 0.833 380 D CB -0.519 40.239 40.800 -0.069 0.000 0.961 380 D HN 0.260 nan 8.370 nan 0.000 0.470 381 N N 0.193 118.830 118.700 -0.105 0.000 2.205 381 N HA -0.131 4.610 4.740 0.002 0.000 0.186 381 N C 1.677 177.162 175.510 -0.043 0.000 1.015 381 N CA 1.025 54.000 53.050 -0.125 0.000 0.862 381 N CB -0.096 38.219 38.487 -0.286 0.000 0.986 381 N HN 0.139 nan 8.380 nan 0.000 0.429 382 M N -0.885 118.717 119.600 0.004 0.000 2.254 382 M HA -0.016 4.465 4.480 0.002 0.000 0.265 382 M C 1.251 177.579 176.300 0.047 0.000 1.066 382 M CA 1.018 56.347 55.300 0.049 0.000 1.123 382 M CB 0.076 32.736 32.600 0.100 0.000 1.388 382 M HN 0.176 nan 8.290 nan 0.000 0.425 383 S N -0.892 114.832 115.700 0.041 0.000 2.556 383 S HA 0.273 4.744 4.470 0.002 0.000 0.216 383 S C 1.148 175.756 174.600 0.014 0.000 0.970 383 S CA 0.001 58.220 58.200 0.032 0.000 0.912 383 S CB 0.246 63.465 63.200 0.033 0.000 0.790 383 S HN 0.498 nan 8.310 nan 0.000 0.504 384 G N 1.488 110.289 108.800 0.001 0.000 2.887 384 G HA2 0.560 4.521 3.960 0.002 0.000 0.210 384 G HA3 0.560 4.521 3.960 0.002 0.000 0.210 384 G C 1.226 176.121 174.900 -0.009 0.000 1.964 384 G CA 0.065 45.160 45.100 -0.008 0.000 0.738 384 G HN 0.346 nan 8.290 nan 0.000 0.790 385 A N -0.254 122.553 122.820 -0.021 0.000 1.969 385 A HA 0.149 4.470 4.320 0.002 0.000 0.218 385 A C 1.343 178.925 177.584 -0.002 0.000 1.169 385 A CA 1.849 53.878 52.037 -0.014 0.000 0.635 385 A CB -0.605 18.380 19.000 -0.025 0.000 0.810 385 A HN 0.592 nan 8.150 nan 0.000 0.445 386 K N -0.942 119.455 120.400 -0.006 0.000 3.096 386 K HA -0.190 4.131 4.320 0.002 0.000 0.266 386 K C -0.059 176.565 176.600 0.038 0.000 1.043 386 K CA 0.972 57.270 56.287 0.019 0.000 0.758 386 K CB -1.514 31.003 32.500 0.028 0.000 1.260 386 K HN 0.709 nan 8.250 nan 0.000 0.481 387 K N 1.492 121.907 120.400 0.026 0.000 2.448 387 K HA 0.017 4.338 4.320 0.002 0.000 0.278 387 K C 0.121 176.829 176.600 0.179 0.000 1.009 387 K CA 0.019 56.352 56.287 0.076 0.000 0.995 387 K CB 0.460 32.982 32.500 0.036 0.000 0.917 387 K HN 0.125 nan 8.250 nan 0.000 0.481 388 N N 1.648 120.429 118.700 0.135 0.000 2.443 388 N HA 0.185 4.926 4.740 0.002 0.000 0.293 388 N C -1.251 174.280 175.510 0.034 0.000 1.159 388 N CA -0.183 52.889 53.050 0.036 0.000 0.904 388 N CB 0.529 39.001 38.487 -0.024 0.000 1.214 388 N HN 0.706 nan 8.380 nan 0.000 0.513 389 H N -0.745 118.227 119.070 -0.163 0.000 2.692 389 H HA -0.201 4.356 4.556 0.002 0.000 0.316 389 H C -0.674 174.583 175.328 -0.118 0.000 1.176 389 H CA 1.124 57.032 56.048 -0.234 0.000 1.142 389 H CB -1.919 27.746 29.762 -0.163 0.000 1.475 389 H HN 0.377 nan 8.280 nan 0.000 0.423 390 F N -1.147 118.788 119.950 -0.025 0.000 2.411 390 F HA 0.723 5.251 4.527 0.002 0.000 0.324 390 F C 0.589 176.394 175.800 0.008 0.000 1.086 390 F CA -0.538 57.460 58.000 -0.002 0.000 1.028 390 F CB 0.943 39.934 39.000 -0.014 0.000 1.284 390 F HN 0.048 nan 8.300 nan 0.000 0.501 391 T N -0.547 114.227 114.554 0.365 0.000 2.912 391 T HA 0.781 5.132 4.350 0.002 0.000 0.288 391 T C -0.941 173.983 174.700 0.374 0.000 1.030 391 T CA -0.752 61.505 62.100 0.262 0.000 1.020 391 T CB 1.480 70.427 68.868 0.132 0.000 1.056 391 T HN 0.911 nan 8.240 nan 0.000 0.480 392 V N -0.675 119.436 119.914 0.327 0.000 2.686 392 V HA 0.855 4.976 4.120 0.002 0.000 0.306 392 V C 0.963 177.193 176.094 0.226 0.000 1.065 392 V CA -0.333 62.129 62.300 0.270 0.000 0.894 392 V CB 0.632 32.654 31.823 0.333 0.000 1.004 392 V HN 1.572 nan 8.190 nan 0.000 0.424 393 G N 3.350 112.235 108.800 0.142 0.000 2.184 393 G HA2 -0.126 3.835 3.960 0.002 0.000 0.206 393 G HA3 -0.126 3.835 3.960 0.002 0.000 0.206 393 G C -0.211 174.737 174.900 0.080 0.000 0.995 393 G CA 0.172 45.343 45.100 0.118 0.000 0.651 393 G HN 1.461 nan 8.290 nan 0.000 0.511 394 I N -3.024 117.592 120.570 0.078 0.000 3.239 394 I HA 0.853 5.024 4.170 0.002 0.000 0.314 394 I C -0.559 175.592 176.117 0.057 0.000 1.126 394 I CA -1.493 59.846 61.300 0.065 0.000 0.973 394 I CB 2.195 40.234 38.000 0.064 0.000 1.252 394 I HN -0.019 nan 8.210 nan 0.000 0.463 395 E N 2.185 122.420 120.200 0.057 0.000 2.101 395 E HA 0.152 4.503 4.350 0.002 0.000 0.260 395 E C -1.417 175.214 176.600 0.051 0.000 0.897 395 E CA -0.488 55.938 56.400 0.045 0.000 0.744 395 E CB 0.924 30.643 29.700 0.033 0.000 1.140 395 E HN 0.625 nan 8.360 nan 0.000 0.419 396 D N 4.366 124.795 120.400 0.048 0.000 2.494 396 D HA -0.005 4.636 4.640 0.002 0.000 0.217 396 D C 0.170 176.490 176.300 0.033 0.000 1.153 396 D CA -0.398 53.630 54.000 0.047 0.000 0.954 396 D CB 0.589 41.419 40.800 0.049 0.000 1.034 396 D HN 0.439 nan 8.370 nan 0.000 0.518 397 D N 1.983 122.400 120.400 0.029 0.000 2.328 397 D HA -0.104 4.537 4.640 0.002 0.000 0.221 397 D C 1.462 177.771 176.300 0.014 0.000 1.072 397 D CA -0.032 53.978 54.000 0.016 0.000 0.850 397 D CB 0.144 40.948 40.800 0.006 0.000 0.922 397 D HN 0.294 nan 8.370 nan 0.000 0.516 398 V N 0.055 119.982 119.914 0.021 0.000 2.788 398 V HA 0.077 4.198 4.120 0.002 0.000 0.241 398 V C 1.671 177.774 176.094 0.015 0.000 1.083 398 V CA 1.774 64.084 62.300 0.017 0.000 1.103 398 V CB -0.012 31.822 31.823 0.018 0.000 0.800 398 V HN 0.281 nan 8.190 nan 0.000 0.476 399 T N -2.849 111.716 114.554 0.019 0.000 3.044 399 T HA 0.398 4.749 4.350 0.002 0.000 0.260 399 T C 1.532 176.246 174.700 0.022 0.000 1.019 399 T CA 0.646 62.756 62.100 0.017 0.000 0.921 399 T CB 0.260 69.135 68.868 0.013 0.000 1.053 399 T HN 1.666 nan 8.240 nan 0.000 0.533 400 G N 2.166 110.982 108.800 0.026 0.000 2.246 400 G HA2 -0.297 3.664 3.960 0.002 0.000 0.273 400 G HA3 -0.297 3.664 3.960 0.002 0.000 0.273 400 G C 0.710 175.636 174.900 0.043 0.000 1.055 400 G CA 0.742 45.859 45.100 0.029 0.000 0.851 400 G HN 0.945 nan 8.290 nan 0.000 0.500 401 T N -2.409 112.179 114.554 0.056 0.000 3.060 401 T HA 0.472 4.823 4.350 0.002 0.000 0.249 401 T C 1.377 176.150 174.700 0.122 0.000 1.079 401 T CA 0.941 63.094 62.100 0.089 0.000 1.013 401 T CB 0.227 69.146 68.868 0.085 0.000 0.975 401 T HN 1.385 nan 8.240 nan 0.000 0.518 402 S N 1.911 117.663 115.700 0.085 0.000 2.584 402 S HA 0.630 5.101 4.470 0.002 0.000 0.273 402 S C -0.224 174.392 174.600 0.027 0.000 1.311 402 S CA -1.006 57.245 58.200 0.085 0.000 1.034 402 S CB 0.706 63.943 63.200 0.061 0.000 0.939 402 S HN 0.098 nan 8.310 nan 0.000 0.513 403 L N 2.816 124.029 121.223 -0.017 0.000 2.418 403 L HA 0.522 4.863 4.340 0.002 0.000 0.265 403 L C -1.887 174.936 176.870 -0.079 0.000 1.143 403 L CA -2.045 52.719 54.840 -0.126 0.000 0.809 403 L CB -0.260 41.622 42.059 -0.296 0.000 1.124 403 L HN 0.590 nan 8.230 nan 0.000 0.456 404 P HA 0.243 nan 4.420 nan 0.000 0.275 404 P C -1.167 176.084 177.300 -0.081 0.000 1.228 404 P CA -0.233 62.829 63.100 -0.064 0.000 0.786 404 P CB 1.123 32.788 31.700 -0.059 0.000 0.927 405 V N 2.543 122.419 119.914 -0.063 0.000 2.531 405 V HA 0.215 4.336 4.120 0.002 0.000 0.301 405 V C -0.205 175.856 176.094 -0.054 0.000 1.034 405 V CA -0.492 61.761 62.300 -0.078 0.000 0.865 405 V CB 1.882 33.663 31.823 -0.070 0.000 0.995 405 V HN 0.521 nan 8.190 nan 0.000 0.424 406 D N 3.578 123.942 120.400 -0.060 0.000 2.396 406 D HA 0.213 4.854 4.640 0.002 0.000 0.225 406 D C 0.732 177.042 176.300 0.016 0.000 1.121 406 D CA -0.153 53.837 54.000 -0.017 0.000 0.853 406 D CB 0.989 41.786 40.800 -0.005 0.000 1.043 406 D HN 0.433 nan 8.370 nan 0.000 0.500 407 N N 2.478 121.187 118.700 0.016 0.000 2.521 407 N HA -0.042 4.699 4.740 0.002 0.000 0.188 407 N C 1.106 176.645 175.510 0.047 0.000 1.146 407 N CA 0.156 53.223 53.050 0.029 0.000 0.893 407 N CB 0.341 38.834 38.487 0.010 0.000 0.975 407 N HN 0.464 nan 8.380 nan 0.000 0.451 408 A N 0.292 123.144 122.820 0.054 0.000 2.235 408 A HA 0.032 4.353 4.320 0.002 0.000 0.208 408 A C 0.607 178.235 177.584 0.074 0.000 1.172 408 A CA -0.472 51.593 52.037 0.046 0.000 0.786 408 A CB -0.739 18.282 19.000 0.035 0.000 0.804 408 A HN 0.291 nan 8.150 nan 0.000 0.479 409 F N 1.161 121.078 119.950 -0.055 0.000 2.629 409 F HA 0.294 4.822 4.527 0.002 0.000 0.377 409 F C 1.007 176.757 175.800 -0.083 0.000 1.101 409 F CA -0.346 57.612 58.000 -0.070 0.000 1.301 409 F CB 0.447 39.386 39.000 -0.103 0.000 1.062 409 F HN 0.326 nan 8.300 nan 0.000 0.583 410 A N 5.083 127.420 122.820 -0.805 0.000 2.475 410 A HA -0.017 4.304 4.320 0.002 0.000 0.239 410 A C 0.003 177.174 177.584 -0.689 0.000 1.087 410 A CA -0.236 51.427 52.037 -0.623 0.000 0.779 410 A CB -0.001 18.709 19.000 -0.484 0.000 1.036 410 A HN 0.816 nan 8.150 nan 0.000 0.506 411 D N 0.263 120.450 120.400 -0.356 0.000 2.383 411 D HA 0.120 4.761 4.640 0.002 0.000 0.252 411 D C 1.081 177.200 176.300 -0.301 0.000 1.166 411 D CA 0.906 54.768 54.000 -0.229 0.000 0.879 411 D CB 0.710 41.464 40.800 -0.078 0.000 1.164 411 D HN 0.527 nan 8.370 nan 0.000 0.462 412 T N -0.620 113.774 114.554 -0.267 0.000 3.105 412 T HA 0.069 4.420 4.350 0.002 0.000 0.253 412 T C 0.983 175.684 174.700 0.003 0.000 1.047 412 T CA -0.432 61.530 62.100 -0.230 0.000 0.944 412 T CB -0.233 68.484 68.868 -0.252 0.000 1.016 412 T HN 0.411 nan 8.240 nan 0.000 0.544 413 T N 1.441 116.022 114.554 0.045 0.000 2.900 413 T HA 0.377 4.728 4.350 0.002 0.000 0.307 413 T C -2.652 172.083 174.700 0.059 0.000 1.065 413 T CA -1.378 60.763 62.100 0.068 0.000 1.105 413 T CB 0.010 68.915 68.868 0.062 0.000 0.979 413 T HN 0.003 nan 8.240 nan 0.000 0.544 414 P HA 0.108 nan 4.420 nan 0.000 0.267 414 P C 0.068 177.402 177.300 0.055 0.000 1.200 414 P CA -0.345 62.784 63.100 0.049 0.000 0.772 414 P CB 0.352 32.068 31.700 0.027 0.000 0.855 415 K N 1.835 122.268 120.400 0.055 0.000 2.524 415 K HA 0.110 4.431 4.320 0.002 0.000 0.279 415 K C 1.436 178.074 176.600 0.064 0.000 0.993 415 K CA 1.443 57.763 56.287 0.055 0.000 1.030 415 K CB -0.605 31.924 32.500 0.047 0.000 0.891 415 K HN 0.906 nan 8.250 nan 0.000 0.488 416 G N 2.325 111.166 108.800 0.068 0.000 2.141 416 G HA2 -0.240 3.721 3.960 0.002 0.000 0.242 416 G HA3 -0.240 3.721 3.960 0.002 0.000 0.242 416 G C 0.105 175.065 174.900 0.099 0.000 0.982 416 G CA 0.311 45.459 45.100 0.080 0.000 0.662 416 G HN 0.536 nan 8.290 nan 0.000 0.527 417 T N 1.976 116.587 114.554 0.095 0.000 2.806 417 T HA 0.591 4.942 4.350 0.002 0.000 0.290 417 T C 0.396 175.173 174.700 0.128 0.000 0.966 417 T CA -0.266 61.901 62.100 0.112 0.000 1.060 417 T CB 1.519 70.434 68.868 0.080 0.000 0.927 417 T HN 0.179 nan 8.240 nan 0.000 0.485 418 I N 3.734 124.411 120.570 0.178 0.000 2.331 418 I HA 0.285 4.456 4.170 0.002 0.000 0.292 418 I C 0.485 176.734 176.117 0.220 0.000 0.998 418 I CA -0.769 60.652 61.300 0.202 0.000 1.267 418 I CB 0.903 39.046 38.000 0.238 0.000 1.386 418 I HN 0.598 nan 8.210 nan 0.000 0.476 419 Q N 4.963 124.873 119.800 0.184 0.000 2.316 419 Q HA 0.605 4.946 4.340 0.002 0.000 0.264 419 Q C -1.270 174.852 176.000 0.204 0.000 0.987 419 Q CA -0.513 55.386 55.803 0.159 0.000 0.852 419 Q CB 2.497 31.300 28.738 0.109 0.000 1.287 419 Q HN 0.611 nan 8.270 nan 0.000 0.448 420 C N 1.868 121.295 119.300 0.212 0.000 2.626 420 C HA 0.517 4.978 4.460 0.002 0.000 0.310 420 C C -0.426 174.603 174.990 0.064 0.000 1.191 420 C CA -0.726 58.415 59.018 0.204 0.000 1.517 420 C CB 1.746 29.700 27.740 0.356 0.000 2.102 420 C HN 0.812 nan 8.230 nan 0.000 0.479 421 Q N 0.751 120.485 119.800 -0.110 0.000 2.375 421 Q HA 0.736 5.077 4.340 0.002 0.000 0.271 421 Q C -1.741 174.106 176.000 -0.255 0.000 1.074 421 Q CA -0.308 55.403 55.803 -0.154 0.000 0.808 421 Q CB 2.256 30.941 28.738 -0.087 0.000 1.327 421 Q HN 0.640 nan 8.270 nan 0.000 0.441 422 F N 0.750 120.665 119.950 -0.059 0.000 2.562 422 F HA 0.397 4.925 4.527 0.002 0.000 0.319 422 F C -1.229 174.513 175.800 -0.097 0.000 1.154 422 F CA -0.718 57.254 58.000 -0.047 0.000 0.931 422 F CB 1.064 40.005 39.000 -0.099 0.000 1.198 422 F HN 0.430 nan 8.300 nan 0.000 0.444 423 W N 2.712 123.999 121.300 -0.022 0.000 2.308 423 W HA 0.654 5.315 4.660 0.001 0.000 0.311 423 W C 0.394 177.017 176.519 0.174 0.000 1.088 423 W CA -0.854 56.541 57.345 0.084 0.000 1.309 423 W CB 1.477 31.050 29.460 0.188 0.000 1.229 423 W HN 0.635 nan 8.180 nan 0.000 0.427 424 G N 2.283 111.285 108.800 0.337 0.000 2.600 424 G HA2 0.674 4.635 3.960 0.002 0.000 0.303 424 G HA3 0.674 4.635 3.960 0.002 0.000 0.303 424 G C -2.012 173.112 174.900 0.373 0.000 1.253 424 G CA -1.026 44.268 45.100 0.323 0.000 0.974 424 G HN 0.335 nan 8.290 nan 0.000 0.483 425 L N 0.795 122.173 121.223 0.258 0.000 2.309 425 L HA 0.735 5.076 4.340 0.002 0.000 0.282 425 L C 0.884 177.859 176.870 0.175 0.000 1.036 425 L CA -0.354 54.624 54.840 0.230 0.000 0.806 425 L CB 1.255 43.385 42.059 0.118 0.000 1.220 425 L HN 0.708 nan 8.230 nan 0.000 0.429 426 G N 3.517 112.421 108.800 0.174 0.000 2.414 426 G HA2 0.410 4.371 3.960 0.002 0.000 0.236 426 G HA3 0.410 4.371 3.960 0.002 0.000 0.236 426 G C 0.721 175.687 174.900 0.109 0.000 1.293 426 G CA 0.257 45.445 45.100 0.147 0.000 0.869 426 G HN 1.917 nan 8.290 nan 0.000 0.556 427 A N 1.387 124.263 122.820 0.092 0.000 3.172 427 A HA -0.205 4.116 4.320 0.002 0.000 0.263 427 A C 1.537 179.156 177.584 0.059 0.000 1.215 427 A CA 1.788 53.864 52.037 0.064 0.000 1.065 427 A CB -1.889 17.143 19.000 0.054 0.000 1.148 427 A HN 1.218 nan 8.150 nan 0.000 0.904 428 D N -1.120 119.326 120.400 0.076 0.000 2.340 428 D HA 0.364 5.005 4.640 0.002 0.000 0.220 428 D C 1.517 177.857 176.300 0.066 0.000 1.039 428 D CA 1.207 55.248 54.000 0.070 0.000 0.866 428 D CB -0.616 40.239 40.800 0.091 0.000 0.913 428 D HN 1.890 nan 8.370 nan 0.000 0.523 429 G N -0.594 108.242 108.800 0.060 0.000 2.176 429 G HA2 -0.360 3.601 3.960 0.002 0.000 0.253 429 G HA3 -0.360 3.601 3.960 0.002 0.000 0.253 429 G C 1.184 176.112 174.900 0.047 0.000 0.979 429 G CA 0.707 45.833 45.100 0.042 0.000 0.641 429 G HN 0.368 nan 8.290 nan 0.000 0.530 430 T N 0.522 115.133 114.554 0.095 0.000 2.674 430 T HA -0.104 4.247 4.350 0.002 0.000 0.265 430 T C 2.553 177.242 174.700 -0.018 0.000 1.039 430 T CA 1.916 64.091 62.100 0.125 0.000 1.150 430 T CB -0.271 68.748 68.868 0.251 0.000 0.864 430 T HN 0.320 nan 8.240 nan 0.000 0.427 431 V N 1.428 121.302 119.914 -0.066 0.000 2.287 431 V HA -0.147 3.974 4.120 0.002 0.000 0.248 431 V C 2.877 178.828 176.094 -0.239 0.000 1.053 431 V CA 2.094 64.250 62.300 -0.240 0.000 1.027 431 V CB -1.378 30.233 31.823 -0.354 0.000 0.646 431 V HN 0.623 nan 8.190 nan 0.000 0.447 432 G N -0.735 107.982 108.800 -0.138 0.000 2.422 432 G HA2 -0.177 3.784 3.960 0.002 0.000 0.218 432 G HA3 -0.177 3.784 3.960 0.002 0.000 0.218 432 G C 1.738 176.598 174.900 -0.066 0.000 1.146 432 G CA 1.031 46.068 45.100 -0.105 0.000 0.769 432 G HN 0.620 nan 8.290 nan 0.000 0.547 433 A N 1.318 124.113 122.820 -0.042 0.000 1.898 433 A HA -0.056 4.265 4.320 0.002 0.000 0.216 433 A C 2.283 179.833 177.584 -0.058 0.000 1.181 433 A CA 1.763 53.796 52.037 -0.007 0.000 0.620 433 A CB -0.429 18.587 19.000 0.026 0.000 0.819 433 A HN 0.324 nan 8.150 nan 0.000 0.442 434 N N 0.286 118.888 118.700 -0.164 0.000 2.104 434 N HA -0.154 4.587 4.740 0.002 0.000 0.190 434 N C 1.595 177.086 175.510 -0.032 0.000 1.024 434 N CA 1.628 54.541 53.050 -0.229 0.000 0.853 434 N CB -0.327 38.057 38.487 -0.172 0.000 1.008 434 N HN 0.577 nan 8.380 nan 0.000 0.424 435 K N 0.389 120.781 120.400 -0.013 0.000 2.057 435 K HA -0.030 4.291 4.320 0.002 0.000 0.206 435 K C 1.975 178.604 176.600 0.049 0.000 1.050 435 K CA 0.705 57.013 56.287 0.034 0.000 0.935 435 K CB 0.012 32.478 32.500 -0.057 0.000 0.715 435 K HN 0.088 nan 8.250 nan 0.000 0.439 436 Q N 0.419 120.239 119.800 0.032 0.000 2.096 436 Q HA -0.115 4.226 4.340 0.002 0.000 0.204 436 Q C 2.139 178.228 176.000 0.147 0.000 0.982 436 Q CA 1.767 57.609 55.803 0.065 0.000 0.850 436 Q CB -0.359 28.410 28.738 0.052 0.000 0.901 436 Q HN 0.323 nan 8.270 nan 0.000 0.422 437 A N 0.521 123.443 122.820 0.170 0.000 1.902 437 A HA -0.169 4.152 4.320 0.002 0.000 0.217 437 A C 2.208 179.940 177.584 0.247 0.000 1.181 437 A CA 1.321 53.511 52.037 0.254 0.000 0.623 437 A CB -0.724 18.268 19.000 -0.013 0.000 0.818 437 A HN 0.354 nan 8.150 nan 0.000 0.443 438 I N -0.923 119.783 120.570 0.227 0.000 2.208 438 I HA -0.277 3.894 4.170 0.002 0.000 0.245 438 I C 2.537 178.786 176.117 0.220 0.000 1.097 438 I CA 1.774 63.251 61.300 0.294 0.000 1.363 438 I CB -0.182 37.918 38.000 0.166 0.000 1.051 438 I HN 0.230 nan 8.210 nan 0.000 0.413 439 K N 0.855 121.346 120.400 0.151 0.000 2.001 439 K HA -0.090 4.231 4.320 0.002 0.000 0.208 439 K C 1.970 178.636 176.600 0.111 0.000 1.048 439 K CA 1.431 57.781 56.287 0.104 0.000 0.932 439 K CB -0.170 32.370 32.500 0.066 0.000 0.715 439 K HN 0.196 nan 8.250 nan 0.000 0.437 440 I N 0.550 121.207 120.570 0.146 0.000 2.127 440 I HA -0.317 3.854 4.170 0.002 0.000 0.241 440 I C 2.105 178.309 176.117 0.144 0.000 1.075 440 I CA 1.406 62.793 61.300 0.146 0.000 1.334 440 I CB -0.316 37.819 38.000 0.226 0.000 1.040 440 I HN 0.146 nan 8.210 nan 0.000 0.405 441 I N 0.656 121.336 120.570 0.183 0.000 2.179 441 I HA -0.211 3.960 4.170 0.002 0.000 0.242 441 I C 2.682 178.866 176.117 0.111 0.000 1.088 441 I CA 1.683 63.055 61.300 0.120 0.000 1.357 441 I CB -0.918 37.101 38.000 0.032 0.000 1.051 441 I HN 0.277 nan 8.210 nan 0.000 0.409 442 G N 0.266 109.152 108.800 0.144 0.000 2.422 442 G HA2 -0.222 3.739 3.960 0.002 0.000 0.218 442 G HA3 -0.222 3.739 3.960 0.002 0.000 0.218 442 G C 1.155 176.072 174.900 0.028 0.000 1.146 442 G CA 0.839 45.990 45.100 0.085 0.000 0.769 442 G HN 0.294 nan 8.290 nan 0.000 0.547 443 D N 0.107 120.528 120.400 0.035 0.000 2.347 443 D HA 0.020 4.661 4.640 0.002 0.000 0.215 443 D C 1.441 177.743 176.300 0.003 0.000 0.976 443 D CA 0.420 54.426 54.000 0.009 0.000 0.884 443 D CB 0.116 40.924 40.800 0.013 0.000 0.915 443 D HN 0.285 nan 8.370 nan 0.000 0.526 444 N N -0.368 118.340 118.700 0.013 0.000 2.160 444 N HA 0.024 4.765 4.740 0.002 0.000 0.226 444 N C 0.102 175.609 175.510 -0.004 0.000 1.256 444 N CA 0.188 53.240 53.050 0.003 0.000 0.890 444 N CB 1.798 40.294 38.487 0.015 0.000 1.116 444 N HN 0.178 nan 8.380 nan 0.000 0.517 445 T N -3.019 111.529 114.554 -0.009 0.000 2.838 445 T HA 0.352 4.703 4.350 0.002 0.000 0.292 445 T C -0.382 174.287 174.700 -0.052 0.000 1.113 445 T CA -0.506 61.582 62.100 -0.020 0.000 1.008 445 T CB 2.197 71.061 68.868 -0.006 0.000 1.259 445 T HN -0.326 nan 8.240 nan 0.000 0.520 446 D N 0.404 120.765 120.400 -0.064 0.000 2.342 446 D HA 0.298 4.939 4.640 0.002 0.000 0.221 446 D C 0.444 176.626 176.300 -0.197 0.000 1.101 446 D CA -0.018 53.905 54.000 -0.128 0.000 0.837 446 D CB -0.100 40.647 40.800 -0.088 0.000 0.938 446 D HN 0.431 nan 8.370 nan 0.000 0.508 447 L N 0.292 121.457 121.223 -0.097 0.000 2.452 447 L HA 0.172 4.513 4.340 0.002 0.000 0.267 447 L C 0.462 177.260 176.870 -0.121 0.000 1.188 447 L CA -0.250 54.578 54.840 -0.019 0.000 0.821 447 L CB 0.383 42.523 42.059 0.135 0.000 1.102 447 L HN -0.176 nan 8.230 nan 0.000 0.470 448 F N 1.009 121.023 119.950 0.107 0.000 2.371 448 F HA 0.582 5.110 4.527 0.002 0.000 0.329 448 F C 0.492 176.338 175.800 0.077 0.000 1.107 448 F CA -0.190 57.853 58.000 0.072 0.000 1.137 448 F CB 1.402 40.426 39.000 0.041 0.000 1.214 448 F HN 0.446 nan 8.300 nan 0.000 0.536 449 A N 2.899 125.826 122.820 0.179 0.000 2.488 449 A HA 0.607 4.928 4.320 0.002 0.000 0.298 449 A C -1.426 176.097 177.584 -0.101 0.000 1.044 449 A CA -0.618 51.389 52.037 -0.051 0.000 0.693 449 A CB 1.874 20.920 19.000 0.076 0.000 1.272 449 A HN 0.686 nan 8.150 nan 0.000 0.402 450 Q N 1.344 120.983 119.800 -0.268 0.000 2.359 450 Q HA 0.661 5.002 4.340 0.002 0.000 0.274 450 Q C -0.757 175.112 176.000 -0.218 0.000 1.074 450 Q CA -0.610 55.095 55.803 -0.164 0.000 0.810 450 Q CB 2.379 31.038 28.738 -0.131 0.000 1.342 450 Q HN 1.241 nan 8.270 nan 0.000 0.427 451 G N 1.870 110.596 108.800 -0.123 0.000 2.638 451 G HA2 0.551 4.512 3.960 0.002 0.000 0.302 451 G HA3 0.551 4.512 3.960 0.002 0.000 0.302 451 G C -2.441 172.311 174.900 -0.247 0.000 1.365 451 G CA -0.307 44.650 45.100 -0.238 0.000 0.987 451 G HN 0.515 nan 8.290 nan 0.000 0.495 452 Y N 1.074 120.966 120.300 -0.681 0.000 2.504 452 Y HA 0.726 5.277 4.550 0.002 0.000 0.344 452 Y C -1.808 173.618 175.900 -0.790 0.000 1.023 452 Y CA -1.493 56.326 58.100 -0.469 0.000 1.020 452 Y CB 1.992 40.330 38.460 -0.203 0.000 1.282 452 Y HN 0.458 nan 8.280 nan 0.000 0.454 453 F N 3.345 123.040 119.950 -0.425 0.000 2.507 453 F HA 0.472 5.001 4.527 0.002 0.000 0.328 453 F C -0.039 175.511 175.800 -0.417 0.000 1.136 453 F CA -0.813 56.995 58.000 -0.321 0.000 0.930 453 F CB 2.182 41.007 39.000 -0.292 0.000 1.166 453 F HN 0.370 nan 8.300 nan 0.000 0.436 454 S N 3.313 118.918 115.700 -0.157 0.000 2.442 454 S HA 0.647 5.118 4.470 0.002 0.000 0.297 454 S C -1.109 173.347 174.600 -0.241 0.000 1.131 454 S CA -0.257 57.883 58.200 -0.100 0.000 1.092 454 S CB 0.297 63.485 63.200 -0.020 0.000 0.998 454 S HN 0.458 nan 8.310 nan 0.000 0.478 455 Y N 1.613 121.909 120.300 -0.006 0.000 2.621 455 Y HA 0.442 4.993 4.550 0.002 0.000 0.334 455 Y C 0.645 176.539 175.900 -0.010 0.000 1.074 455 Y CA -0.984 57.120 58.100 0.006 0.000 1.149 455 Y CB 0.818 39.300 38.460 0.036 0.000 1.302 455 Y HN 0.517 nan 8.280 nan 0.000 0.501 456 D N -0.618 119.890 120.400 0.180 0.000 2.358 456 D HA 0.140 4.781 4.640 0.002 0.000 0.244 456 D C 0.488 176.868 176.300 0.133 0.000 1.163 456 D CA 0.224 54.297 54.000 0.122 0.000 0.945 456 D CB 1.521 42.396 40.800 0.124 0.000 1.152 456 D HN 0.514 nan 8.370 nan 0.000 0.451 457 S N -0.002 115.764 115.700 0.110 0.000 2.496 457 S HA -0.012 4.459 4.470 0.002 0.000 0.224 457 S C 0.519 175.192 174.600 0.121 0.000 0.996 457 S CA 0.244 58.509 58.200 0.108 0.000 0.927 457 S CB 0.209 63.465 63.200 0.094 0.000 0.774 457 S HN 0.220 nan 8.310 nan 0.000 0.524 458 K N 2.294 122.773 120.400 0.130 0.000 2.401 458 K HA 0.174 4.495 4.320 0.002 0.000 0.278 458 K C 0.648 177.329 176.600 0.136 0.000 1.018 458 K CA 0.226 56.598 56.287 0.142 0.000 0.981 458 K CB 0.514 33.100 32.500 0.144 0.000 0.933 458 K HN 0.155 nan 8.250 nan 0.000 0.477 459 K N 0.206 120.689 120.400 0.139 0.000 2.314 459 K HA 0.015 4.336 4.320 0.002 0.000 0.198 459 K C 0.592 177.255 176.600 0.105 0.000 1.045 459 K CA 0.329 56.688 56.287 0.120 0.000 0.988 459 K CB 0.459 33.041 32.500 0.137 0.000 0.783 459 K HN 0.430 nan 8.250 nan 0.000 0.484 460 S N -1.100 114.663 115.700 0.105 0.000 2.547 460 S HA 0.474 4.945 4.470 0.002 0.000 0.281 460 S C -0.000 174.653 174.600 0.089 0.000 1.118 460 S CA -0.052 58.198 58.200 0.083 0.000 0.947 460 S CB 1.619 64.854 63.200 0.058 0.000 1.053 460 S HN 0.442 nan 8.310 nan 0.000 0.482 461 G N 2.717 111.574 108.800 0.095 0.000 2.221 461 G HA2 -0.148 3.813 3.960 0.002 0.000 0.265 461 G HA3 -0.148 3.813 3.960 0.002 0.000 0.265 461 G C 0.553 175.554 174.900 0.168 0.000 1.041 461 G CA 0.178 45.349 45.100 0.120 0.000 0.807 461 G HN 1.191 nan 8.290 nan 0.000 0.502 462 G N -1.120 107.780 108.800 0.167 0.000 2.562 462 G HA2 0.592 4.553 3.960 0.002 0.000 0.275 462 G HA3 0.592 4.553 3.960 0.002 0.000 0.275 462 G C 0.233 175.254 174.900 0.202 0.000 1.196 462 G CA -0.315 44.891 45.100 0.177 0.000 0.908 462 G HN 1.000 nan 8.290 nan 0.000 0.524 463 I N -0.398 120.253 120.570 0.134 0.000 2.428 463 I HA 0.523 4.694 4.170 0.002 0.000 0.296 463 I C -0.476 175.631 176.117 -0.018 0.000 0.985 463 I CA -0.389 60.955 61.300 0.073 0.000 1.260 463 I CB 1.734 39.601 38.000 -0.222 0.000 1.389 463 I HN 0.353 nan 8.210 nan 0.000 0.484 464 T N 8.105 122.639 114.554 -0.034 0.000 2.841 464 T HA 0.504 4.855 4.350 0.002 0.000 0.283 464 T C -0.663 173.878 174.700 -0.267 0.000 1.000 464 T CA -0.310 61.682 62.100 -0.180 0.000 0.977 464 T CB 1.556 70.318 68.868 -0.177 0.000 0.979 464 T HN 0.520 nan 8.240 nan 0.000 0.446 465 I N 1.606 121.960 120.570 -0.360 0.000 2.418 465 I HA 0.663 4.834 4.170 0.002 0.000 0.287 465 I C -0.553 175.414 176.117 -0.249 0.000 1.008 465 I CA -0.011 61.005 61.300 -0.474 0.000 1.104 465 I CB 1.684 39.084 38.000 -1.000 0.000 1.264 465 I HN 0.456 nan 8.210 nan 0.000 0.438 466 S N 5.205 120.811 115.700 -0.158 0.000 2.541 466 S HA 0.564 5.035 4.470 0.002 0.000 0.283 466 S C -0.943 173.544 174.600 -0.188 0.000 1.196 466 S CA -0.383 57.781 58.200 -0.059 0.000 1.062 466 S CB 0.708 63.987 63.200 0.132 0.000 1.009 466 S HN 0.694 nan 8.310 nan 0.000 0.502 467 H N 1.171 120.139 119.070 -0.171 0.000 2.800 467 H HA 0.537 5.094 4.556 0.002 0.000 0.322 467 H C -0.827 174.421 175.328 -0.133 0.000 0.979 467 H CA -0.370 55.633 56.048 -0.076 0.000 1.277 467 H CB 0.583 30.301 29.762 -0.074 0.000 1.484 467 H HN 0.312 nan 8.280 nan 0.000 0.512 468 L N 3.337 124.601 121.223 0.068 0.000 2.362 468 L HA 0.650 4.991 4.340 0.002 0.000 0.271 468 L C -0.127 176.690 176.870 -0.087 0.000 1.002 468 L CA -0.813 53.989 54.840 -0.063 0.000 0.818 468 L CB 2.255 44.323 42.059 0.014 0.000 1.298 468 L HN 0.481 nan 8.230 nan 0.000 0.420 469 R N 2.212 122.522 120.500 -0.316 0.000 2.750 469 R HA 0.739 5.080 4.340 0.002 0.000 0.281 469 R C -1.727 174.231 176.300 -0.571 0.000 0.972 469 R CA -0.698 55.259 56.100 -0.239 0.000 0.912 469 R CB 2.610 32.824 30.300 -0.143 0.000 1.187 469 R HN 0.310 nan 8.270 nan 0.000 0.464 470 F N -0.249 119.765 119.950 0.106 0.000 2.569 470 F HA 0.695 5.223 4.527 0.002 0.000 0.312 470 F C 0.451 176.321 175.800 0.117 0.000 1.109 470 F CA -0.585 57.486 58.000 0.117 0.000 0.919 470 F CB 2.856 41.923 39.000 0.112 0.000 1.211 470 F HN 0.665 nan 8.300 nan 0.000 0.446 471 G N 1.252 110.240 108.800 0.314 0.000 2.623 471 G HA2 0.419 4.380 3.960 0.002 0.000 0.290 471 G HA3 0.419 4.380 3.960 0.002 0.000 0.290 471 G C -0.517 174.571 174.900 0.313 0.000 1.437 471 G CA -0.808 44.443 45.100 0.251 0.000 0.798 471 G HN 0.599 nan 8.290 nan 0.000 0.488 472 E N -0.442 119.904 120.200 0.243 0.000 2.371 472 E HA 0.110 4.461 4.350 0.002 0.000 0.194 472 E C 0.408 177.241 176.600 0.389 0.000 1.012 472 E CA 0.399 56.959 56.400 0.266 0.000 0.860 472 E CB 0.243 30.038 29.700 0.158 0.000 0.811 472 E HN 0.063 nan 8.360 nan 0.000 0.502 473 K N 1.436 121.975 120.400 0.231 0.000 2.166 473 K HA 0.374 4.694 4.320 0.002 0.000 0.245 473 K C -2.619 173.686 176.600 -0.493 0.000 0.967 473 K CA -2.831 53.446 56.287 -0.018 0.000 0.863 473 K CB 0.730 33.211 32.500 -0.032 0.000 1.107 473 K HN -0.212 nan 8.250 nan 0.000 0.436 474 P HA 0.046 nan 4.420 nan 0.000 0.264 474 P C -0.443 176.599 177.300 -0.431 0.000 1.183 474 P CA 0.411 62.857 63.100 -1.090 0.000 0.763 474 P CB 0.224 31.500 31.700 -0.706 0.000 0.807 475 I N 3.604 124.005 120.570 -0.282 0.000 2.306 475 I HA 0.154 4.325 4.170 0.002 0.000 0.288 475 I C 1.153 177.218 176.117 -0.088 0.000 1.036 475 I CA 0.133 61.358 61.300 -0.125 0.000 1.221 475 I CB 0.663 38.618 38.000 -0.075 0.000 1.385 475 I HN 0.283 nan 8.210 nan 0.000 0.472 476 Q N 3.294 123.061 119.800 -0.055 0.000 2.204 476 Q HA 0.175 4.516 4.340 0.002 0.000 0.209 476 Q C 0.087 176.101 176.000 0.022 0.000 0.861 476 Q CA -0.118 55.684 55.803 -0.002 0.000 0.971 476 Q CB 0.513 29.267 28.738 0.026 0.000 1.095 476 Q HN 0.594 nan 8.270 nan 0.000 0.486 477 S N 1.992 117.644 115.700 -0.079 0.000 3.900 477 S HA 0.015 4.486 4.470 0.002 0.000 0.248 477 S C 0.686 175.055 174.600 -0.385 0.000 1.310 477 S CA -0.166 57.867 58.200 -0.279 0.000 0.915 477 S CB -0.272 62.613 63.200 -0.525 0.000 1.588 477 S HN 0.281 nan 8.310 nan 0.000 0.472 478 T N 1.087 115.624 114.554 -0.028 0.000 4.099 478 T HA 0.351 4.702 4.350 0.002 0.000 0.223 478 T C -0.220 174.508 174.700 0.048 0.000 0.968 478 T CA -0.548 61.548 62.100 -0.007 0.000 0.966 478 T CB -1.255 67.680 68.868 0.113 0.000 1.328 478 T HN 0.588 nan 8.240 nan 0.000 0.783 479 Y N -1.690 118.525 120.300 -0.141 0.000 2.656 479 Y HA 0.644 5.195 4.550 0.002 0.000 0.334 479 Y C -0.830 174.917 175.900 -0.256 0.000 1.179 479 Y CA -2.146 55.847 58.100 -0.178 0.000 1.050 479 Y CB 0.745 39.145 38.460 -0.101 0.000 1.308 479 Y HN 0.010 nan 8.280 nan 0.000 0.456 480 L N 1.862 122.957 121.223 -0.213 0.000 2.476 480 L HA 0.275 4.616 4.340 0.002 0.000 0.264 480 L C 0.014 176.842 176.870 -0.071 0.000 1.224 480 L CA -1.090 53.511 54.840 -0.399 0.000 0.821 480 L CB 0.431 42.209 42.059 -0.468 0.000 1.101 480 L HN 0.535 nan 8.230 nan 0.000 0.488 481 V N 1.920 121.918 119.914 0.140 0.000 2.485 481 V HA -0.060 4.061 4.120 0.002 0.000 0.287 481 V C 0.662 176.887 176.094 0.219 0.000 1.022 481 V CA 0.314 62.740 62.300 0.210 0.000 1.067 481 V CB 0.636 32.602 31.823 0.238 0.000 0.967 481 V HN 0.967 nan 8.190 nan 0.000 0.479 482 N N 3.505 122.313 118.700 0.180 0.000 2.171 482 N HA 0.109 4.850 4.740 0.002 0.000 0.212 482 N C 0.237 175.807 175.510 0.099 0.000 1.184 482 N CA -0.235 52.898 53.050 0.138 0.000 0.888 482 N CB 0.612 39.170 38.487 0.118 0.000 1.038 482 N HN 0.566 nan 8.380 nan 0.000 0.517 483 R N 0.765 121.323 120.500 0.096 0.000 2.721 483 R HA 0.554 4.895 4.340 0.002 0.000 0.272 483 R C -1.143 175.205 176.300 0.080 0.000 1.721 483 R CA -0.506 55.635 56.100 0.069 0.000 1.325 483 R CB 1.410 31.738 30.300 0.046 0.000 1.271 483 R HN 0.150 nan 8.270 nan 0.000 0.556 484 A N 1.315 124.184 122.820 0.083 0.000 2.322 484 A HA 0.241 4.562 4.320 0.002 0.000 0.269 484 A C 0.553 178.202 177.584 0.109 0.000 1.094 484 A CA -0.445 51.652 52.037 0.100 0.000 0.807 484 A CB 0.514 19.568 19.000 0.090 0.000 1.047 484 A HN 0.579 nan 8.150 nan 0.000 0.487 485 D N -1.074 119.413 120.400 0.146 0.000 2.240 485 D HA 0.031 4.672 4.640 0.002 0.000 0.206 485 D C -0.641 175.799 176.300 0.233 0.000 0.963 485 D CA 1.626 55.727 54.000 0.168 0.000 0.863 485 D CB 0.253 41.157 40.800 0.173 0.000 0.973 485 D HN 0.557 nan 8.370 nan 0.000 0.501 486 Y N 0.945 121.295 120.300 0.082 0.000 2.396 486 Y HA 0.369 4.920 4.550 0.002 0.000 0.332 486 Y C -1.551 174.349 175.900 -0.000 0.000 1.034 486 Y CA -0.712 57.430 58.100 0.070 0.000 1.057 486 Y CB 1.519 40.022 38.460 0.073 0.000 1.220 486 Y HN -0.398 nan 8.280 nan 0.000 0.440 487 V N 5.449 125.173 119.914 -0.316 0.000 2.540 487 V HA 0.895 5.016 4.120 0.002 0.000 0.302 487 V C -0.648 175.239 176.094 -0.346 0.000 1.035 487 V CA -0.477 61.689 62.300 -0.224 0.000 0.873 487 V CB 1.507 33.311 31.823 -0.032 0.000 0.992 487 V HN 0.913 nan 8.190 nan 0.000 0.428 488 A N 3.175 125.839 122.820 -0.260 0.000 2.356 488 A HA 0.660 4.981 4.320 0.002 0.000 0.310 488 A C -0.644 177.041 177.584 0.168 0.000 1.075 488 A CA -0.432 51.585 52.037 -0.033 0.000 0.746 488 A CB 1.435 20.508 19.000 0.121 0.000 1.221 488 A HN 0.973 nan 8.150 nan 0.000 0.443 489 C N 3.205 122.675 119.300 0.284 0.000 2.239 489 C HA 0.532 4.993 4.460 0.002 0.000 0.323 489 C C 0.858 176.049 174.990 0.334 0.000 1.205 489 C CA -0.336 58.871 59.018 0.315 0.000 1.584 489 C CB -1.556 26.384 27.740 0.333 0.000 2.201 489 C HN 0.995 nan 8.230 nan 0.000 0.475 490 H N 3.031 122.234 119.070 0.222 0.000 2.539 490 H HA 0.119 4.676 4.556 0.002 0.000 0.267 490 H C 0.598 175.905 175.328 -0.035 0.000 0.982 490 H CA 0.131 56.244 56.048 0.108 0.000 1.146 490 H CB 0.277 30.139 29.762 0.166 0.000 1.382 490 H HN 0.711 nan 8.280 nan 0.000 0.577 491 N N 1.047 119.722 118.700 -0.042 0.000 2.461 491 N HA 0.068 4.809 4.740 0.002 0.000 0.284 491 N C -2.115 173.232 175.510 -0.271 0.000 1.049 491 N CA -2.166 50.697 53.050 -0.313 0.000 0.889 491 N CB 1.837 39.839 38.487 -0.809 0.000 1.365 491 N HN -0.155 nan 8.380 nan 0.000 0.499 492 P HA -0.118 nan 4.420 nan 0.000 0.218 492 P C 1.031 178.369 177.300 0.064 0.000 1.149 492 P CA 0.860 63.856 63.100 -0.174 0.000 0.817 492 P CB 0.148 31.518 31.700 -0.549 0.000 0.785 493 A N -0.895 121.933 122.820 0.014 0.000 2.131 493 A HA -0.187 4.134 4.320 0.002 0.000 0.220 493 A C 2.134 179.896 177.584 0.297 0.000 1.158 493 A CA 1.028 53.156 52.037 0.152 0.000 0.665 493 A CB -1.801 17.270 19.000 0.118 0.000 0.795 493 A HN 0.264 nan 8.150 nan 0.000 0.460 494 Y N -1.660 118.762 120.300 0.202 0.000 2.373 494 Y HA -0.102 4.449 4.550 0.002 0.000 0.293 494 Y C 2.430 178.386 175.900 0.095 0.000 1.129 494 Y CA 0.244 58.481 58.100 0.228 0.000 1.226 494 Y CB -0.055 38.598 38.460 0.322 0.000 1.000 494 Y HN 0.153 nan 8.280 nan 0.000 0.549 495 V N -0.085 119.992 119.914 0.272 0.000 2.469 495 V HA -0.274 3.847 4.120 0.002 0.000 0.251 495 V C 2.240 178.370 176.094 0.060 0.000 1.064 495 V CA 2.171 64.565 62.300 0.157 0.000 1.066 495 V CB -0.853 31.141 31.823 0.285 0.000 0.667 495 V HN 0.563 nan 8.190 nan 0.000 0.461 496 G N -0.886 107.959 108.800 0.075 0.000 2.985 496 G HA2 0.068 4.029 3.960 0.002 0.000 0.209 496 G HA3 0.068 4.029 3.960 0.002 0.000 0.209 496 G C 1.216 176.074 174.900 -0.071 0.000 1.165 496 G CA 0.699 45.795 45.100 -0.006 0.000 0.776 496 G HN 0.652 nan 8.290 nan 0.000 0.541 497 I N -4.947 115.548 120.570 -0.126 0.000 4.338 497 I HA 0.457 4.628 4.170 0.002 0.000 0.315 497 I C 0.123 175.971 176.117 -0.449 0.000 1.262 497 I CA -0.502 60.597 61.300 -0.335 0.000 1.298 497 I CB 0.463 38.179 38.000 -0.475 0.000 1.257 497 I HN -0.109 nan 8.210 nan 0.000 0.444 498 Y N 1.545 121.812 120.300 -0.055 0.000 2.567 498 Y HA 0.461 5.012 4.550 0.001 0.000 0.333 498 Y C -0.203 175.568 175.900 -0.216 0.000 1.106 498 Y CA -0.908 57.133 58.100 -0.098 0.000 1.157 498 Y CB 0.885 39.296 38.460 -0.081 0.000 1.277 498 Y HN -0.143 nan 8.280 nan 0.000 0.490 499 D N 1.778 122.193 120.400 0.026 0.000 2.688 499 D HA 0.095 4.736 4.640 0.002 0.000 0.228 499 D C 0.991 177.156 176.300 -0.225 0.000 1.116 499 D CA 0.266 54.217 54.000 -0.082 0.000 1.023 499 D CB -0.134 40.667 40.800 0.002 0.000 1.100 499 D HN 0.410 nan 8.370 nan 0.000 0.487 500 I N 1.119 121.379 120.570 -0.516 0.000 2.315 500 I HA -0.234 3.937 4.170 0.002 0.000 0.251 500 I C 1.549 177.361 176.117 -0.509 0.000 1.125 500 I CA 0.729 61.503 61.300 -0.877 0.000 1.392 500 I CB -0.324 37.200 38.000 -0.793 0.000 1.065 500 I HN 0.351 nan 8.210 nan 0.000 0.424 501 L N 0.165 121.145 121.223 -0.404 0.000 2.667 501 L HA 0.213 4.554 4.340 0.002 0.000 0.232 501 L C 1.062 177.831 176.870 -0.168 0.000 1.138 501 L CA -0.122 54.510 54.840 -0.347 0.000 0.921 501 L CB -0.759 41.023 42.059 -0.461 0.000 1.180 501 L HN 0.185 nan 8.230 nan 0.000 0.487 502 E N 0.366 120.514 120.200 -0.087 0.000 2.694 502 E HA 0.143 4.494 4.350 0.002 0.000 0.250 502 E C 1.323 177.926 176.600 0.006 0.000 0.963 502 E CA 0.873 57.262 56.400 -0.019 0.000 0.949 502 E CB 0.141 29.866 29.700 0.042 0.000 0.911 502 E HN 0.462 nan 8.360 nan 0.000 0.500 503 G N 4.323 113.120 108.800 -0.005 0.000 2.189 503 G HA2 -0.342 3.619 3.960 0.002 0.000 0.267 503 G HA3 -0.342 3.619 3.960 0.002 0.000 0.267 503 G C 0.459 175.364 174.900 0.009 0.000 0.975 503 G CA 0.271 45.377 45.100 0.010 0.000 0.644 503 G HN 0.694 nan 8.290 nan 0.000 0.537 504 I N 1.192 121.754 120.570 -0.013 0.000 2.845 504 I HA 0.164 4.335 4.170 0.002 0.000 0.296 504 I C 1.017 177.142 176.117 0.014 0.000 1.216 504 I CA -0.011 61.288 61.300 -0.002 0.000 1.438 504 I CB 0.267 38.241 38.000 -0.042 0.000 1.342 504 I HN 0.149 nan 8.210 nan 0.000 0.577 505 K N 5.788 126.212 120.400 0.040 0.000 2.380 505 K HA 0.042 4.363 4.320 0.002 0.000 0.267 505 K C -0.466 176.163 176.600 0.048 0.000 0.990 505 K CA -0.499 55.815 56.287 0.045 0.000 0.946 505 K CB 0.191 32.728 32.500 0.061 0.000 0.937 505 K HN 0.521 nan 8.250 nan 0.000 0.491 506 D N 0.638 121.064 120.400 0.044 0.000 2.455 506 D HA 0.050 4.691 4.640 0.002 0.000 0.241 506 D C 1.182 177.526 176.300 0.074 0.000 1.138 506 D CA 1.171 55.202 54.000 0.052 0.000 0.877 506 D CB 0.752 41.578 40.800 0.044 0.000 1.187 506 D HN 0.770 nan 8.370 nan 0.000 0.451 507 G N 1.697 110.553 108.800 0.093 0.000 2.148 507 G HA2 -0.187 3.774 3.960 0.002 0.000 0.254 507 G HA3 -0.187 3.774 3.960 0.002 0.000 0.254 507 G C 0.766 175.749 174.900 0.137 0.000 0.981 507 G CA 0.185 45.354 45.100 0.115 0.000 0.670 507 G HN 0.804 nan 8.290 nan 0.000 0.528 508 G N -0.920 107.959 108.800 0.132 0.000 2.616 508 G HA2 0.628 4.589 3.960 0.002 0.000 0.268 508 G HA3 0.628 4.589 3.960 0.002 0.000 0.268 508 G C 0.326 175.354 174.900 0.214 0.000 1.213 508 G CA 0.787 45.980 45.100 0.155 0.000 0.926 508 G HN 1.352 nan 8.290 nan 0.000 0.523 509 T N -1.801 112.897 114.554 0.239 0.000 2.797 509 T HA 0.571 4.922 4.350 0.002 0.000 0.279 509 T C -1.328 173.506 174.700 0.224 0.000 0.991 509 T CA -0.734 61.549 62.100 0.305 0.000 0.979 509 T CB 1.111 70.210 68.868 0.384 0.000 0.943 509 T HN 0.394 nan 8.240 nan 0.000 0.444 510 F N 5.963 126.006 119.950 0.155 0.000 2.427 510 F HA 0.649 5.177 4.527 0.002 0.000 0.348 510 F C -0.910 175.031 175.800 0.236 0.000 1.125 510 F CA -1.651 56.405 58.000 0.094 0.000 0.989 510 F CB 1.350 40.430 39.000 0.134 0.000 1.165 510 F HN 0.588 nan 8.300 nan 0.000 0.442 511 V N 8.384 128.168 119.914 -0.216 0.000 2.513 511 V HA 0.768 4.889 4.120 0.002 0.000 0.299 511 V C -2.012 173.831 176.094 -0.418 0.000 1.035 511 V CA -0.630 61.521 62.300 -0.249 0.000 0.889 511 V CB 1.562 33.355 31.823 -0.050 0.000 0.988 511 V HN 0.796 nan 8.190 nan 0.000 0.440 512 L N 5.830 126.814 121.223 -0.397 0.000 2.365 512 L HA 0.566 4.907 4.340 0.002 0.000 0.273 512 L C -0.325 176.467 176.870 -0.130 0.000 1.000 512 L CA -0.213 54.478 54.840 -0.248 0.000 0.819 512 L CB 1.867 43.803 42.059 -0.205 0.000 1.284 512 L HN 0.884 nan 8.230 nan 0.000 0.418 513 N N 3.295 121.949 118.700 -0.077 0.000 2.426 513 N HA 0.564 5.305 4.740 0.002 0.000 0.257 513 N C -1.247 174.103 175.510 -0.266 0.000 1.002 513 N CA 0.144 53.120 53.050 -0.123 0.000 0.942 513 N CB 0.730 39.174 38.487 -0.072 0.000 1.112 513 N HN 0.807 nan 8.380 nan 0.000 0.499 514 S N 2.820 118.310 115.700 -0.351 0.000 2.595 514 S HA 0.401 4.872 4.470 0.002 0.000 0.270 514 S C -2.806 171.485 174.600 -0.516 0.000 1.145 514 S CA -0.831 56.961 58.200 -0.680 0.000 0.825 514 S CB 2.040 64.515 63.200 -1.208 0.000 1.107 514 S HN 0.407 nan 8.310 nan 0.000 0.461 515 P HA 0.240 nan 4.420 nan 0.000 0.255 515 P C -0.349 176.904 177.300 -0.077 0.000 1.248 515 P CA 0.156 63.081 63.100 -0.291 0.000 0.807 515 P CB -0.190 31.379 31.700 -0.219 0.000 1.150 516 W N 1.256 122.555 121.300 -0.001 0.000 1.395 516 W HA 0.247 4.908 4.660 0.002 0.000 0.451 516 W C 1.002 177.614 176.519 0.154 0.000 0.619 516 W CA -0.596 56.790 57.345 0.068 0.000 2.212 516 W CB -1.366 28.137 29.460 0.072 0.000 1.537 516 W HN 0.013 nan 8.180 nan 0.000 0.275 517 S N 0.811 116.681 115.700 0.283 0.000 2.368 517 S HA -0.120 4.351 4.470 0.002 0.000 0.224 517 S C 1.390 176.159 174.600 0.281 0.000 1.029 517 S CA 1.211 59.556 58.200 0.242 0.000 0.988 517 S CB -0.046 63.231 63.200 0.128 0.000 0.838 517 S HN 0.417 nan 8.310 nan 0.000 0.462 518 S N 1.425 117.276 115.700 0.251 0.000 2.632 518 S HA 0.336 4.807 4.470 0.002 0.000 0.267 518 S C 0.908 175.697 174.600 0.315 0.000 1.276 518 S CA -0.707 57.611 58.200 0.197 0.000 0.998 518 S CB 0.724 64.011 63.200 0.144 0.000 0.953 518 S HN 0.123 nan 8.310 nan 0.000 0.547 519 L N 0.894 122.244 121.223 0.212 0.000 2.083 519 L HA -0.024 4.317 4.340 0.002 0.000 0.209 519 L C 2.483 179.542 176.870 0.316 0.000 1.083 519 L CA 2.204 57.240 54.840 0.327 0.000 0.752 519 L CB -1.236 40.911 42.059 0.146 0.000 0.899 519 L HN 1.029 nan 8.230 nan 0.000 0.433 520 E N -0.805 119.519 120.200 0.206 0.000 2.051 520 E HA -0.262 4.089 4.350 0.002 0.000 0.192 520 E C 1.647 178.349 176.600 0.169 0.000 0.991 520 E CA 1.657 58.153 56.400 0.160 0.000 0.799 520 E CB -0.063 29.704 29.700 0.112 0.000 0.748 520 E HN 0.529 nan 8.360 nan 0.000 0.449 521 D N 0.065 120.597 120.400 0.220 0.000 2.117 521 D HA -0.154 4.487 4.640 0.002 0.000 0.198 521 D C 1.881 178.322 176.300 0.235 0.000 0.982 521 D CA 1.053 55.200 54.000 0.245 0.000 0.828 521 D CB -0.224 40.779 40.800 0.337 0.000 0.967 521 D HN 0.213 nan 8.370 nan 0.000 0.464 522 M N 0.834 120.652 119.600 0.362 0.000 2.117 522 M HA -0.122 4.359 4.480 0.002 0.000 0.262 522 M C 1.177 177.595 176.300 0.197 0.000 1.065 522 M CA 1.437 56.953 55.300 0.360 0.000 1.114 522 M CB -0.224 32.709 32.600 0.555 0.000 1.361 522 M HN -0.229 nan 8.290 nan 0.000 0.408 523 D N -0.090 120.468 120.400 0.264 0.000 2.149 523 D HA -0.185 4.456 4.640 0.002 0.000 0.198 523 D C 1.964 178.224 176.300 -0.065 0.000 0.990 523 D CA 1.197 55.286 54.000 0.148 0.000 0.839 523 D CB -0.166 40.769 40.800 0.225 0.000 0.948 523 D HN 0.419 nan 8.370 nan 0.000 0.460 524 K N -0.741 119.595 120.400 -0.107 0.000 2.057 524 K HA -0.112 4.209 4.320 0.002 0.000 0.206 524 K C 1.575 177.863 176.600 -0.520 0.000 1.050 524 K CA 1.139 57.249 56.287 -0.294 0.000 0.935 524 K CB 0.090 32.388 32.500 -0.336 0.000 0.715 524 K HN 0.214 nan 8.250 nan 0.000 0.439 525 H N -1.469 117.287 119.070 -0.522 0.000 2.639 525 H HA 0.167 4.724 4.556 0.002 0.000 0.267 525 H C -0.718 174.259 175.328 -0.586 0.000 0.958 525 H CA -0.353 55.216 56.048 -0.798 0.000 1.221 525 H CB 0.554 29.149 29.762 -1.945 0.000 1.446 525 H HN -0.020 nan 8.280 nan 0.000 0.512 526 L N 3.248 124.290 121.223 -0.302 0.000 2.313 526 L HA 0.262 4.603 4.340 0.002 0.000 0.282 526 L C -2.270 174.427 176.870 -0.288 0.000 1.092 526 L CA -2.421 52.280 54.840 -0.231 0.000 0.831 526 L CB 0.598 42.503 42.059 -0.256 0.000 1.159 526 L HN -0.061 nan 8.230 nan 0.000 0.442 527 P HA 0.089 nan 4.420 nan 0.000 0.269 527 P C 0.524 177.646 177.300 -0.297 0.000 1.215 527 P CA -0.088 62.876 63.100 -0.226 0.000 0.780 527 P CB 0.557 32.155 31.700 -0.170 0.000 0.898 528 S N 1.323 116.867 115.700 -0.261 0.000 2.400 528 S HA -0.136 4.335 4.470 0.002 0.000 0.232 528 S C 2.125 176.570 174.600 -0.259 0.000 1.025 528 S CA 1.435 59.468 58.200 -0.278 0.000 0.993 528 S CB -1.651 61.433 63.200 -0.193 0.000 0.808 528 S HN 0.558 nan 8.310 nan 0.000 0.478 529 G N 1.679 110.351 108.800 -0.214 0.000 2.408 529 G HA2 -0.001 3.960 3.960 0.002 0.000 0.217 529 G HA3 -0.001 3.960 3.960 0.002 0.000 0.217 529 G C 1.445 176.204 174.900 -0.235 0.000 1.150 529 G CA 0.890 45.875 45.100 -0.191 0.000 0.776 529 G HN 0.569 nan 8.290 nan 0.000 0.542 530 I N 0.144 120.543 120.570 -0.285 0.000 2.286 530 I HA -0.096 4.075 4.170 0.002 0.000 0.245 530 I C 2.757 178.627 176.117 -0.411 0.000 1.104 530 I CA 0.997 62.092 61.300 -0.341 0.000 1.397 530 I CB -0.245 37.562 38.000 -0.321 0.000 1.072 530 I HN 0.150 nan 8.210 nan 0.000 0.417 531 K N 0.812 120.886 120.400 -0.543 0.000 2.032 531 K HA -0.203 4.118 4.320 0.002 0.000 0.209 531 K C 2.267 178.694 176.600 -0.289 0.000 1.048 531 K CA 1.566 57.417 56.287 -0.727 0.000 0.927 531 K CB -0.176 31.606 32.500 -1.196 0.000 0.712 531 K HN 0.157 nan 8.250 nan 0.000 0.441 532 R N 0.126 120.486 120.500 -0.233 0.000 2.096 532 R HA -0.062 4.279 4.340 0.002 0.000 0.235 532 R C 2.353 178.587 176.300 -0.110 0.000 1.127 532 R CA 1.738 57.769 56.100 -0.115 0.000 0.968 532 R CB -0.454 29.784 30.300 -0.104 0.000 0.861 532 R HN 0.175 nan 8.270 nan 0.000 0.440 533 T N 0.743 115.198 114.554 -0.165 0.000 2.777 533 T HA -0.061 4.290 4.350 0.002 0.000 0.266 533 T C 1.799 176.406 174.700 -0.153 0.000 1.040 533 T CA 1.138 63.147 62.100 -0.153 0.000 1.141 533 T CB -0.134 68.614 68.868 -0.199 0.000 0.868 533 T HN 0.118 nan 8.240 nan 0.000 0.444 534 I N 1.240 121.679 120.570 -0.218 0.000 2.179 534 I HA -0.189 3.982 4.170 0.002 0.000 0.242 534 I C 2.872 178.823 176.117 -0.277 0.000 1.088 534 I CA 1.262 62.401 61.300 -0.268 0.000 1.357 534 I CB -0.394 37.375 38.000 -0.386 0.000 1.051 534 I HN 0.205 nan 8.210 nan 0.000 0.409 535 A N 0.806 123.506 122.820 -0.200 0.000 1.872 535 A HA -0.179 4.142 4.320 0.002 0.000 0.214 535 A C 2.007 179.639 177.584 0.080 0.000 1.187 535 A CA 1.954 53.993 52.037 0.003 0.000 0.614 535 A CB -0.950 18.149 19.000 0.165 0.000 0.826 535 A HN 0.445 nan 8.150 nan 0.000 0.442 536 N N -0.161 118.558 118.700 0.031 0.000 2.166 536 N HA -0.102 4.639 4.740 0.002 0.000 0.186 536 N C 1.306 176.837 175.510 0.034 0.000 1.019 536 N CA 1.305 54.374 53.050 0.032 0.000 0.856 536 N CB -0.085 38.405 38.487 0.005 0.000 0.993 536 N HN 0.424 nan 8.380 nan 0.000 0.426 537 K N 0.779 121.190 120.400 0.020 0.000 2.404 537 K HA 0.138 4.459 4.320 0.002 0.000 0.194 537 K C -0.423 176.224 176.600 0.078 0.000 1.023 537 K CA 0.115 56.422 56.287 0.034 0.000 1.094 537 K CB 0.417 32.923 32.500 0.009 0.000 0.841 537 K HN 0.086 nan 8.250 nan 0.000 0.523 538 K N 1.475 121.946 120.400 0.118 0.000 3.150 538 K HA -0.171 4.150 4.320 0.002 0.000 0.267 538 K C -0.393 176.341 176.600 0.223 0.000 1.028 538 K CA 0.282 56.687 56.287 0.197 0.000 0.753 538 K CB -1.847 30.740 32.500 0.145 0.000 1.288 538 K HN 0.233 nan 8.250 nan 0.000 0.473 539 L N 0.824 122.180 121.223 0.222 0.000 2.464 539 L HA 0.141 4.482 4.340 0.002 0.000 0.264 539 L C 0.866 177.955 176.870 0.364 0.000 1.199 539 L CA -0.182 54.806 54.840 0.247 0.000 0.818 539 L CB 0.357 42.534 42.059 0.196 0.000 1.102 539 L HN 0.091 nan 8.230 nan 0.000 0.473 540 K N 2.340 122.942 120.400 0.337 0.000 2.250 540 K HA 0.263 4.584 4.320 0.002 0.000 0.280 540 K C -0.864 175.991 176.600 0.424 0.000 1.098 540 K CA -0.238 56.242 56.287 0.321 0.000 0.916 540 K CB 0.500 33.209 32.500 0.349 0.000 1.209 540 K HN 0.206 nan 8.250 nan 0.000 0.461 541 F N 3.727 123.786 119.950 0.183 0.000 2.420 541 F HA 0.365 4.893 4.527 0.002 0.000 0.342 541 F C -1.164 174.625 175.800 -0.018 0.000 1.113 541 F CA -1.247 56.872 58.000 0.197 0.000 1.059 541 F CB 0.573 39.749 39.000 0.293 0.000 1.128 541 F HN 0.337 nan 8.300 nan 0.000 0.475 542 Y N 4.018 124.134 120.300 -0.306 0.000 2.406 542 Y HA 0.326 4.877 4.550 0.002 0.000 0.340 542 Y C -0.412 175.111 175.900 -0.628 0.000 0.975 542 Y CA -1.077 56.805 58.100 -0.363 0.000 1.056 542 Y CB 1.716 40.112 38.460 -0.105 0.000 1.210 542 Y HN 0.639 nan 8.280 nan 0.000 0.448 543 N N 2.726 121.203 118.700 -0.372 0.000 2.361 543 N HA 0.704 5.445 4.740 0.002 0.000 0.302 543 N C -1.818 173.646 175.510 -0.077 0.000 1.074 543 N CA -0.531 52.347 53.050 -0.285 0.000 0.850 543 N CB 1.317 39.679 38.487 -0.207 0.000 1.228 543 N HN 0.713 nan 8.380 nan 0.000 0.491 544 I N 1.527 122.050 120.570 -0.078 0.000 2.571 544 I HA 0.259 4.430 4.170 0.002 0.000 0.289 544 I C -1.423 174.651 176.117 -0.073 0.000 1.115 544 I CA -0.656 60.620 61.300 -0.040 0.000 1.045 544 I CB 1.621 39.612 38.000 -0.014 0.000 1.238 544 I HN 0.520 nan 8.210 nan 0.000 0.424 545 D N 6.503 126.867 120.400 -0.059 0.000 2.517 545 D HA 0.318 4.959 4.640 0.002 0.000 0.220 545 D C 1.022 177.279 176.300 -0.072 0.000 1.158 545 D CA 0.309 54.257 54.000 -0.087 0.000 0.992 545 D CB 1.265 42.025 40.800 -0.067 0.000 1.058 545 D HN 0.649 nan 8.370 nan 0.000 0.516 546 A N 2.631 125.402 122.820 -0.082 0.000 1.978 546 A HA -0.138 4.183 4.320 0.002 0.000 0.220 546 A C 2.238 179.784 177.584 -0.064 0.000 1.170 546 A CA 1.099 53.095 52.037 -0.068 0.000 0.636 546 A CB -0.259 18.692 19.000 -0.082 0.000 0.810 546 A HN 0.445 nan 8.150 nan 0.000 0.448 547 V N 0.160 120.029 119.914 -0.074 0.000 2.358 547 V HA -0.257 3.864 4.120 0.002 0.000 0.246 547 V C 2.522 178.587 176.094 -0.048 0.000 1.047 547 V CA 2.325 64.588 62.300 -0.061 0.000 1.035 547 V CB -0.611 31.170 31.823 -0.070 0.000 0.658 547 V HN 0.678 nan 8.190 nan 0.000 0.452 548 K N 0.062 120.433 120.400 -0.048 0.000 2.026 548 K HA -0.146 4.175 4.320 0.002 0.000 0.208 548 K C 2.143 178.725 176.600 -0.030 0.000 1.048 548 K CA 1.710 57.976 56.287 -0.034 0.000 0.929 548 K CB -0.234 32.248 32.500 -0.030 0.000 0.713 548 K HN 0.404 nan 8.250 nan 0.000 0.439 549 I N 1.138 121.689 120.570 -0.031 0.000 2.163 549 I HA -0.290 3.881 4.170 0.002 0.000 0.243 549 I C 2.528 178.626 176.117 -0.032 0.000 1.085 549 I CA 1.282 62.566 61.300 -0.027 0.000 1.347 549 I CB -0.413 37.572 38.000 -0.025 0.000 1.044 549 I HN 0.261 nan 8.210 nan 0.000 0.408 550 A N 0.422 123.220 122.820 -0.037 0.000 1.883 550 A HA -0.243 4.078 4.320 0.002 0.000 0.217 550 A C 2.380 179.942 177.584 -0.037 0.000 1.186 550 A CA 2.669 54.682 52.037 -0.040 0.000 0.624 550 A CB -1.215 17.761 19.000 -0.041 0.000 0.822 550 A HN 0.422 nan 8.150 nan 0.000 0.444 551 T N 0.201 114.735 114.554 -0.032 0.000 2.788 551 T HA -0.113 4.238 4.350 0.002 0.000 0.268 551 T C 1.395 176.079 174.700 -0.026 0.000 1.044 551 T CA 1.507 63.591 62.100 -0.027 0.000 1.139 551 T CB -0.395 68.459 68.868 -0.024 0.000 0.867 551 T HN 0.491 nan 8.240 nan 0.000 0.454 552 D N 1.187 121.572 120.400 -0.025 0.000 2.183 552 D HA -0.053 4.588 4.640 0.002 0.000 0.203 552 D C 2.170 178.454 176.300 -0.027 0.000 0.969 552 D CA 0.853 54.840 54.000 -0.022 0.000 0.842 552 D CB -0.349 40.440 40.800 -0.019 0.000 0.957 552 D HN 0.462 nan 8.370 nan 0.000 0.484 553 V N -3.061 116.833 119.914 -0.033 0.000 3.623 553 V HA 0.468 4.589 4.120 0.002 0.000 0.271 553 V C 1.433 177.499 176.094 -0.047 0.000 1.248 553 V CA 0.644 62.919 62.300 -0.040 0.000 1.156 553 V CB -0.137 31.657 31.823 -0.048 0.000 0.870 553 V HN 0.226 nan 8.190 nan 0.000 0.453 554 G N 0.852 109.627 108.800 -0.041 0.000 2.157 554 G HA2 -0.232 3.729 3.960 0.002 0.000 0.239 554 G HA3 -0.232 3.729 3.960 0.002 0.000 0.239 554 G C 0.307 175.178 174.900 -0.047 0.000 0.982 554 G CA 0.292 45.367 45.100 -0.042 0.000 0.650 554 G HN 0.547 nan 8.290 nan 0.000 0.527 555 L N 0.863 122.055 121.223 -0.052 0.000 2.653 555 L HA 0.415 4.756 4.340 0.002 0.000 0.232 555 L C 1.970 178.818 176.870 -0.038 0.000 1.169 555 L CA 0.411 55.218 54.840 -0.054 0.000 0.951 555 L CB -0.152 41.867 42.059 -0.066 0.000 1.181 555 L HN 0.775 nan 8.230 nan 0.000 0.460 556 G N 0.576 109.357 108.800 -0.031 0.000 2.356 556 G HA2 -0.233 3.728 3.960 0.002 0.000 0.296 556 G HA3 -0.233 3.728 3.960 0.002 0.000 0.296 556 G C 1.055 175.942 174.900 -0.022 0.000 1.022 556 G CA 0.479 45.565 45.100 -0.023 0.000 0.961 556 G HN 0.707 nan 8.290 nan 0.000 0.510 557 G N -1.618 107.165 108.800 -0.027 0.000 2.162 557 G HA2 -0.308 3.653 3.960 0.002 0.000 0.260 557 G HA3 -0.308 3.653 3.960 0.002 0.000 0.260 557 G C 0.624 175.507 174.900 -0.028 0.000 0.976 557 G CA 0.667 45.750 45.100 -0.029 0.000 0.655 557 G HN 0.905 nan 8.290 nan 0.000 0.533 558 R N 0.674 121.159 120.500 -0.025 0.000 2.351 558 R HA 0.318 4.659 4.340 0.002 0.000 0.318 558 R C 1.966 178.249 176.300 -0.027 0.000 1.055 558 R CA 0.075 56.163 56.100 -0.018 0.000 0.968 558 R CB 0.032 30.325 30.300 -0.012 0.000 0.974 558 R HN 0.687 nan 8.270 nan 0.000 0.439 559 I N 0.605 121.156 120.570 -0.032 0.000 3.251 559 I HA -0.119 4.052 4.170 0.002 0.000 0.277 559 I C 1.296 177.380 176.117 -0.055 0.000 1.268 559 I CA 0.550 61.818 61.300 -0.053 0.000 1.449 559 I CB -0.205 37.748 38.000 -0.078 0.000 1.083 559 I HN 0.409 nan 8.210 nan 0.000 0.464 560 N N 2.119 120.805 118.700 -0.024 0.000 2.060 560 N HA -0.319 4.422 4.740 0.002 0.000 0.195 560 N C 1.822 177.340 175.510 0.014 0.000 1.028 560 N CA 2.069 55.118 53.050 -0.002 0.000 0.861 560 N CB -0.581 37.926 38.487 0.033 0.000 1.029 560 N HN 0.297 nan 8.380 nan 0.000 0.428 561 M N -0.160 119.448 119.600 0.013 0.000 2.159 561 M HA 0.097 4.578 4.480 0.002 0.000 0.263 561 M C 1.484 177.796 176.300 0.020 0.000 1.063 561 M CA 1.260 56.572 55.300 0.019 0.000 1.110 561 M CB -0.228 32.359 32.600 -0.020 0.000 1.374 561 M HN 0.272 nan 8.290 nan 0.000 0.411 562 I N -0.655 119.913 120.570 -0.004 0.000 2.252 562 I HA -0.254 3.917 4.170 0.002 0.000 0.245 562 I C 1.961 178.093 176.117 0.026 0.000 1.102 562 I CA 1.069 62.370 61.300 0.002 0.000 1.385 562 I CB -0.507 37.478 38.000 -0.025 0.000 1.064 562 I HN 0.254 nan 8.210 nan 0.000 0.414 563 M N -0.484 119.100 119.600 -0.027 0.000 2.319 563 M HA -0.132 4.349 4.480 0.002 0.000 0.265 563 M C 2.265 178.686 176.300 0.202 0.000 1.068 563 M CA 1.299 56.583 55.300 -0.026 0.000 1.118 563 M CB -1.254 31.030 32.600 -0.527 0.000 1.395 563 M HN 0.245 nan 8.290 nan 0.000 0.435 564 Q N 0.564 120.479 119.800 0.192 0.000 2.084 564 Q HA -0.093 4.248 4.340 0.002 0.000 0.202 564 Q C 1.787 178.044 176.000 0.429 0.000 0.978 564 Q CA 2.309 58.315 55.803 0.337 0.000 0.844 564 Q CB -0.340 28.545 28.738 0.245 0.000 0.898 564 Q HN 0.472 nan 8.270 nan 0.000 0.426 565 T N 0.385 115.083 114.554 0.241 0.000 2.746 565 T HA -0.125 4.226 4.350 0.002 0.000 0.267 565 T C 1.753 176.577 174.700 0.207 0.000 1.039 565 T CA 1.285 63.497 62.100 0.186 0.000 1.142 565 T CB -0.659 68.260 68.868 0.084 0.000 0.866 565 T HN 0.473 nan 8.240 nan 0.000 0.444 566 A N 1.481 124.426 122.820 0.208 0.000 1.892 566 A HA -0.117 4.204 4.320 0.002 0.000 0.218 566 A C 2.013 179.733 177.584 0.227 0.000 1.188 566 A CA 1.798 53.958 52.037 0.206 0.000 0.631 566 A CB -1.076 18.075 19.000 0.253 0.000 0.822 566 A HN 0.506 nan 8.150 nan 0.000 0.447 567 F N -0.457 119.606 119.950 0.188 0.000 2.069 567 F HA -0.168 4.360 4.527 0.002 0.000 0.298 567 F C 1.929 177.616 175.800 -0.188 0.000 1.113 567 F CA 1.869 59.812 58.000 -0.095 0.000 1.214 567 F CB -0.594 38.465 39.000 0.097 0.000 0.978 567 F HN 0.194 nan 8.300 nan 0.000 0.474 568 F N 0.801 120.580 119.950 -0.286 0.000 2.186 568 F HA -0.098 4.430 4.527 0.002 0.000 0.299 568 F C 2.597 178.209 175.800 -0.313 0.000 1.090 568 F CA 1.886 59.639 58.000 -0.412 0.000 1.307 568 F CB -0.574 38.342 39.000 -0.140 0.000 1.019 568 F HN -0.051 nan 8.300 nan 0.000 0.489 569 K N -0.341 120.073 120.400 0.023 0.000 2.103 569 K HA -0.104 4.217 4.320 0.002 0.000 0.204 569 K C 1.392 177.969 176.600 -0.039 0.000 1.052 569 K CA 1.089 57.410 56.287 0.056 0.000 0.945 569 K CB 0.056 32.628 32.500 0.119 0.000 0.722 569 K HN 0.155 nan 8.250 nan 0.000 0.443 570 L N -0.285 120.855 121.223 -0.138 0.000 2.701 570 L HA 0.279 4.620 4.340 0.002 0.000 0.238 570 L C 1.679 178.467 176.870 -0.135 0.000 1.106 570 L CA 0.589 55.357 54.840 -0.119 0.000 0.898 570 L CB 0.304 42.292 42.059 -0.118 0.000 1.188 570 L HN 0.107 nan 8.230 nan 0.000 0.508 571 A N -0.518 122.016 122.820 -0.477 0.000 2.206 571 A HA 0.380 4.701 4.320 0.002 0.000 0.211 571 A C 1.741 179.188 177.584 -0.229 0.000 1.158 571 A CA 0.769 52.514 52.037 -0.487 0.000 0.761 571 A CB -0.553 17.890 19.000 -0.929 0.000 0.801 571 A HN 0.494 nan 8.150 nan 0.000 0.473 572 G N -1.059 107.604 108.800 -0.228 0.000 2.160 572 G HA2 -0.258 3.703 3.960 0.002 0.000 0.251 572 G HA3 -0.258 3.703 3.960 0.002 0.000 0.251 572 G C 1.080 175.892 174.900 -0.147 0.000 1.008 572 G CA 0.970 45.999 45.100 -0.120 0.000 0.724 572 G HN 1.582 nan 8.290 nan 0.000 0.514 573 V N -1.879 117.854 119.914 -0.301 0.000 2.878 573 V HA 0.625 4.746 4.120 0.002 0.000 0.250 573 V C 0.974 176.943 176.094 -0.208 0.000 1.075 573 V CA 1.659 63.802 62.300 -0.262 0.000 1.096 573 V CB -0.066 31.508 31.823 -0.416 0.000 0.724 573 V HN 0.489 nan 8.190 nan 0.000 0.467 574 L N 1.054 122.144 121.223 -0.222 0.000 2.371 574 L HA 0.625 4.966 4.340 0.002 0.000 0.262 574 L C -2.475 174.358 176.870 -0.061 0.000 1.006 574 L CA -2.108 52.660 54.840 -0.120 0.000 0.818 574 L CB 1.826 43.823 42.059 -0.104 0.000 1.354 574 L HN -0.038 nan 8.230 nan 0.000 0.415 575 P HA 0.020 nan 4.420 nan 0.000 0.269 575 P C 0.641 177.975 177.300 0.057 0.000 1.209 575 P CA -0.184 62.937 63.100 0.035 0.000 0.776 575 P CB 0.681 32.401 31.700 0.033 0.000 0.876 576 F N 2.600 122.536 119.950 -0.023 0.000 2.063 576 F HA -0.286 4.242 4.527 0.002 0.000 0.298 576 F C 2.026 177.821 175.800 -0.010 0.000 1.105 576 F CA 2.059 60.049 58.000 -0.017 0.000 1.215 576 F CB -0.218 38.775 39.000 -0.011 0.000 0.972 576 F HN 0.404 nan 8.300 nan 0.000 0.483 577 E N -0.159 120.000 120.200 -0.068 0.000 2.110 577 E HA -0.264 4.087 4.350 0.002 0.000 0.193 577 E C 2.141 178.620 176.600 -0.201 0.000 0.988 577 E CA 1.391 57.668 56.400 -0.205 0.000 0.804 577 E CB -0.259 29.434 29.700 -0.011 0.000 0.745 577 E HN 0.431 nan 8.360 nan 0.000 0.458 578 K N 0.771 121.105 120.400 -0.110 0.000 2.148 578 K HA -0.082 4.239 4.320 0.002 0.000 0.204 578 K C 2.083 178.627 176.600 -0.093 0.000 1.050 578 K CA 0.933 57.171 56.287 -0.083 0.000 0.942 578 K CB -0.025 32.452 32.500 -0.040 0.000 0.724 578 K HN 0.075 nan 8.250 nan 0.000 0.446 579 A N 0.542 123.298 122.820 -0.106 0.000 1.858 579 A HA -0.131 4.190 4.320 0.002 0.000 0.216 579 A C 2.198 179.681 177.584 -0.168 0.000 1.190 579 A CA 1.821 53.846 52.037 -0.020 0.000 0.617 579 A CB -0.769 18.228 19.000 -0.005 0.000 0.827 579 A HN 0.150 nan 8.150 nan 0.000 0.443 580 V N 0.545 120.248 119.914 -0.350 0.000 2.407 580 V HA -0.245 3.876 4.120 0.002 0.000 0.248 580 V C 2.301 178.238 176.094 -0.262 0.000 1.055 580 V CA 2.453 64.538 62.300 -0.359 0.000 1.049 580 V CB -0.888 30.642 31.823 -0.490 0.000 0.662 580 V HN 0.731 nan 8.190 nan 0.000 0.455 581 D N -0.207 120.063 120.400 -0.216 0.000 2.117 581 D HA -0.146 4.495 4.640 0.002 0.000 0.198 581 D C 1.872 178.092 176.300 -0.134 0.000 0.982 581 D CA 0.961 54.875 54.000 -0.143 0.000 0.828 581 D CB -0.046 40.689 40.800 -0.108 0.000 0.967 581 D HN 0.206 nan 8.370 nan 0.000 0.464 582 L N 0.564 121.702 121.223 -0.142 0.000 2.141 582 L HA 0.006 4.347 4.340 0.002 0.000 0.209 582 L C 2.268 178.957 176.870 -0.302 0.000 1.094 582 L CA 1.014 55.775 54.840 -0.132 0.000 0.763 582 L CB -0.913 41.141 42.059 -0.009 0.000 0.908 582 L HN 0.297 nan 8.230 nan 0.000 0.437 583 L N -0.884 120.030 121.223 -0.514 0.000 2.027 583 L HA -0.204 4.137 4.340 0.002 0.000 0.206 583 L C 2.550 179.242 176.870 -0.296 0.000 1.074 583 L CA 1.311 55.757 54.840 -0.657 0.000 0.745 583 L CB -0.202 41.441 42.059 -0.693 0.000 0.898 583 L HN 0.280 nan 8.230 nan 0.000 0.433 584 K N -0.005 120.282 120.400 -0.189 0.000 2.057 584 K HA -0.163 4.158 4.320 0.002 0.000 0.206 584 K C 1.958 178.582 176.600 0.040 0.000 1.050 584 K CA 1.003 57.252 56.287 -0.063 0.000 0.935 584 K CB -0.132 32.355 32.500 -0.022 0.000 0.715 584 K HN 0.363 nan 8.250 nan 0.000 0.439 585 K N 0.999 121.406 120.400 0.011 0.000 2.147 585 K HA -0.093 4.228 4.320 0.002 0.000 0.205 585 K C 2.303 178.938 176.600 0.059 0.000 1.049 585 K CA 1.606 57.927 56.287 0.057 0.000 0.936 585 K CB -0.179 32.318 32.500 -0.004 0.000 0.722 585 K HN 0.201 nan 8.250 nan 0.000 0.446 586 S N 1.179 116.877 115.700 -0.004 0.000 2.423 586 S HA -0.067 4.404 4.470 0.002 0.000 0.231 586 S C 2.023 176.640 174.600 0.028 0.000 1.014 586 S CA 0.638 58.837 58.200 -0.002 0.000 0.965 586 S CB -0.509 62.674 63.200 -0.030 0.000 0.785 586 S HN 0.202 nan 8.310 nan 0.000 0.495 587 I N 0.961 121.552 120.570 0.035 0.000 2.493 587 I HA -0.127 4.044 4.170 0.002 0.000 0.254 587 I C 2.485 178.618 176.117 0.026 0.000 1.160 587 I CA 1.418 62.770 61.300 0.088 0.000 1.445 587 I CB -0.400 37.554 38.000 -0.077 0.000 1.086 587 I HN 0.344 nan 8.210 nan 0.000 0.433 588 H N 0.125 119.227 119.070 0.055 0.000 2.415 588 H HA -0.041 4.516 4.556 0.002 0.000 0.297 588 H C 2.276 177.617 175.328 0.022 0.000 1.048 588 H CA 0.970 57.039 56.048 0.035 0.000 1.365 588 H CB 0.260 30.022 29.762 0.001 0.000 1.421 588 H HN 0.136 nan 8.280 nan 0.000 0.533 589 K N 0.989 121.457 120.400 0.113 0.000 2.007 589 K HA 0.049 4.370 4.320 0.002 0.000 0.206 589 K C 0.962 177.555 176.600 -0.011 0.000 1.047 589 K CA 0.783 57.093 56.287 0.038 0.000 0.937 589 K CB -0.031 32.477 32.500 0.013 0.000 0.718 589 K HN 0.185 nan 8.250 nan 0.000 0.438 590 A N 0.270 123.055 122.820 -0.059 0.000 2.296 590 A HA 0.366 4.687 4.320 0.002 0.000 0.264 590 A C -0.623 176.870 177.584 -0.151 0.000 1.097 590 A CA -0.261 51.643 52.037 -0.221 0.000 0.811 590 A CB -0.233 18.519 19.000 -0.413 0.000 1.072 590 A HN 0.432 nan 8.150 nan 0.000 0.495 591 Y N -1.761 118.516 120.300 -0.039 0.000 2.922 591 Y HA -0.116 4.435 4.550 0.001 0.000 0.464 591 Y C 1.680 177.559 175.900 -0.034 0.000 1.226 591 Y CA 1.029 59.101 58.100 -0.047 0.000 2.409 591 Y CB -1.513 36.901 38.460 -0.076 0.000 1.270 591 Y HN 2.347 nan 8.280 nan 0.000 0.632 592 G N -0.918 107.976 108.800 0.156 0.000 2.148 592 G HA2 -0.361 3.600 3.960 0.002 0.000 0.254 592 G HA3 -0.361 3.600 3.960 0.002 0.000 0.254 592 G C 0.708 175.640 174.900 0.053 0.000 0.981 592 G CA 1.172 46.319 45.100 0.078 0.000 0.670 592 G HN 0.868 nan 8.290 nan 0.000 0.528 593 K N 0.148 120.586 120.400 0.064 0.000 1.975 593 K HA 0.200 4.521 4.320 0.002 0.000 0.210 593 K C 1.297 177.914 176.600 0.029 0.000 1.041 593 K CA 1.155 57.466 56.287 0.040 0.000 0.942 593 K CB 0.013 32.542 32.500 0.050 0.000 0.729 593 K HN 0.153 nan 8.250 nan 0.000 0.439 594 K N 1.415 121.835 120.400 0.033 0.000 2.457 594 K HA 0.253 4.574 4.320 0.002 0.000 0.226 594 K C -0.486 176.121 176.600 0.011 0.000 1.114 594 K CA 0.117 56.414 56.287 0.018 0.000 1.089 594 K CB 0.418 32.927 32.500 0.015 0.000 1.739 594 K HN 0.583 nan 8.250 nan 0.000 0.473 595 G N 1.170 109.977 108.800 0.011 0.000 2.725 595 G HA2 -0.228 3.733 3.960 0.002 0.000 0.220 595 G HA3 -0.228 3.733 3.960 0.002 0.000 0.220 595 G C 0.256 175.158 174.900 0.003 0.000 1.357 595 G CA -0.569 44.534 45.100 0.005 0.000 0.866 595 G HN 0.472 nan 8.290 nan 0.000 0.548 596 E N -0.254 119.944 120.200 -0.003 0.000 2.400 596 E HA 0.019 4.370 4.350 0.002 0.000 0.195 596 E C 2.356 178.934 176.600 -0.037 0.000 1.012 596 E CA 0.908 57.303 56.400 -0.008 0.000 0.875 596 E CB 0.128 29.832 29.700 0.007 0.000 0.859 596 E HN 0.535 nan 8.360 nan 0.000 0.498 597 K N 0.967 121.345 120.400 -0.037 0.000 2.032 597 K HA -0.125 4.196 4.320 0.002 0.000 0.209 597 K C 1.940 178.489 176.600 -0.085 0.000 1.048 597 K CA 1.197 57.453 56.287 -0.051 0.000 0.927 597 K CB -0.054 32.424 32.500 -0.038 0.000 0.712 597 K HN -0.021 nan 8.250 nan 0.000 0.441 598 I N 1.012 121.525 120.570 -0.094 0.000 2.286 598 I HA -0.212 3.959 4.170 0.002 0.000 0.248 598 I C 2.325 178.285 176.117 -0.262 0.000 1.115 598 I CA 0.992 62.194 61.300 -0.162 0.000 1.392 598 I CB -0.901 37.026 38.000 -0.121 0.000 1.065 598 I HN 0.083 nan 8.210 nan 0.000 0.418 599 V N 1.209 121.002 119.914 -0.200 0.000 2.358 599 V HA -0.266 3.855 4.120 0.002 0.000 0.246 599 V C 2.620 178.570 176.094 -0.239 0.000 1.047 599 V CA 1.888 64.036 62.300 -0.253 0.000 1.035 599 V CB -0.605 31.102 31.823 -0.194 0.000 0.658 599 V HN 0.319 nan 8.190 nan 0.000 0.452 600 K N 0.234 120.542 120.400 -0.152 0.000 2.097 600 K HA -0.099 4.222 4.320 0.002 0.000 0.205 600 K C 1.991 178.520 176.600 -0.119 0.000 1.050 600 K CA 1.810 58.032 56.287 -0.109 0.000 0.938 600 K CB -0.451 32.010 32.500 -0.065 0.000 0.718 600 K HN 0.390 nan 8.250 nan 0.000 0.442 601 M N 0.090 119.607 119.600 -0.137 0.000 2.159 601 M HA -0.144 4.337 4.480 0.002 0.000 0.263 601 M C 1.635 177.841 176.300 -0.156 0.000 1.063 601 M CA 1.973 57.194 55.300 -0.131 0.000 1.110 601 M CB -0.417 32.103 32.600 -0.133 0.000 1.374 601 M HN 0.210 nan 8.290 nan 0.000 0.411 602 N N -0.599 117.963 118.700 -0.230 0.000 2.216 602 N HA -0.093 4.648 4.740 0.002 0.000 0.183 602 N C 1.533 176.945 175.510 -0.164 0.000 1.017 602 N CA 1.523 54.428 53.050 -0.241 0.000 0.861 602 N CB -0.063 38.171 38.487 -0.421 0.000 0.986 602 N HN 0.210 nan 8.380 nan 0.000 0.428 603 T N 0.496 114.954 114.554 -0.160 0.000 2.746 603 T HA -0.107 4.244 4.350 0.002 0.000 0.267 603 T C 0.954 175.610 174.700 -0.073 0.000 1.039 603 T CA 1.172 63.206 62.100 -0.110 0.000 1.142 603 T CB -0.271 68.535 68.868 -0.103 0.000 0.866 603 T HN 0.201 nan 8.240 nan 0.000 0.444 604 D N 0.995 121.351 120.400 -0.072 0.000 2.178 604 D HA 0.050 4.691 4.640 0.002 0.000 0.202 604 D C 2.263 178.536 176.300 -0.045 0.000 0.974 604 D CA 0.964 54.934 54.000 -0.050 0.000 0.841 604 D CB -0.354 40.416 40.800 -0.050 0.000 0.953 604 D HN 0.388 nan 8.370 nan 0.000 0.478 605 A N 0.439 123.223 122.820 -0.061 0.000 1.873 605 A HA -0.130 4.191 4.320 0.002 0.000 0.215 605 A C 2.514 180.077 177.584 -0.034 0.000 1.186 605 A CA 1.180 53.187 52.037 -0.051 0.000 0.616 605 A CB -0.774 18.186 19.000 -0.066 0.000 0.823 605 A HN 0.131 nan 8.150 nan 0.000 0.442 606 V N 0.871 120.758 119.914 -0.044 0.000 2.287 606 V HA -0.266 3.855 4.120 0.002 0.000 0.248 606 V C 2.207 178.295 176.094 -0.010 0.000 1.053 606 V CA 2.366 64.647 62.300 -0.032 0.000 1.027 606 V CB -0.821 30.966 31.823 -0.059 0.000 0.646 606 V HN 0.533 nan 8.190 nan 0.000 0.447 607 D N -0.633 119.760 120.400 -0.012 0.000 2.117 607 D HA -0.223 4.418 4.640 0.002 0.000 0.197 607 D C 2.165 178.475 176.300 0.016 0.000 0.987 607 D CA 1.670 55.675 54.000 0.008 0.000 0.829 607 D CB -0.146 40.656 40.800 0.003 0.000 0.961 607 D HN 0.568 nan 8.370 nan 0.000 0.460 608 Q N 0.650 120.452 119.800 0.004 0.000 2.079 608 Q HA -0.081 4.260 4.340 0.002 0.000 0.200 608 Q C 2.033 178.042 176.000 0.014 0.000 0.974 608 Q CA 1.614 57.420 55.803 0.005 0.000 0.840 608 Q CB -0.050 28.684 28.738 -0.007 0.000 0.898 608 Q HN 0.181 nan 8.270 nan 0.000 0.430 609 A N -0.224 122.605 122.820 0.015 0.000 1.877 609 A HA -0.140 4.181 4.320 0.002 0.000 0.216 609 A C 2.244 179.857 177.584 0.049 0.000 1.186 609 A CA 1.588 53.641 52.037 0.027 0.000 0.620 609 A CB -0.895 18.122 19.000 0.028 0.000 0.822 609 A HN 0.304 nan 8.150 nan 0.000 0.443 610 V N -0.206 119.745 119.914 0.062 0.000 2.343 610 V HA -0.234 3.887 4.120 0.002 0.000 0.247 610 V C 2.759 178.903 176.094 0.083 0.000 1.051 610 V CA 2.486 64.848 62.300 0.103 0.000 1.036 610 V CB -1.168 30.746 31.823 0.151 0.000 0.654 610 V HN 0.627 nan 8.190 nan 0.000 0.451 611 T N -0.367 114.222 114.554 0.058 0.000 2.708 611 T HA -0.169 4.182 4.350 0.002 0.000 0.266 611 T C 2.033 176.755 174.700 0.036 0.000 1.037 611 T CA 1.982 64.105 62.100 0.039 0.000 1.146 611 T CB -0.233 68.650 68.868 0.026 0.000 0.865 611 T HN 0.497 nan 8.240 nan 0.000 0.435 612 S N 0.669 116.391 115.700 0.037 0.000 2.461 612 S HA 0.149 4.620 4.470 0.002 0.000 0.228 612 S C 0.583 175.222 174.600 0.064 0.000 1.005 612 S CA 0.104 58.326 58.200 0.037 0.000 0.942 612 S CB -0.126 63.089 63.200 0.025 0.000 0.776 612 S HN 0.154 nan 8.310 nan 0.000 0.514 613 L N 3.726 124.998 121.223 0.082 0.000 2.451 613 L HA 0.286 4.627 4.340 0.002 0.000 0.272 613 L C 0.054 177.065 176.870 0.236 0.000 1.258 613 L CA 0.735 55.656 54.840 0.134 0.000 1.132 613 L CB -1.097 41.002 42.059 0.066 0.000 1.361 613 L HN 0.213 nan 8.230 nan 0.000 0.438 614 Q N 1.523 121.467 119.800 0.240 0.000 2.399 614 Q HA 0.391 4.732 4.340 0.002 0.000 0.276 614 Q C -0.226 175.773 176.000 -0.002 0.000 1.098 614 Q CA -0.749 55.154 55.803 0.168 0.000 0.827 614 Q CB 1.922 30.679 28.738 0.031 0.000 1.386 614 Q HN 0.399 nan 8.270 nan 0.000 0.443 615 E N 0.879 120.912 120.200 -0.279 0.000 2.392 615 E HA 0.046 4.396 4.350 0.002 0.000 0.264 615 E C -0.773 175.661 176.600 -0.277 0.000 1.024 615 E CA 0.095 56.138 56.400 -0.595 0.000 0.903 615 E CB 0.515 29.936 29.700 -0.466 0.000 0.963 615 E HN 0.312 nan 8.360 nan 0.000 0.432 616 F N 3.542 123.256 119.950 -0.392 0.000 2.444 616 F HA 0.085 4.613 4.527 0.002 0.000 0.360 616 F C 0.326 176.040 175.800 -0.142 0.000 1.106 616 F CA -0.556 57.307 58.000 -0.229 0.000 1.170 616 F CB 0.454 39.263 39.000 -0.318 0.000 1.113 616 F HN 0.031 nan 8.300 nan 0.000 0.521 617 K N 8.222 128.411 120.400 -0.351 0.000 2.219 617 K HA 0.060 4.381 4.320 0.002 0.000 0.280 617 K C -0.918 175.471 176.600 -0.353 0.000 1.104 617 K CA -0.137 55.928 56.287 -0.370 0.000 0.925 617 K CB -0.106 32.185 32.500 -0.348 0.000 1.261 617 K HN 0.600 nan 8.250 nan 0.000 0.445 618 Y N 1.494 121.691 120.300 -0.172 0.000 2.307 618 Y HA 0.509 5.060 4.550 0.002 0.000 0.324 618 Y C -1.997 173.620 175.900 -0.472 0.000 1.238 618 Y CA -3.072 54.706 58.100 -0.537 0.000 1.280 618 Y CB -0.519 37.364 38.460 -0.962 0.000 1.248 618 Y HN 0.354 nan 8.280 nan 0.000 0.508 619 P HA 0.137 nan 4.420 nan 0.000 0.282 619 P C -0.481 176.821 177.300 0.004 0.000 1.249 619 P CA -0.232 62.765 63.100 -0.172 0.000 0.806 619 P CB 1.559 33.194 31.700 -0.108 0.000 0.984 620 D N 0.765 121.193 120.400 0.047 0.000 2.221 620 D HA -0.164 4.477 4.640 0.002 0.000 0.204 620 D C 1.667 178.067 176.300 0.166 0.000 0.982 620 D CA 1.688 55.759 54.000 0.119 0.000 0.857 620 D CB -0.038 40.801 40.800 0.064 0.000 0.934 620 D HN 0.360 nan 8.370 nan 0.000 0.475 621 S N -0.934 114.862 115.700 0.160 0.000 2.537 621 S HA -0.161 4.310 4.470 0.002 0.000 0.240 621 S C 1.468 176.255 174.600 0.310 0.000 0.981 621 S CA 0.158 58.474 58.200 0.192 0.000 0.948 621 S CB -0.511 62.791 63.200 0.169 0.000 0.759 621 S HN 0.375 nan 8.310 nan 0.000 0.531 622 W N 2.451 123.797 121.300 0.077 0.000 2.425 622 W HA 0.231 4.892 4.660 0.001 0.000 0.277 622 W C 2.051 178.563 176.519 -0.011 0.000 1.231 622 W CA -0.429 56.932 57.345 0.028 0.000 1.248 622 W CB -0.487 28.986 29.460 0.022 0.000 1.117 622 W HN 0.329 nan 8.180 nan 0.000 0.568 623 K N -0.038 120.499 120.400 0.229 0.000 2.218 623 K HA -0.191 4.130 4.320 0.002 0.000 0.205 623 K C 0.019 176.655 176.600 0.060 0.000 1.046 623 K CA 1.715 58.072 56.287 0.117 0.000 0.933 623 K CB -0.334 32.231 32.500 0.107 0.000 0.728 623 K HN 0.243 nan 8.250 nan 0.000 0.454 624 D N -1.532 118.907 120.400 0.064 0.000 2.940 624 D HA 0.185 4.826 4.640 0.002 0.000 0.366 624 D C -0.683 175.622 176.300 0.007 0.000 1.446 624 D CA -0.497 53.517 54.000 0.023 0.000 0.780 624 D CB 0.253 41.068 40.800 0.025 0.000 1.206 624 D HN 0.019 nan 8.370 nan 0.000 0.454 625 A N 1.960 124.770 122.820 -0.016 0.000 2.540 625 A HA 0.407 4.728 4.320 0.002 0.000 0.239 625 A C -1.870 175.669 177.584 -0.075 0.000 1.061 625 A CA -0.735 51.263 52.037 -0.064 0.000 0.758 625 A CB -0.083 18.804 19.000 -0.188 0.000 0.991 625 A HN 0.260 nan 8.150 nan 0.000 0.502 626 P HA 0.269 nan 4.420 nan 0.000 0.268 626 P C -0.064 177.189 177.300 -0.079 0.000 1.204 626 P CA 0.203 63.268 63.100 -0.058 0.000 0.768 626 P CB 0.751 32.425 31.700 -0.044 0.000 0.842 627 A N 3.326 126.104 122.820 -0.070 0.000 2.386 627 A HA 0.316 4.637 4.320 0.002 0.000 0.248 627 A C 0.618 178.159 177.584 -0.072 0.000 1.082 627 A CA -0.313 51.678 52.037 -0.077 0.000 0.789 627 A CB -0.173 18.788 19.000 -0.066 0.000 1.025 627 A HN 0.673 nan 8.150 nan 0.000 0.490 628 E N 0.152 120.305 120.200 -0.079 0.000 2.239 628 E HA 0.575 4.926 4.350 0.002 0.000 0.261 628 E C 0.191 176.755 176.600 -0.060 0.000 1.016 628 E CA -0.294 56.062 56.400 -0.074 0.000 0.882 628 E CB 0.657 30.304 29.700 -0.088 0.000 1.190 628 E HN 0.658 nan 8.360 nan 0.000 0.415 629 T N -1.288 113.233 114.554 -0.055 0.000 2.732 629 T HA 0.316 4.667 4.350 0.002 0.000 0.287 629 T C -0.191 174.483 174.700 -0.043 0.000 0.993 629 T CA -0.877 61.197 62.100 -0.045 0.000 0.966 629 T CB 0.327 69.170 68.868 -0.041 0.000 1.047 629 T HN 0.616 nan 8.240 nan 0.000 0.527 630 K N -0.242 120.137 120.400 -0.035 0.000 2.572 630 K HA 0.674 4.995 4.320 0.002 0.000 0.244 630 K C -0.310 176.276 176.600 -0.024 0.000 0.965 630 K CA -1.004 55.265 56.287 -0.030 0.000 0.943 630 K CB 1.310 33.794 32.500 -0.027 0.000 1.154 630 K HN 0.573 nan 8.250 nan 0.000 0.447 631 A N 3.203 126.009 122.820 -0.023 0.000 2.734 631 A HA 0.066 4.387 4.320 0.002 0.000 0.279 631 A C -0.161 177.417 177.584 -0.011 0.000 1.386 631 A CA -0.525 51.502 52.037 -0.017 0.000 0.987 631 A CB -0.789 18.201 19.000 -0.017 0.000 1.041 631 A HN 0.842 nan 8.150 nan 0.000 0.569 632 E N 1.620 121.813 120.200 -0.011 0.000 2.351 632 E HA 0.366 4.717 4.350 0.002 0.000 0.266 632 E C -2.060 174.536 176.600 -0.006 0.000 1.031 632 E CA -1.252 55.145 56.400 -0.005 0.000 0.911 632 E CB -0.040 29.657 29.700 -0.005 0.000 0.986 632 E HN 0.351 nan 8.360 nan 0.000 0.446 633 P HA -0.019 nan 4.420 nan 0.000 0.271 633 P C -0.434 176.848 177.300 -0.030 0.000 1.233 633 P CA -0.430 62.665 63.100 -0.008 0.000 0.789 633 P CB 0.588 32.288 31.700 -0.001 0.000 0.951 634 M N 1.157 120.741 119.600 -0.026 0.000 2.185 634 M HA 0.180 4.661 4.480 0.002 0.000 0.357 634 M C 0.295 176.511 176.300 -0.140 0.000 1.260 634 M CA 0.530 55.796 55.300 -0.056 0.000 1.124 634 M CB 0.629 33.215 32.600 -0.025 0.000 1.600 634 M HN 0.557 nan 8.290 nan 0.000 0.467 635 T N 3.281 117.664 114.554 -0.285 0.000 2.591 635 T HA 0.435 4.786 4.350 0.002 0.000 0.274 635 T C -0.445 173.892 174.700 -0.605 0.000 0.945 635 T CA -0.597 61.020 62.100 -0.805 0.000 1.087 635 T CB 1.170 69.556 68.868 -0.803 0.000 1.416 635 T HN 0.676 nan 8.240 nan 0.000 0.514 636 N N 1.527 119.791 118.700 -0.726 0.000 2.493 636 N HA 0.204 4.945 4.740 0.002 0.000 0.275 636 N C 1.262 176.754 175.510 -0.030 0.000 1.186 636 N CA -0.311 52.616 53.050 -0.205 0.000 0.978 636 N CB 1.228 39.733 38.487 0.030 0.000 1.184 636 N HN 0.716 nan 8.380 nan 0.000 0.487 637 E N 1.406 121.626 120.200 0.032 0.000 2.077 637 E HA -0.230 4.121 4.350 0.002 0.000 0.193 637 E C 1.600 178.244 176.600 0.074 0.000 0.989 637 E CA 1.393 57.817 56.400 0.040 0.000 0.800 637 E CB -0.702 29.027 29.700 0.049 0.000 0.746 637 E HN 0.658 nan 8.360 nan 0.000 0.452 638 F N 0.645 120.600 119.950 0.008 0.000 2.186 638 F HA -0.029 4.499 4.527 0.002 0.000 0.299 638 F C 2.191 178.009 175.800 0.030 0.000 1.090 638 F CA 1.048 59.051 58.000 0.006 0.000 1.307 638 F CB -0.322 38.699 39.000 0.035 0.000 1.019 638 F HN -0.005 nan 8.300 nan 0.000 0.489 639 F N 1.348 121.339 119.950 0.068 0.000 2.102 639 F HA -0.168 4.360 4.527 0.002 0.000 0.298 639 F C 2.307 178.035 175.800 -0.120 0.000 1.105 639 F CA 1.938 59.927 58.000 -0.019 0.000 1.239 639 F CB -0.457 38.465 39.000 -0.130 0.000 0.991 639 F HN -0.178 nan 8.300 nan 0.000 0.474 640 K N -0.349 120.034 120.400 -0.028 0.000 2.097 640 K HA -0.128 4.193 4.320 0.002 0.000 0.205 640 K C 1.569 178.054 176.600 -0.192 0.000 1.050 640 K CA 1.392 57.621 56.287 -0.096 0.000 0.938 640 K CB -0.189 32.287 32.500 -0.040 0.000 0.718 640 K HN 0.251 nan 8.250 nan 0.000 0.442 641 N N -0.371 118.193 118.700 -0.227 0.000 2.409 641 N HA -0.031 4.710 4.740 0.002 0.000 0.174 641 N C 1.486 176.773 175.510 -0.371 0.000 1.037 641 N CA 0.660 53.559 53.050 -0.252 0.000 0.898 641 N CB 0.586 38.949 38.487 -0.207 0.000 1.010 641 N HN -0.049 nan 8.380 nan 0.000 0.445 642 V N -0.574 119.001 119.914 -0.566 0.000 3.054 642 V HA 0.083 4.204 4.120 0.002 0.000 0.227 642 V C 2.015 177.823 176.094 -0.476 0.000 1.252 642 V CA 0.415 62.333 62.300 -0.637 0.000 1.279 642 V CB -0.209 30.898 31.823 -1.192 0.000 1.118 642 V HN 0.045 nan 8.190 nan 0.000 0.504 643 V N 0.381 119.947 119.914 -0.580 0.000 2.307 643 V HA -0.187 3.934 4.120 0.002 0.000 0.245 643 V C 2.268 178.068 176.094 -0.491 0.000 1.045 643 V CA 2.796 64.860 62.300 -0.392 0.000 1.024 643 V CB -0.396 31.340 31.823 -0.144 0.000 0.651 643 V HN 0.547 nan 8.190 nan 0.000 0.449 644 K N 0.227 120.173 120.400 -0.757 0.000 2.057 644 K HA -0.072 4.249 4.320 0.002 0.000 0.207 644 K C -0.022 176.455 176.600 -0.205 0.000 1.049 644 K CA 1.835 57.827 56.287 -0.491 0.000 0.931 644 K CB -1.049 31.213 32.500 -0.397 0.000 0.714 644 K HN 0.494 nan 8.250 nan 0.000 0.440 645 P HA -0.133 nan 4.420 nan 0.000 0.217 645 P C 1.089 178.369 177.300 -0.033 0.000 1.150 645 P CA 1.203 64.250 63.100 -0.089 0.000 0.832 645 P CB 0.054 31.691 31.700 -0.105 0.000 0.787 646 I N -1.289 119.255 120.570 -0.043 0.000 2.163 646 I HA -0.201 3.970 4.170 0.002 0.000 0.240 646 I C 2.316 178.463 176.117 0.050 0.000 1.081 646 I CA 1.256 62.573 61.300 0.028 0.000 1.353 646 I CB -0.698 37.346 38.000 0.074 0.000 1.054 646 I HN -0.140 nan 8.210 nan 0.000 0.407 647 L N 0.389 121.633 121.223 0.035 0.000 2.127 647 L HA -0.181 4.160 4.340 0.002 0.000 0.211 647 L C 2.167 179.151 176.870 0.190 0.000 1.089 647 L CA 1.778 56.681 54.840 0.105 0.000 0.757 647 L CB -0.923 41.193 42.059 0.095 0.000 0.899 647 L HN 0.451 nan 8.230 nan 0.000 0.434 648 T N -3.901 110.738 114.554 0.141 0.000 3.278 648 T HA 0.086 4.437 4.350 0.002 0.000 0.251 648 T C 0.583 175.439 174.700 0.259 0.000 1.039 648 T CA -0.363 61.876 62.100 0.231 0.000 0.935 648 T CB 0.302 69.216 68.868 0.077 0.000 1.034 648 T HN 0.295 nan 8.240 nan 0.000 0.575 649 Q N 0.214 120.118 119.800 0.173 0.000 2.502 649 Q HA -0.148 4.193 4.340 0.002 0.000 0.273 649 Q C 0.109 176.156 176.000 0.078 0.000 1.127 649 Q CA 0.759 56.622 55.803 0.101 0.000 0.952 649 Q CB -2.154 26.643 28.738 0.098 0.000 1.333 649 Q HN 0.672 nan 8.270 nan 0.000 0.494 650 Q N -1.747 118.090 119.800 0.062 0.000 2.159 650 Q HA 0.238 4.579 4.340 0.002 0.000 0.217 650 Q C 1.672 177.694 176.000 0.037 0.000 0.818 650 Q CA 0.726 56.554 55.803 0.041 0.000 1.008 650 Q CB 0.662 29.414 28.738 0.023 0.000 1.148 650 Q HN 0.424 nan 8.270 nan 0.000 0.491 651 G N 1.577 110.406 108.800 0.048 0.000 2.462 651 G HA2 -0.238 3.723 3.960 0.002 0.000 0.220 651 G HA3 -0.238 3.723 3.960 0.002 0.000 0.220 651 G C 1.057 176.012 174.900 0.091 0.000 1.121 651 G CA 0.615 45.764 45.100 0.082 0.000 0.758 651 G HN 0.290 nan 8.290 nan 0.000 0.559 652 D N 0.319 120.750 120.400 0.051 0.000 2.309 652 D HA -0.048 4.593 4.640 0.002 0.000 0.212 652 D C 2.129 178.462 176.300 0.054 0.000 0.968 652 D CA 0.717 54.744 54.000 0.045 0.000 0.882 652 D CB 0.064 40.877 40.800 0.021 0.000 0.918 652 D HN 0.351 nan 8.370 nan 0.000 0.503 653 K N -0.015 120.412 120.400 0.046 0.000 2.418 653 K HA 0.014 4.335 4.320 0.002 0.000 0.195 653 K C 0.367 176.988 176.600 0.036 0.000 1.035 653 K CA -0.254 56.052 56.287 0.032 0.000 1.003 653 K CB 0.407 32.915 32.500 0.013 0.000 0.793 653 K HN -0.055 nan 8.250 nan 0.000 0.494 654 L N 2.891 124.153 121.223 0.066 0.000 2.455 654 L HA 0.082 4.423 4.340 0.002 0.000 0.272 654 L C -1.863 175.077 176.870 0.116 0.000 1.174 654 L CA -2.000 52.868 54.840 0.047 0.000 0.869 654 L CB 0.001 42.108 42.059 0.081 0.000 1.130 654 L HN 0.033 nan 8.230 nan 0.000 0.474 655 P HA 0.072 nan 4.420 nan 0.000 0.279 655 P C 0.908 178.298 177.300 0.149 0.000 1.276 655 P CA -0.417 62.729 63.100 0.076 0.000 0.801 655 P CB 0.989 32.697 31.700 0.013 0.000 1.127 656 V N -0.149 119.857 119.914 0.153 0.000 2.759 656 V HA -0.167 3.954 4.120 0.002 0.000 0.256 656 V C 2.097 178.284 176.094 0.155 0.000 1.080 656 V CA 2.589 65.023 62.300 0.222 0.000 1.101 656 V CB -1.638 30.266 31.823 0.135 0.000 0.698 656 V HN 0.703 nan 8.190 nan 0.000 0.477 657 S N 0.712 116.434 115.700 0.036 0.000 2.507 657 S HA 0.099 4.570 4.470 0.002 0.000 0.235 657 S C 1.941 176.468 174.600 -0.121 0.000 0.988 657 S CA 1.045 59.232 58.200 -0.021 0.000 0.944 657 S CB -0.522 62.660 63.200 -0.031 0.000 0.762 657 S HN 1.079 nan 8.310 nan 0.000 0.526 658 A N 0.210 122.849 122.820 -0.302 0.000 2.167 658 A HA 0.410 4.731 4.320 0.002 0.000 0.214 658 A C 0.398 177.522 177.584 -0.767 0.000 1.151 658 A CA 0.026 51.695 52.037 -0.613 0.000 0.735 658 A CB -0.414 18.006 19.000 -0.967 0.000 0.802 658 A HN 0.533 nan 8.150 nan 0.000 0.467 659 F N 0.181 120.128 119.950 -0.004 0.000 2.470 659 F HA 0.387 4.915 4.527 0.002 0.000 0.329 659 F C 0.539 176.345 175.800 0.009 0.000 1.072 659 F CA -1.073 56.931 58.000 0.008 0.000 0.989 659 F CB 0.918 39.939 39.000 0.034 0.000 1.193 659 F HN -0.018 nan 8.300 nan 0.000 0.481 660 E N 0.714 121.030 120.200 0.195 0.000 2.373 660 E HA 0.137 4.488 4.350 0.002 0.000 0.267 660 E C 0.639 177.322 176.600 0.137 0.000 1.032 660 E CA 0.082 56.557 56.400 0.125 0.000 0.889 660 E CB 1.345 31.106 29.700 0.101 0.000 0.984 660 E HN 0.779 nan 8.360 nan 0.000 0.425 661 A N 3.161 126.035 122.820 0.091 0.000 2.019 661 A HA -0.200 4.121 4.320 0.002 0.000 0.219 661 A C 1.232 178.870 177.584 0.089 0.000 1.164 661 A CA 1.815 53.893 52.037 0.068 0.000 0.644 661 A CB -0.268 18.760 19.000 0.047 0.000 0.805 661 A HN 0.575 nan 8.150 nan 0.000 0.449 662 D N -2.651 117.819 120.400 0.116 0.000 2.328 662 D HA 0.319 4.960 4.640 0.002 0.000 0.221 662 D C 1.099 177.526 176.300 0.212 0.000 1.072 662 D CA 0.708 54.794 54.000 0.143 0.000 0.850 662 D CB -0.519 40.351 40.800 0.117 0.000 0.922 662 D HN 0.672 nan 8.370 nan 0.000 0.516 663 G N 1.194 110.151 108.800 0.261 0.000 2.159 663 G HA2 -0.361 3.600 3.960 0.002 0.000 0.256 663 G HA3 -0.361 3.600 3.960 0.002 0.000 0.256 663 G C 0.375 175.508 174.900 0.389 0.000 0.977 663 G CA 0.129 45.463 45.100 0.390 0.000 0.652 663 G HN 0.757 nan 8.290 nan 0.000 0.531 664 R N -1.109 119.559 120.500 0.279 0.000 2.738 664 R HA 0.632 4.973 4.340 0.002 0.000 0.268 664 R C -0.654 175.848 176.300 0.336 0.000 1.062 664 R CA -0.047 56.218 56.100 0.275 0.000 1.158 664 R CB 0.415 30.809 30.300 0.158 0.000 1.046 664 R HN 0.104 nan 8.270 nan 0.000 0.493 665 F N 0.486 120.490 119.950 0.090 0.000 2.577 665 F HA 0.479 5.007 4.527 0.002 0.000 0.318 665 F C -1.877 173.870 175.800 -0.089 0.000 1.065 665 F CA -2.559 55.457 58.000 0.026 0.000 0.929 665 F CB 1.797 40.863 39.000 0.109 0.000 1.237 665 F HN 0.588 nan 8.300 nan 0.000 0.468 666 P HA 0.329 nan 4.420 nan 0.000 0.277 666 P C -0.825 176.483 177.300 0.013 0.000 1.240 666 P CA -0.385 62.617 63.100 -0.165 0.000 0.798 666 P CB 1.005 32.445 31.700 -0.433 0.000 0.979 667 L N 0.679 121.922 121.223 0.034 0.000 2.476 667 L HA 0.368 4.709 4.340 0.002 0.000 0.255 667 L C 1.808 178.735 176.870 0.095 0.000 1.218 667 L CA 1.479 56.365 54.840 0.076 0.000 0.819 667 L CB -0.768 41.328 42.059 0.063 0.000 1.119 667 L HN 0.851 nan 8.230 nan 0.000 0.485 668 G N -0.650 108.207 108.800 0.095 0.000 2.179 668 G HA2 -0.346 3.615 3.960 0.002 0.000 0.257 668 G HA3 -0.346 3.615 3.960 0.002 0.000 0.257 668 G C 0.929 175.909 174.900 0.134 0.000 1.010 668 G CA 0.910 46.050 45.100 0.067 0.000 0.736 668 G HN 0.890 nan 8.290 nan 0.000 0.513 669 T N -1.758 112.961 114.554 0.275 0.000 2.962 669 T HA -0.031 4.320 4.350 0.002 0.000 0.270 669 T C 2.642 177.575 174.700 0.388 0.000 1.088 669 T CA 1.962 64.352 62.100 0.483 0.000 1.127 669 T CB -0.413 68.823 68.868 0.614 0.000 0.883 669 T HN 1.389 nan 8.240 nan 0.000 0.493 670 S N 1.172 117.011 115.700 0.233 0.000 2.447 670 S HA -0.142 4.329 4.470 0.002 0.000 0.233 670 S C 2.073 176.772 174.600 0.165 0.000 1.006 670 S CA 0.395 58.734 58.200 0.232 0.000 0.957 670 S CB -0.587 62.745 63.200 0.220 0.000 0.773 670 S HN 0.399 nan 8.310 nan 0.000 0.507 671 Q N 0.499 120.250 119.800 -0.081 0.000 2.234 671 Q HA -0.015 4.326 4.340 0.002 0.000 0.206 671 Q C 1.024 176.663 176.000 -0.603 0.000 0.980 671 Q CA 1.278 56.878 55.803 -0.338 0.000 0.869 671 Q CB -0.497 27.744 28.738 -0.828 0.000 0.912 671 Q HN 0.863 nan 8.270 nan 0.000 0.436 672 F N -0.607 119.240 119.950 -0.171 0.000 2.678 672 F HA 0.186 4.715 4.527 0.002 0.000 0.305 672 F C 1.812 177.407 175.800 -0.342 0.000 1.090 672 F CA -0.293 57.414 58.000 -0.488 0.000 1.272 672 F CB 0.338 38.565 39.000 -1.289 0.000 1.060 672 F HN 0.011 nan 8.300 nan 0.000 0.576 673 E N 0.750 120.993 120.200 0.071 0.000 2.072 673 E HA -0.123 4.228 4.350 0.002 0.000 0.191 673 E C 0.411 177.050 176.600 0.065 0.000 0.985 673 E CA 0.520 57.034 56.400 0.190 0.000 0.801 673 E CB -0.034 29.806 29.700 0.233 0.000 0.750 673 E HN -0.006 nan 8.360 nan 0.000 0.452 674 K N 0.722 121.084 120.400 -0.064 0.000 3.777 674 K HA -0.257 4.064 4.320 0.002 0.000 0.276 674 K C 0.449 177.030 176.600 -0.031 0.000 0.877 674 K CA 0.549 56.769 56.287 -0.112 0.000 0.724 674 K CB -1.146 31.297 32.500 -0.095 0.000 1.589 674 K HN 0.300 nan 8.250 nan 0.000 0.444 675 R N -0.004 120.491 120.500 -0.008 0.000 2.148 675 R HA -0.072 4.269 4.340 0.002 0.000 0.227 675 R C 1.447 177.769 176.300 0.037 0.000 1.103 675 R CA 0.903 57.032 56.100 0.047 0.000 0.983 675 R CB 0.047 30.390 30.300 0.072 0.000 0.874 675 R HN 0.654 nan 8.270 nan 0.000 0.451 676 G N 1.002 109.800 108.800 -0.004 0.000 2.323 676 G HA2 -0.242 3.719 3.960 0.002 0.000 0.292 676 G HA3 -0.242 3.719 3.960 0.002 0.000 0.292 676 G C 0.564 175.479 174.900 0.025 0.000 1.040 676 G CA 0.449 45.551 45.100 0.004 0.000 0.942 676 G HN 0.364 nan 8.290 nan 0.000 0.506 677 V N -3.412 116.514 119.914 0.019 0.000 3.647 677 V HA 0.731 4.852 4.120 0.002 0.000 0.279 677 V C 1.438 177.539 176.094 0.012 0.000 1.314 677 V CA 0.650 62.971 62.300 0.036 0.000 1.125 677 V CB -0.137 31.721 31.823 0.059 0.000 0.907 677 V HN 1.573 nan 8.190 nan 0.000 0.434 678 A N 0.538 123.352 122.820 -0.010 0.000 2.407 678 A HA 0.582 4.903 4.320 0.002 0.000 0.248 678 A C 1.134 178.719 177.584 0.002 0.000 1.082 678 A CA -0.211 51.819 52.037 -0.013 0.000 0.785 678 A CB 0.315 19.300 19.000 -0.025 0.000 1.020 678 A HN 0.205 nan 8.150 nan 0.000 0.489 679 I N 0.575 121.148 120.570 0.004 0.000 2.385 679 I HA 0.017 4.188 4.170 0.002 0.000 0.244 679 I C 0.417 176.539 176.117 0.009 0.000 1.089 679 I CA 0.999 62.304 61.300 0.008 0.000 1.410 679 I CB -1.036 36.968 38.000 0.007 0.000 1.117 679 I HN 0.541 nan 8.210 nan 0.000 0.429 680 N N 0.825 119.529 118.700 0.007 0.000 2.314 680 N HA 0.509 5.250 4.740 0.002 0.000 0.304 680 N C -0.631 174.884 175.510 0.008 0.000 1.073 680 N CA -0.210 52.846 53.050 0.010 0.000 0.822 680 N CB 3.217 41.711 38.487 0.011 0.000 1.280 680 N HN -0.049 nan 8.380 nan 0.000 0.489 681 V N -1.226 118.696 119.914 0.013 0.000 3.040 681 V HA 0.764 4.885 4.120 0.002 0.000 0.312 681 V C -2.735 173.375 176.094 0.026 0.000 1.115 681 V CA -2.323 59.985 62.300 0.014 0.000 0.998 681 V CB 2.609 34.437 31.823 0.009 0.000 1.042 681 V HN 0.448 nan 8.190 nan 0.000 0.433 682 P HA 0.258 nan 4.420 nan 0.000 0.275 682 P C -1.311 176.029 177.300 0.067 0.000 1.227 682 P CA 0.010 63.141 63.100 0.051 0.000 0.781 682 P CB 0.980 32.713 31.700 0.056 0.000 0.906 683 Q N 2.823 122.673 119.800 0.082 0.000 2.333 683 Q HA 0.274 4.615 4.340 0.002 0.000 0.265 683 Q C -1.287 174.813 176.000 0.168 0.000 0.989 683 Q CA -0.823 55.040 55.803 0.101 0.000 0.842 683 Q CB 0.848 29.624 28.738 0.062 0.000 1.262 683 Q HN 0.382 nan 8.270 nan 0.000 0.451 684 W N 4.652 125.941 121.300 -0.019 0.000 2.190 684 W HA 0.359 5.020 4.660 0.002 0.000 0.330 684 W C -1.175 175.337 176.519 -0.012 0.000 1.299 684 W CA -0.368 56.967 57.345 -0.017 0.000 1.215 684 W CB 0.879 30.315 29.460 -0.039 0.000 1.147 684 W HN 0.397 nan 8.180 nan 0.000 0.563 685 V N 9.885 129.551 119.914 -0.415 0.000 2.276 685 V HA 0.137 4.258 4.120 0.002 0.000 0.268 685 V C -1.284 174.327 176.094 -0.805 0.000 1.032 685 V CA -1.308 60.721 62.300 -0.452 0.000 0.810 685 V CB 1.107 32.803 31.823 -0.212 0.000 1.060 685 V HN 0.507 nan 8.190 nan 0.000 0.446 686 P HA -0.169 nan 4.420 nan 0.000 0.217 686 P C 1.058 178.044 177.300 -0.523 0.000 1.148 686 P CA 1.293 63.600 63.100 -1.322 0.000 0.828 686 P CB 0.517 31.496 31.700 -1.202 0.000 0.783 687 E N -0.272 119.717 120.200 -0.351 0.000 2.338 687 E HA -0.118 4.233 4.350 0.002 0.000 0.197 687 E C 1.426 177.946 176.600 -0.133 0.000 1.007 687 E CA 0.978 57.269 56.400 -0.182 0.000 0.849 687 E CB -0.913 28.706 29.700 -0.135 0.000 0.774 687 E HN 0.517 nan 8.360 nan 0.000 0.506 688 N N -0.674 117.932 118.700 -0.157 0.000 2.282 688 N HA 0.062 4.803 4.740 0.002 0.000 0.185 688 N C -0.207 175.286 175.510 -0.029 0.000 1.099 688 N CA -0.317 52.685 53.050 -0.079 0.000 0.878 688 N CB 0.427 38.873 38.487 -0.070 0.000 0.993 688 N HN 0.054 nan 8.380 nan 0.000 0.481 689 C N 2.055 121.342 119.300 -0.022 0.000 2.632 689 C HA 0.194 4.655 4.460 0.002 0.000 0.415 689 C C 1.703 176.763 174.990 0.117 0.000 1.332 689 C CA -0.613 58.489 59.018 0.140 0.000 1.874 689 C CB -1.052 26.920 27.740 0.386 0.000 2.596 689 C HN 0.466 nan 8.230 nan 0.000 0.590 690 I N 2.111 122.736 120.570 0.093 0.000 3.928 690 I HA 0.231 4.402 4.170 0.002 0.000 0.335 690 I C 0.767 176.860 176.117 -0.039 0.000 1.325 690 I CA 0.033 61.346 61.300 0.022 0.000 1.107 690 I CB -0.664 37.338 38.000 0.005 0.000 1.014 690 I HN 0.845 nan 8.210 nan 0.000 0.400 691 Q N 0.766 120.550 119.800 -0.027 0.000 2.463 691 Q HA -0.219 4.122 4.340 0.002 0.000 0.299 691 Q C 1.180 177.035 176.000 -0.243 0.000 1.353 691 Q CA 0.618 56.212 55.803 -0.348 0.000 0.828 691 Q CB -2.351 25.874 28.738 -0.856 0.000 1.157 691 Q HN 0.943 nan 8.270 nan 0.000 0.436 692 C N -3.098 116.167 119.300 -0.059 0.000 2.634 692 C HA 0.208 4.669 4.460 0.002 0.000 0.268 692 C C 1.146 176.104 174.990 -0.053 0.000 1.322 692 C CA 0.521 59.501 59.018 -0.063 0.000 1.737 692 C CB -0.588 27.128 27.740 -0.040 0.000 1.976 692 C HN 0.843 nan 8.230 nan 0.000 0.547 693 N N 0.150 118.860 118.700 0.017 0.000 2.828 693 N HA -0.264 4.477 4.740 0.002 0.000 0.248 693 N C 0.873 176.390 175.510 0.011 0.000 1.044 693 N CA 1.011 54.065 53.050 0.008 0.000 0.851 693 N CB -1.093 37.319 38.487 -0.126 0.000 1.136 693 N HN 0.728 nan 8.380 nan 0.000 0.572 694 Q N -0.097 119.701 119.800 -0.002 0.000 2.167 694 Q HA -0.167 4.174 4.340 0.002 0.000 0.202 694 Q C 2.598 178.626 176.000 0.047 0.000 0.970 694 Q CA 1.835 57.630 55.803 -0.013 0.000 0.855 694 Q CB -0.052 28.652 28.738 -0.056 0.000 0.911 694 Q HN 0.824 nan 8.270 nan 0.000 0.438 695 C N -0.783 118.543 119.300 0.043 0.000 2.429 695 C HA 0.027 4.488 4.460 0.002 0.000 0.277 695 C C 2.709 177.718 174.990 0.032 0.000 1.262 695 C CA 0.436 59.478 59.018 0.039 0.000 1.733 695 C CB -1.305 26.458 27.740 0.038 0.000 2.010 695 C HN 0.460 nan 8.230 nan 0.000 0.483 696 A N 0.153 122.985 122.820 0.019 0.000 1.933 696 A HA -0.066 4.255 4.320 0.002 0.000 0.218 696 A C 2.034 179.629 177.584 0.018 0.000 1.175 696 A CA 1.638 53.670 52.037 -0.008 0.000 0.628 696 A CB -1.115 17.855 19.000 -0.051 0.000 0.814 696 A HN 0.651 nan 8.150 nan 0.000 0.444 697 F N -0.194 119.705 119.950 -0.086 0.000 2.171 697 F HA -0.126 4.402 4.527 0.002 0.000 0.300 697 F C 2.088 177.832 175.800 -0.093 0.000 1.090 697 F CA 1.755 59.707 58.000 -0.079 0.000 1.293 697 F CB 0.183 39.148 39.000 -0.059 0.000 1.013 697 F HN 0.056 nan 8.300 nan 0.000 0.486 698 V N -0.814 119.191 119.914 0.153 0.000 3.506 698 V HA -0.036 4.085 4.120 0.002 0.000 0.263 698 V C 0.847 176.915 176.094 -0.044 0.000 1.203 698 V CA 0.160 62.488 62.300 0.046 0.000 1.133 698 V CB -0.296 31.565 31.823 0.064 0.000 0.802 698 V HN 0.394 nan 8.190 nan 0.000 0.459 699 C N 2.970 122.244 119.300 -0.043 0.000 2.648 699 C HA 0.178 4.639 4.460 0.002 0.000 0.415 699 C C -0.669 174.253 174.990 -0.113 0.000 1.366 699 C CA -0.884 58.106 59.018 -0.046 0.000 1.756 699 C CB 0.444 28.176 27.740 -0.013 0.000 2.549 699 C HN 0.337 nan 8.230 nan 0.000 0.597 700 P HA 0.119 nan 4.420 nan 0.000 0.249 700 P C -0.077 176.894 177.300 -0.547 0.000 1.229 700 P CA 1.127 64.058 63.100 -0.282 0.000 0.788 700 P CB -0.022 31.554 31.700 -0.206 0.000 1.072 701 H N -3.108 115.887 119.070 -0.124 0.000 3.367 701 H HA 0.277 4.834 4.556 0.001 0.000 0.257 701 H C 0.504 175.816 175.328 -0.027 0.000 1.201 701 H CA 0.028 56.035 56.048 -0.069 0.000 1.102 701 H CB 0.271 30.045 29.762 0.020 0.000 1.656 701 H HN -0.225 nan 8.280 nan 0.000 0.662 702 S N 0.127 115.806 115.700 -0.035 0.000 3.635 702 S HA -0.245 4.226 4.470 0.002 0.000 0.328 702 S C 1.207 175.888 174.600 0.134 0.000 1.135 702 S CA 0.496 58.660 58.200 -0.060 0.000 0.942 702 S CB -1.365 61.663 63.200 -0.287 0.000 0.930 702 S HN 0.667 nan 8.310 nan 0.000 0.512 703 A N 0.017 122.933 122.820 0.160 0.000 2.337 703 A HA 0.523 4.844 4.320 0.002 0.000 0.227 703 A C 0.486 178.102 177.584 0.054 0.000 1.259 703 A CA 0.142 52.270 52.037 0.153 0.000 0.870 703 A CB -0.012 19.047 19.000 0.100 0.000 0.927 703 A HN 0.626 nan 8.150 nan 0.000 0.497 704 I N 0.393 120.973 120.570 0.016 0.000 2.436 704 I HA 0.347 4.518 4.170 0.002 0.000 0.289 704 I C -1.114 174.967 176.117 -0.059 0.000 1.010 704 I CA -0.846 60.429 61.300 -0.041 0.000 1.098 704 I CB 2.059 40.023 38.000 -0.058 0.000 1.266 704 I HN 0.085 nan 8.210 nan 0.000 0.434 705 L N 9.775 130.946 121.223 -0.087 0.000 2.318 705 L HA 0.635 4.976 4.340 0.002 0.000 0.277 705 L C -2.641 174.134 176.870 -0.159 0.000 1.008 705 L CA -1.831 52.960 54.840 -0.082 0.000 0.846 705 L CB 1.135 43.176 42.059 -0.029 0.000 1.220 705 L HN 0.217 nan 8.230 nan 0.000 0.423 706 P HA 0.202 nan 4.420 nan 0.000 0.271 706 P C -1.159 176.075 177.300 -0.110 0.000 1.216 706 P CA -0.096 62.869 63.100 -0.225 0.000 0.771 706 P CB 1.116 32.766 31.700 -0.083 0.000 0.864 707 V N 5.071 124.818 119.914 -0.278 0.000 2.448 707 V HA 0.379 4.500 4.120 0.002 0.000 0.295 707 V C -0.246 175.798 176.094 -0.084 0.000 1.025 707 V CA -0.504 61.733 62.300 -0.105 0.000 0.859 707 V CB 1.626 33.414 31.823 -0.059 0.000 0.988 707 V HN 0.345 nan 8.190 nan 0.000 0.431 708 L N 5.270 126.460 121.223 -0.054 0.000 2.388 708 L HA 0.891 5.232 4.340 0.002 0.000 0.267 708 L C -0.037 176.798 176.870 -0.058 0.000 0.995 708 L CA 0.084 54.838 54.840 -0.143 0.000 0.864 708 L CB 1.038 42.697 42.059 -0.666 0.000 1.216 708 L HN 0.767 nan 8.230 nan 0.000 0.430 709 A N 4.677 127.578 122.820 0.136 0.000 2.423 709 A HA 0.814 5.135 4.320 0.002 0.000 0.304 709 A C -0.924 176.840 177.584 0.300 0.000 1.104 709 A CA -0.852 51.303 52.037 0.197 0.000 0.757 709 A CB 1.343 20.460 19.000 0.195 0.000 1.313 709 A HN 0.516 nan 8.150 nan 0.000 0.423 710 K N 0.897 121.425 120.400 0.213 0.000 2.118 710 K HA 0.183 4.504 4.320 0.002 0.000 0.264 710 K C 0.793 177.445 176.600 0.087 0.000 1.000 710 K CA 0.177 56.528 56.287 0.106 0.000 0.929 710 K CB 1.135 33.663 32.500 0.047 0.000 1.021 710 K HN 0.890 nan 8.250 nan 0.000 0.463 711 E N 1.687 121.916 120.200 0.048 0.000 2.108 711 E HA -0.293 4.058 4.350 0.002 0.000 0.203 711 E C 0.991 177.628 176.600 0.061 0.000 1.022 711 E CA 1.670 58.103 56.400 0.055 0.000 0.823 711 E CB -0.163 29.560 29.700 0.038 0.000 0.744 711 E HN 0.506 nan 8.360 nan 0.000 0.456 712 E N 0.917 121.141 120.200 0.040 0.000 2.209 712 E HA -0.202 4.149 4.350 0.002 0.000 0.196 712 E C 1.668 178.298 176.600 0.050 0.000 0.993 712 E CA 1.348 57.769 56.400 0.035 0.000 0.819 712 E CB -0.183 29.530 29.700 0.021 0.000 0.745 712 E HN 0.606 nan 8.360 nan 0.000 0.477 713 E N -0.081 120.158 120.200 0.065 0.000 2.489 713 E HA 0.007 4.358 4.350 0.002 0.000 0.193 713 E C 0.829 177.506 176.600 0.128 0.000 1.057 713 E CA -0.112 56.326 56.400 0.063 0.000 0.866 713 E CB 0.287 30.015 29.700 0.046 0.000 0.916 713 E HN 0.006 nan 8.360 nan 0.000 0.500 714 L N -0.212 121.096 121.223 0.142 0.000 2.693 714 L HA 0.058 4.399 4.340 0.002 0.000 0.235 714 L C 1.574 178.497 176.870 0.089 0.000 1.127 714 L CA 0.399 55.337 54.840 0.163 0.000 0.914 714 L CB 0.459 42.621 42.059 0.172 0.000 1.193 714 L HN -0.013 nan 8.230 nan 0.000 0.502 715 V N 0.357 120.322 119.914 0.084 0.000 2.231 715 V HA -0.260 3.861 4.120 0.002 0.000 0.248 715 V C 2.107 178.210 176.094 0.014 0.000 1.054 715 V CA 2.260 64.586 62.300 0.045 0.000 1.015 715 V CB -0.980 30.868 31.823 0.042 0.000 0.638 715 V HN 0.560 nan 8.190 nan 0.000 0.444 716 G N -0.924 107.905 108.800 0.049 0.000 3.314 716 G HA2 0.400 4.361 3.960 0.002 0.000 0.238 716 G HA3 0.400 4.361 3.960 0.002 0.000 0.238 716 G C 0.469 175.231 174.900 -0.229 0.000 1.184 716 G CA 0.470 45.565 45.100 -0.008 0.000 0.806 716 G HN 0.641 nan 8.290 nan 0.000 0.536 717 A N 1.047 123.582 122.820 -0.475 0.000 2.445 717 A HA 0.547 4.868 4.320 0.002 0.000 0.242 717 A C -1.757 175.507 177.584 -0.534 0.000 1.075 717 A CA -0.822 50.563 52.037 -1.085 0.000 0.777 717 A CB 0.123 18.583 19.000 -0.900 0.000 1.013 717 A HN 0.211 nan 8.150 nan 0.000 0.493 718 P HA 0.153 nan 4.420 nan 0.000 0.266 718 P C 0.888 178.154 177.300 -0.057 0.000 1.193 718 P CA 0.657 63.647 63.100 -0.184 0.000 0.770 718 P CB 0.538 32.180 31.700 -0.097 0.000 0.836 719 A N 3.217 126.024 122.820 -0.022 0.000 1.978 719 A HA -0.217 4.104 4.320 0.002 0.000 0.220 719 A C 1.422 179.033 177.584 0.045 0.000 1.170 719 A CA 1.912 53.954 52.037 0.009 0.000 0.636 719 A CB -1.260 17.743 19.000 0.005 0.000 0.810 719 A HN 0.818 nan 8.150 nan 0.000 0.448 720 N N -2.216 116.521 118.700 0.063 0.000 2.276 720 N HA 0.109 4.850 4.740 0.002 0.000 0.212 720 N C -0.032 175.555 175.510 0.127 0.000 1.127 720 N CA -0.367 52.729 53.050 0.078 0.000 0.834 720 N CB -0.052 38.471 38.487 0.059 0.000 1.014 720 N HN 0.280 nan 8.380 nan 0.000 0.491 721 F N 3.110 123.052 119.950 -0.013 0.000 2.651 721 F HA 0.131 4.659 4.527 0.002 0.000 0.369 721 F C 0.155 175.995 175.800 0.066 0.000 1.187 721 F CA -0.207 57.798 58.000 0.009 0.000 1.335 721 F CB -0.692 38.263 39.000 -0.075 0.000 1.707 721 F HN -0.092 nan 8.300 nan 0.000 0.637 722 T N 2.714 117.288 114.554 0.034 0.000 2.902 722 T HA 0.471 4.822 4.350 0.002 0.000 0.301 722 T C 0.247 175.021 174.700 0.123 0.000 1.012 722 T CA 0.038 62.184 62.100 0.077 0.000 1.151 722 T CB 0.689 69.592 68.868 0.058 0.000 0.946 722 T HN 0.513 nan 8.240 nan 0.000 0.542 723 A N 3.448 126.364 122.820 0.160 0.000 2.469 723 A HA 0.833 5.154 4.320 0.002 0.000 0.299 723 A C -0.731 176.995 177.584 0.237 0.000 1.098 723 A CA -0.912 51.257 52.037 0.220 0.000 0.737 723 A CB 1.155 20.271 19.000 0.193 0.000 1.312 723 A HN 0.768 nan 8.150 nan 0.000 0.414 724 L N 0.680 122.096 121.223 0.322 0.000 2.331 724 L HA 0.449 4.790 4.340 0.002 0.000 0.268 724 L C 0.162 177.178 176.870 0.243 0.000 1.015 724 L CA -0.953 54.044 54.840 0.262 0.000 0.807 724 L CB 1.243 43.493 42.059 0.319 0.000 1.293 724 L HN 0.748 nan 8.230 nan 0.000 0.451 725 E N 1.138 121.440 120.200 0.170 0.000 2.324 725 E HA 0.310 4.661 4.350 0.002 0.000 0.271 725 E C -0.397 176.298 176.600 0.159 0.000 1.028 725 E CA -0.451 56.038 56.400 0.148 0.000 0.890 725 E CB 0.963 30.720 29.700 0.095 0.000 1.004 725 E HN 0.570 nan 8.360 nan 0.000 0.431 726 A N 4.245 127.179 122.820 0.191 0.000 2.511 726 A HA 0.046 4.367 4.320 0.002 0.000 0.242 726 A C 0.201 177.829 177.584 0.074 0.000 1.069 726 A CA 0.052 52.181 52.037 0.154 0.000 0.763 726 A CB 0.119 19.258 19.000 0.233 0.000 1.001 726 A HN 0.552 nan 8.150 nan 0.000 0.498 727 K N 0.761 121.160 120.400 -0.001 0.000 2.098 727 K HA 0.609 4.930 4.320 0.002 0.000 0.257 727 K C 0.434 177.037 176.600 0.005 0.000 0.999 727 K CA 0.719 57.001 56.287 -0.008 0.000 0.924 727 K CB 1.197 33.668 32.500 -0.049 0.000 1.028 727 K HN 1.610 nan 8.250 nan 0.000 0.466 728 G N 1.315 110.124 108.800 0.014 0.000 2.712 728 G HA2 -0.172 3.789 3.960 0.002 0.000 0.686 728 G HA3 -0.172 3.789 3.960 0.002 0.000 0.686 728 G C 0.250 175.176 174.900 0.042 0.000 1.181 728 G CA -0.378 44.737 45.100 0.025 0.000 0.762 728 G HN 0.557 nan 8.290 nan 0.000 0.641 729 K N 0.674 121.096 120.400 0.038 0.000 2.001 729 K HA -0.166 4.155 4.320 0.002 0.000 0.214 729 K C 2.157 178.791 176.600 0.058 0.000 1.050 729 K CA 2.487 58.798 56.287 0.040 0.000 0.934 729 K CB -0.161 32.358 32.500 0.032 0.000 0.718 729 K HN 0.610 nan 8.250 nan 0.000 0.443 730 E N 0.551 120.791 120.200 0.066 0.000 2.338 730 E HA -0.064 4.287 4.350 0.002 0.000 0.197 730 E C 1.283 177.973 176.600 0.149 0.000 1.007 730 E CA 0.609 57.062 56.400 0.088 0.000 0.849 730 E CB 0.021 29.763 29.700 0.071 0.000 0.774 730 E HN 0.352 nan 8.360 nan 0.000 0.506 731 L N 0.331 121.647 121.223 0.154 0.000 2.741 731 L HA 0.180 4.521 4.340 0.002 0.000 0.237 731 L C 1.201 178.248 176.870 0.296 0.000 1.178 731 L CA -0.335 54.675 54.840 0.282 0.000 0.973 731 L CB -0.081 42.069 42.059 0.153 0.000 1.255 731 L HN -0.027 nan 8.230 nan 0.000 0.498 732 K N 1.524 122.011 120.400 0.145 0.000 2.303 732 K HA -0.286 4.035 4.320 0.002 0.000 0.223 732 K C 1.623 178.221 176.600 -0.004 0.000 0.745 732 K CA 2.333 58.649 56.287 0.047 0.000 0.940 732 K CB -0.991 31.515 32.500 0.010 0.000 0.518 732 K HN 0.465 nan 8.250 nan 0.000 0.861 733 G N -0.108 108.608 108.800 -0.140 0.000 3.026 733 G HA2 0.032 3.993 3.960 0.002 0.000 0.208 733 G HA3 0.032 3.993 3.960 0.002 0.000 0.208 733 G C 0.196 175.010 174.900 -0.143 0.000 1.169 733 G CA -0.140 44.874 45.100 -0.143 0.000 0.788 733 G HN 0.219 nan 8.290 nan 0.000 0.533 734 Y N 0.642 120.963 120.300 0.034 0.000 2.426 734 Y HA 0.288 4.839 4.550 0.002 0.000 0.344 734 Y C 0.815 176.770 175.900 0.093 0.000 1.256 734 Y CA -0.128 58.000 58.100 0.047 0.000 1.451 734 Y CB 0.824 39.298 38.460 0.022 0.000 1.342 734 Y HN -0.191 nan 8.280 nan 0.000 0.600 735 K N 2.289 122.874 120.400 0.308 0.000 2.182 735 K HA 0.330 4.651 4.320 0.002 0.000 0.262 735 K C -1.470 175.318 176.600 0.314 0.000 0.957 735 K CA -0.698 55.749 56.287 0.267 0.000 0.842 735 K CB 1.751 34.384 32.500 0.222 0.000 1.099 735 K HN 0.522 nan 8.250 nan 0.000 0.438 736 F N 2.102 122.151 119.950 0.164 0.000 2.495 736 F HA 0.522 5.050 4.527 0.002 0.000 0.327 736 F C -0.319 175.552 175.800 0.118 0.000 1.103 736 F CA -0.751 57.334 58.000 0.141 0.000 0.949 736 F CB 1.482 40.584 39.000 0.171 0.000 1.142 736 F HN 0.457 nan 8.300 nan 0.000 0.457 737 R N 6.623 126.652 120.500 -0.785 0.000 2.584 737 R HA 0.472 4.813 4.340 0.002 0.000 0.276 737 R C -2.130 173.322 176.300 -1.413 0.000 1.046 737 R CA -0.748 54.804 56.100 -0.913 0.000 0.906 737 R CB 1.456 31.405 30.300 -0.584 0.000 1.215 737 R HN 0.631 nan 8.270 nan 0.000 0.449 738 I N 4.101 123.436 120.570 -2.058 0.000 2.297 738 I HA 0.167 4.338 4.170 0.002 0.000 0.291 738 I C -0.158 175.354 176.117 -1.008 0.000 1.033 738 I CA -0.254 60.157 61.300 -1.481 0.000 1.253 738 I CB 1.114 38.163 38.000 -1.585 0.000 1.396 738 I HN 0.595 nan 8.210 nan 0.000 0.476 739 Q N 6.855 126.316 119.800 -0.565 0.000 2.303 739 Q HA 0.397 4.738 4.340 0.002 0.000 0.257 739 Q C -0.884 175.008 176.000 -0.180 0.000 0.941 739 Q CA -0.337 55.280 55.803 -0.309 0.000 0.931 739 Q CB 1.007 29.650 28.738 -0.159 0.000 1.215 739 Q HN 0.360 nan 8.270 nan 0.000 0.437 740 I N 3.899 124.403 120.570 -0.109 0.000 2.365 740 I HA 0.190 4.361 4.170 0.002 0.000 0.291 740 I C 0.178 176.283 176.117 -0.021 0.000 1.004 740 I CA -0.210 61.060 61.300 -0.048 0.000 1.311 740 I CB 0.856 38.850 38.000 -0.010 0.000 1.401 740 I HN 0.769 nan 8.210 nan 0.000 0.491 741 N N 3.884 122.575 118.700 -0.016 0.000 2.602 741 N HA 0.067 4.808 4.740 0.002 0.000 0.238 741 N C 1.221 176.704 175.510 -0.045 0.000 1.084 741 N CA -0.140 52.892 53.050 -0.030 0.000 0.952 741 N CB 0.633 39.103 38.487 -0.028 0.000 1.244 741 N HN 0.718 nan 8.380 nan 0.000 0.512 742 T N 0.799 115.332 114.554 -0.034 0.000 3.023 742 T HA -0.034 4.317 4.350 0.002 0.000 0.266 742 T C 1.571 176.243 174.700 -0.047 0.000 1.093 742 T CA 0.527 62.611 62.100 -0.027 0.000 1.129 742 T CB -0.050 68.816 68.868 -0.004 0.000 0.899 742 T HN 0.415 nan 8.240 nan 0.000 0.491 743 L N 0.388 121.565 121.223 -0.077 0.000 2.307 743 L HA 0.168 4.509 4.340 0.002 0.000 0.211 743 L C 2.105 178.886 176.870 -0.148 0.000 1.099 743 L CA 0.830 55.613 54.840 -0.094 0.000 0.816 743 L CB -0.257 41.745 42.059 -0.095 0.000 0.952 743 L HN 0.174 nan 8.230 nan 0.000 0.455 744 D N -0.565 119.701 120.400 -0.222 0.000 2.354 744 D HA -0.013 4.628 4.640 0.002 0.000 0.209 744 D C 0.768 176.998 176.300 -0.117 0.000 1.015 744 D CA 0.162 54.000 54.000 -0.270 0.000 0.867 744 D CB 0.149 40.563 40.800 -0.643 0.000 0.933 744 D HN 0.211 nan 8.370 nan 0.000 0.520 745 C N 1.470 120.721 119.300 -0.083 0.000 2.611 745 C HA -0.012 4.449 4.460 0.002 0.000 0.416 745 C C 1.632 176.552 174.990 -0.115 0.000 1.366 745 C CA -0.016 58.967 59.018 -0.058 0.000 1.761 745 C CB -0.262 27.459 27.740 -0.032 0.000 2.619 745 C HN 0.199 nan 8.230 nan 0.000 0.606 746 M N 4.173 123.678 119.600 -0.159 0.000 2.333 746 M HA 0.200 4.681 4.480 0.002 0.000 0.257 746 M C 1.711 177.957 176.300 -0.089 0.000 1.078 746 M CA 1.042 56.220 55.300 -0.204 0.000 1.005 746 M CB -0.753 31.584 32.600 -0.438 0.000 1.444 746 M HN 1.178 nan 8.290 nan 0.000 0.496 747 G N 1.060 109.831 108.800 -0.048 0.000 2.147 747 G HA2 -0.318 3.643 3.960 0.002 0.000 0.244 747 G HA3 -0.318 3.643 3.960 0.002 0.000 0.244 747 G C 1.041 175.938 174.900 -0.005 0.000 1.005 747 G CA 0.539 45.629 45.100 -0.017 0.000 0.713 747 G HN 0.638 nan 8.290 nan 0.000 0.515 748 C N -1.473 117.827 119.300 -0.000 0.000 2.435 748 C HA 0.445 4.906 4.460 0.002 0.000 0.279 748 C C 2.694 177.693 174.990 0.014 0.000 1.321 748 C CA 1.317 60.342 59.018 0.012 0.000 1.752 748 C CB -0.914 26.841 27.740 0.025 0.000 1.959 748 C HN 2.456 nan 8.230 nan 0.000 0.500 749 G N 1.152 109.962 108.800 0.016 0.000 2.143 749 G HA2 -0.335 3.626 3.960 0.002 0.000 0.249 749 G HA3 -0.335 3.626 3.960 0.002 0.000 0.249 749 G C 0.440 175.353 174.900 0.021 0.000 0.981 749 G CA 0.747 45.859 45.100 0.019 0.000 0.665 749 G HN 0.629 nan 8.290 nan 0.000 0.528 750 N N -0.140 118.571 118.700 0.019 0.000 2.104 750 N HA -0.177 4.564 4.740 0.002 0.000 0.190 750 N C 2.721 178.243 175.510 0.020 0.000 1.024 750 N CA 2.603 55.663 53.050 0.017 0.000 0.853 750 N CB -0.523 37.968 38.487 0.008 0.000 1.008 750 N HN 0.991 nan 8.380 nan 0.000 0.424 751 C N 0.007 119.321 119.300 0.024 0.000 2.393 751 C HA 0.015 4.476 4.460 0.002 0.000 0.276 751 C C 2.718 177.731 174.990 0.039 0.000 1.215 751 C CA 0.562 59.599 59.018 0.031 0.000 1.743 751 C CB -1.453 26.306 27.740 0.032 0.000 2.044 751 C HN 0.390 nan 8.230 nan 0.000 0.464 752 A N 1.026 123.870 122.820 0.040 0.000 1.972 752 A HA -0.157 4.164 4.320 0.002 0.000 0.219 752 A C 1.896 179.500 177.584 0.033 0.000 1.169 752 A CA 2.212 54.275 52.037 0.043 0.000 0.635 752 A CB -0.905 18.119 19.000 0.040 0.000 0.810 752 A HN 0.680 nan 8.150 nan 0.000 0.446 753 D N -0.836 119.580 120.400 0.027 0.000 2.144 753 D HA -0.087 4.554 4.640 0.002 0.000 0.200 753 D C 1.426 177.739 176.300 0.020 0.000 0.978 753 D CA 0.983 54.997 54.000 0.022 0.000 0.833 753 D CB -0.076 40.736 40.800 0.021 0.000 0.961 753 D HN 0.304 nan 8.370 nan 0.000 0.470 754 I N 0.122 120.705 120.570 0.020 0.000 3.226 754 I HA 0.063 4.234 4.170 0.002 0.000 0.277 754 I C 0.373 176.499 176.117 0.015 0.000 1.243 754 I CA 0.007 61.315 61.300 0.013 0.000 1.459 754 I CB -0.140 37.866 38.000 0.009 0.000 1.093 754 I HN 0.130 nan 8.210 nan 0.000 0.453 755 C N 3.832 123.150 119.300 0.030 0.000 2.519 755 C HA -0.013 4.448 4.460 0.002 0.000 0.402 755 C C -0.441 174.567 174.990 0.029 0.000 1.475 755 C CA -1.050 57.994 59.018 0.044 0.000 1.504 755 C CB -0.120 27.659 27.740 0.065 0.000 2.454 755 C HN 0.273 nan 8.230 nan 0.000 0.615 756 P HA -0.017 nan 4.420 nan 0.000 0.214 756 P C -1.766 175.539 177.300 0.008 0.000 1.163 756 P CA 1.190 64.294 63.100 0.007 0.000 0.883 756 P CB -1.148 30.549 31.700 -0.004 0.000 0.788 757 P HA -0.022 nan 4.420 nan 0.000 0.265 757 P C 0.815 178.118 177.300 0.006 0.000 1.193 757 P CA 0.420 63.525 63.100 0.008 0.000 0.765 757 P CB 0.770 32.476 31.700 0.010 0.000 0.823 758 K N 1.357 121.757 120.400 0.001 0.000 2.044 758 K HA -0.146 4.175 4.320 0.002 0.000 0.210 758 K C 0.496 177.096 176.600 -0.001 0.000 1.049 758 K CA 1.269 57.556 56.287 0.000 0.000 0.927 758 K CB 0.126 32.624 32.500 -0.002 0.000 0.713 758 K HN 0.509 nan 8.250 nan 0.000 0.443 759 E N 2.351 122.548 120.200 -0.005 0.000 1.963 759 E HA 0.055 4.406 4.350 0.002 0.000 0.274 759 E C -0.624 175.971 176.600 -0.008 0.000 1.061 759 E CA -0.052 56.343 56.400 -0.010 0.000 0.847 759 E CB 0.939 30.628 29.700 -0.017 0.000 1.083 759 E HN 0.073 nan 8.360 nan 0.000 0.402 760 K N 0.912 121.312 120.400 -0.001 0.000 2.485 760 K HA 0.042 4.363 4.320 0.002 0.000 0.277 760 K C 0.756 177.360 176.600 0.007 0.000 0.990 760 K CA 0.080 56.374 56.287 0.012 0.000 0.994 760 K CB 0.864 33.376 32.500 0.019 0.000 0.906 760 K HN 0.439 nan 8.250 nan 0.000 0.488 761 A N 3.637 126.480 122.820 0.040 0.000 2.308 761 A HA 0.187 4.508 4.320 0.002 0.000 0.217 761 A C 0.346 178.006 177.584 0.126 0.000 1.216 761 A CA 0.186 52.246 52.037 0.038 0.000 0.864 761 A CB 0.155 19.216 19.000 0.102 0.000 0.902 761 A HN 0.529 nan 8.150 nan 0.000 0.499 762 L N 0.030 121.323 121.223 0.118 0.000 2.436 762 L HA 0.582 4.923 4.340 0.002 0.000 0.268 762 L C -1.472 175.440 176.870 0.070 0.000 0.974 762 L CA -0.722 54.196 54.840 0.130 0.000 0.826 762 L CB 2.571 44.709 42.059 0.132 0.000 1.291 762 L HN -0.126 nan 8.230 nan 0.000 0.406 763 V N 3.770 123.720 119.914 0.060 0.000 2.612 763 V HA 0.391 4.512 4.120 0.002 0.000 0.301 763 V C -0.048 176.068 176.094 0.037 0.000 1.059 763 V CA -0.604 61.718 62.300 0.037 0.000 0.886 763 V CB 2.111 33.947 31.823 0.022 0.000 1.007 763 V HN 0.644 nan 8.190 nan 0.000 0.426 764 M N 4.936 124.554 119.600 0.030 0.000 2.238 764 M HA 0.413 4.894 4.480 0.002 0.000 0.350 764 M C -0.225 176.088 176.300 0.022 0.000 1.321 764 M CA 0.485 55.801 55.300 0.026 0.000 1.097 764 M CB 0.353 32.966 32.600 0.021 0.000 1.713 764 M HN 0.600 nan 8.290 nan 0.000 0.455 765 Q N 2.847 122.660 119.800 0.022 0.000 2.456 765 Q HA 0.587 4.928 4.340 0.002 0.000 0.283 765 Q C -2.524 173.487 176.000 0.019 0.000 1.084 765 Q CA -1.985 53.831 55.803 0.020 0.000 0.801 765 Q CB 1.472 30.224 28.738 0.023 0.000 1.434 765 Q HN 0.327 nan 8.270 nan 0.000 0.419 766 P HA -0.033 nan 4.420 nan 0.000 0.265 766 P C 0.787 178.100 177.300 0.021 0.000 1.193 766 P CA -0.115 62.996 63.100 0.018 0.000 0.765 766 P CB 0.468 32.179 31.700 0.018 0.000 0.823 767 L N 4.592 125.826 121.223 0.019 0.000 2.081 767 L HA -0.213 4.128 4.340 0.002 0.000 0.212 767 L C 1.565 178.451 176.870 0.027 0.000 1.080 767 L CA 2.013 56.865 54.840 0.020 0.000 0.754 767 L CB -1.129 40.941 42.059 0.018 0.000 0.893 767 L HN 0.404 nan 8.230 nan 0.000 0.433 768 D N -2.087 118.332 120.400 0.031 0.000 2.310 768 D HA -0.188 4.453 4.640 0.002 0.000 0.212 768 D C 1.652 177.974 176.300 0.036 0.000 0.965 768 D CA 1.407 55.430 54.000 0.038 0.000 0.879 768 D CB -0.523 40.303 40.800 0.044 0.000 0.921 768 D HN 0.583 nan 8.370 nan 0.000 0.510 769 T N -2.875 111.697 114.554 0.031 0.000 3.100 769 T HA 0.016 4.367 4.350 0.002 0.000 0.253 769 T C 1.630 176.348 174.700 0.030 0.000 1.118 769 T CA 0.288 62.406 62.100 0.029 0.000 1.058 769 T CB 0.482 69.365 68.868 0.025 0.000 0.953 769 T HN -0.043 nan 8.240 nan 0.000 0.515 770 Q N 0.899 120.717 119.800 0.030 0.000 2.391 770 Q HA 0.203 4.544 4.340 0.002 0.000 0.243 770 Q C 2.491 178.510 176.000 0.032 0.000 0.874 770 Q CA 0.359 56.181 55.803 0.032 0.000 0.950 770 Q CB 0.078 28.834 28.738 0.032 0.000 1.103 770 Q HN 0.735 nan 8.270 nan 0.000 0.544 771 R N 1.022 121.539 120.500 0.029 0.000 2.096 771 R HA -0.102 4.239 4.340 0.002 0.000 0.235 771 R C 0.957 177.275 176.300 0.030 0.000 1.127 771 R CA 1.573 57.689 56.100 0.026 0.000 0.968 771 R CB -0.348 29.967 30.300 0.025 0.000 0.861 771 R HN -0.013 nan 8.270 nan 0.000 0.440 772 D N 1.448 121.867 120.400 0.032 0.000 2.123 772 D HA -0.116 4.525 4.640 0.002 0.000 0.196 772 D C 1.954 178.275 176.300 0.034 0.000 0.992 772 D CA 1.920 55.939 54.000 0.031 0.000 0.833 772 D CB -0.154 40.664 40.800 0.029 0.000 0.954 772 D HN 0.462 nan 8.370 nan 0.000 0.455 773 A N 0.448 123.292 122.820 0.039 0.000 1.935 773 A HA -0.082 4.239 4.320 0.002 0.000 0.214 773 A C 2.029 179.650 177.584 0.061 0.000 1.178 773 A CA 0.770 52.836 52.037 0.048 0.000 0.640 773 A CB -0.094 18.935 19.000 0.048 0.000 0.825 773 A HN 0.005 nan 8.150 nan 0.000 0.447 774 Q N -0.180 119.652 119.800 0.053 0.000 2.331 774 Q HA 0.028 4.369 4.340 0.002 0.000 0.203 774 Q C 2.154 178.189 176.000 0.059 0.000 0.944 774 Q CA 0.950 56.788 55.803 0.059 0.000 0.892 774 Q CB -0.630 28.134 28.738 0.043 0.000 0.983 774 Q HN 0.452 nan 8.270 nan 0.000 0.482 775 V N 2.161 122.101 119.914 0.043 0.000 2.295 775 V HA -0.175 3.946 4.120 0.002 0.000 0.246 775 V C -0.752 175.375 176.094 0.054 0.000 1.049 775 V CA 1.982 64.303 62.300 0.034 0.000 1.024 775 V CB -1.603 30.232 31.823 0.020 0.000 0.648 775 V HN 0.235 nan 8.190 nan 0.000 0.447 776 P HA -0.091 nan 4.420 nan 0.000 0.221 776 P C 1.152 178.525 177.300 0.122 0.000 1.150 776 P CA 1.386 64.529 63.100 0.072 0.000 0.800 776 P CB -0.220 31.510 31.700 0.050 0.000 0.787 777 N N -0.530 118.267 118.700 0.160 0.000 2.171 777 N HA -0.069 4.672 4.740 0.002 0.000 0.184 777 N C 1.735 177.449 175.510 0.340 0.000 1.021 777 N CA 0.250 53.486 53.050 0.309 0.000 0.854 777 N CB -0.394 38.277 38.487 0.308 0.000 0.994 777 N HN 0.017 nan 8.380 nan 0.000 0.426 778 L N 1.523 122.859 121.223 0.189 0.000 2.109 778 L HA -0.089 4.252 4.340 0.002 0.000 0.207 778 L C 1.693 178.632 176.870 0.116 0.000 1.086 778 L CA 1.759 56.681 54.840 0.136 0.000 0.760 778 L CB -0.488 41.605 42.059 0.058 0.000 0.910 778 L HN 0.091 nan 8.230 nan 0.000 0.437 779 E N -0.485 119.775 120.200 0.100 0.000 2.085 779 E HA -0.281 4.070 4.350 0.002 0.000 0.194 779 E C 1.895 178.537 176.600 0.071 0.000 0.994 779 E CA 1.514 57.956 56.400 0.070 0.000 0.801 779 E CB -0.599 29.140 29.700 0.065 0.000 0.743 779 E HN 0.598 nan 8.360 nan 0.000 0.453 780 Y N 0.374 120.655 120.300 -0.032 0.000 2.133 780 Y HA -0.131 4.420 4.550 0.002 0.000 0.287 780 Y C 2.164 177.996 175.900 -0.112 0.000 1.134 780 Y CA 1.726 59.747 58.100 -0.131 0.000 1.133 780 Y CB -0.480 37.807 38.460 -0.288 0.000 0.987 780 Y HN 0.038 nan 8.280 nan 0.000 0.502 781 A N 0.612 123.520 122.820 0.146 0.000 1.948 781 A HA -0.206 4.115 4.320 0.002 0.000 0.220 781 A C 2.319 179.913 177.584 0.016 0.000 1.177 781 A CA 1.929 54.078 52.037 0.187 0.000 0.636 781 A CB -1.499 17.697 19.000 0.327 0.000 0.815 781 A HN 0.617 nan 8.150 nan 0.000 0.449 782 A N -0.568 122.254 122.820 0.003 0.000 2.121 782 A HA -0.070 4.251 4.320 0.002 0.000 0.218 782 A C 2.053 179.590 177.584 -0.078 0.000 1.154 782 A CA 1.393 53.418 52.037 -0.020 0.000 0.679 782 A CB -0.318 18.683 19.000 0.003 0.000 0.795 782 A HN 0.535 nan 8.150 nan 0.000 0.458 783 R N -0.663 119.737 120.500 -0.167 0.000 2.297 783 R HA 0.291 4.632 4.340 0.002 0.000 0.197 783 R C -0.200 175.970 176.300 -0.217 0.000 0.943 783 R CA 0.062 56.038 56.100 -0.206 0.000 1.038 783 R CB -0.093 30.022 30.300 -0.308 0.000 0.957 783 R HN 0.462 nan 8.270 nan 0.000 0.484 784 I N 2.572 123.022 120.570 -0.200 0.000 2.416 784 I HA 0.149 4.320 4.170 0.002 0.000 0.288 784 I C -1.990 174.083 176.117 -0.074 0.000 1.051 784 I CA -2.359 58.858 61.300 -0.139 0.000 1.375 784 I CB 0.865 38.817 38.000 -0.081 0.000 1.407 784 I HN -0.234 nan 8.210 nan 0.000 0.516 785 P HA -0.002 nan 4.420 nan 0.000 0.262 785 P C -0.470 176.806 177.300 -0.040 0.000 1.182 785 P CA -0.095 62.981 63.100 -0.041 0.000 0.761 785 P CB 0.298 31.981 31.700 -0.030 0.000 0.795 786 V N 5.652 125.548 119.914 -0.031 0.000 2.508 786 V HA 0.018 4.139 4.120 0.002 0.000 0.281 786 V C 1.094 177.159 176.094 -0.049 0.000 1.041 786 V CA 0.101 62.387 62.300 -0.023 0.000 1.016 786 V CB 0.270 32.093 31.823 0.000 0.000 0.984 786 V HN 0.402 nan 8.190 nan 0.000 0.478 787 K N 3.927 124.258 120.400 -0.115 0.000 2.307 787 K HA 0.119 4.440 4.320 0.002 0.000 0.240 787 K C 1.352 177.890 176.600 -0.104 0.000 1.214 787 K CA 0.136 56.312 56.287 -0.185 0.000 1.149 787 K CB 0.147 32.377 32.500 -0.450 0.000 1.668 787 K HN 0.840 nan 8.250 nan 0.000 0.314 788 S N -0.634 115.049 115.700 -0.028 0.000 2.515 788 S HA -0.054 4.417 4.470 0.002 0.000 0.231 788 S C 1.273 175.878 174.600 0.008 0.000 0.987 788 S CA 0.533 58.741 58.200 0.013 0.000 0.936 788 S CB 0.127 63.331 63.200 0.007 0.000 0.766 788 S HN 0.321 nan 8.310 nan 0.000 0.528 789 E N 0.413 120.604 120.200 -0.014 0.000 2.452 789 E HA 0.276 4.627 4.350 0.002 0.000 0.197 789 E C 1.650 178.248 176.600 -0.004 0.000 1.022 789 E CA 0.006 56.404 56.400 -0.003 0.000 0.890 789 E CB 0.153 29.853 29.700 -0.001 0.000 0.918 789 E HN 0.323 nan 8.360 nan 0.000 0.496 790 V N -0.118 119.771 119.914 -0.042 0.000 2.548 790 V HA 0.060 4.181 4.120 0.002 0.000 0.249 790 V C 0.569 176.671 176.094 0.013 0.000 1.055 790 V CA 1.081 63.355 62.300 -0.044 0.000 1.065 790 V CB 0.149 31.852 31.823 -0.200 0.000 0.681 790 V HN 0.072 nan 8.190 nan 0.000 0.462 791 L N -0.488 120.768 121.223 0.056 0.000 2.309 791 L HA 0.501 4.842 4.340 0.002 0.000 0.261 791 L C -2.476 174.434 176.870 0.067 0.000 1.021 791 L CA -2.098 52.794 54.840 0.086 0.000 0.823 791 L CB 1.835 43.991 42.059 0.162 0.000 1.366 791 L HN -0.060 nan 8.230 nan 0.000 0.423 792 P HA 0.056 nan 4.420 nan 0.000 0.264 792 P C 0.077 177.390 177.300 0.022 0.000 1.193 792 P CA -0.073 63.046 63.100 0.032 0.000 0.763 792 P CB 0.572 32.289 31.700 0.027 0.000 0.810 793 R N 3.447 123.948 120.500 0.002 0.000 2.127 793 R HA -0.180 4.161 4.340 0.002 0.000 0.238 793 R C 0.574 176.838 176.300 -0.060 0.000 1.134 793 R CA 2.048 58.130 56.100 -0.032 0.000 0.975 793 R CB -0.291 29.977 30.300 -0.054 0.000 0.865 793 R HN 0.473 nan 8.270 nan 0.000 0.447 794 D N -0.224 120.147 120.400 -0.048 0.000 2.358 794 D HA 0.017 4.658 4.640 0.002 0.000 0.224 794 D C -0.226 176.071 176.300 -0.005 0.000 1.123 794 D CA -0.260 53.710 54.000 -0.051 0.000 0.833 794 D CB 0.357 41.127 40.800 -0.051 0.000 0.946 794 D HN 0.211 nan 8.370 nan 0.000 0.505 795 S N -1.023 114.682 115.700 0.009 0.000 2.672 795 S HA 0.297 4.768 4.470 0.002 0.000 0.276 795 S C 1.203 175.819 174.600 0.027 0.000 1.207 795 S CA -0.983 57.226 58.200 0.015 0.000 1.002 795 S CB 1.652 64.862 63.200 0.016 0.000 0.998 795 S HN 0.147 nan 8.310 nan 0.000 0.542 796 L N 0.693 121.914 121.223 -0.004 0.000 1.989 796 L HA -0.128 4.213 4.340 0.002 0.000 0.211 796 L C 2.756 179.617 176.870 -0.014 0.000 1.071 796 L CA 1.703 56.526 54.840 -0.029 0.000 0.749 796 L CB -0.398 41.568 42.059 -0.154 0.000 0.890 796 L HN 0.881 nan 8.230 nan 0.000 0.431 797 K N -0.849 119.512 120.400 -0.066 0.000 2.057 797 K HA -0.126 4.195 4.320 0.002 0.000 0.206 797 K C 1.861 178.322 176.600 -0.232 0.000 1.050 797 K CA 1.218 57.415 56.287 -0.150 0.000 0.935 797 K CB -0.263 32.184 32.500 -0.088 0.000 0.715 797 K HN 0.497 nan 8.250 nan 0.000 0.439 798 G N 0.310 109.084 108.800 -0.043 0.000 2.422 798 G HA2 -0.237 3.724 3.960 0.002 0.000 0.218 798 G HA3 -0.237 3.724 3.960 0.002 0.000 0.218 798 G C 1.443 176.345 174.900 0.003 0.000 1.140 798 G CA 1.005 46.141 45.100 0.059 0.000 0.775 798 G HN 0.459 nan 8.290 nan 0.000 0.545 799 S N 0.199 115.887 115.700 -0.020 0.000 2.419 799 S HA -0.113 4.358 4.470 0.002 0.000 0.235 799 S C 1.884 176.431 174.600 -0.089 0.000 1.019 799 S CA 1.280 59.455 58.200 -0.042 0.000 0.982 799 S CB -0.150 63.056 63.200 0.010 0.000 0.789 799 S HN 0.314 nan 8.310 nan 0.000 0.490 800 Q N -0.214 119.491 119.800 -0.158 0.000 2.320 800 Q HA 0.346 4.687 4.340 0.002 0.000 0.201 800 Q C 0.378 176.238 176.000 -0.232 0.000 0.910 800 Q CA 0.166 55.843 55.803 -0.211 0.000 0.946 800 Q CB -0.380 28.225 28.738 -0.222 0.000 1.062 800 Q HN 0.782 nan 8.270 nan 0.000 0.503 801 F N 0.414 120.354 119.950 -0.017 0.000 2.664 801 F HA 0.148 4.676 4.527 0.002 0.000 0.303 801 F C 0.761 176.529 175.800 -0.053 0.000 1.092 801 F CA -0.471 57.507 58.000 -0.036 0.000 1.305 801 F CB 0.885 39.862 39.000 -0.039 0.000 1.054 801 F HN -0.108 nan 8.300 nan 0.000 0.565 802 Q N 1.175 121.020 119.800 0.076 0.000 2.222 802 Q HA 0.200 4.541 4.340 0.002 0.000 0.252 802 Q C -0.198 175.787 176.000 -0.026 0.000 0.926 802 Q CA -0.339 55.468 55.803 0.007 0.000 0.899 802 Q CB 1.171 29.880 28.738 -0.048 0.000 1.250 802 Q HN 0.348 nan 8.270 nan 0.000 0.441 803 E N 3.489 123.669 120.200 -0.034 0.000 2.351 803 E HA 0.113 4.464 4.350 0.002 0.000 0.266 803 E C -2.067 174.480 176.600 -0.089 0.000 1.031 803 E CA -1.497 54.870 56.400 -0.055 0.000 0.911 803 E CB 0.201 29.872 29.700 -0.047 0.000 0.986 803 E HN 0.200 nan 8.360 nan 0.000 0.446 804 P HA 0.028 nan 4.420 nan 0.000 0.276 804 P C -0.312 176.890 177.300 -0.163 0.000 1.230 804 P CA -0.268 62.735 63.100 -0.161 0.000 0.776 804 P CB 0.726 32.303 31.700 -0.204 0.000 0.888 805 L N 2.894 124.038 121.223 -0.132 0.000 2.965 805 L HA 0.385 4.726 4.340 0.002 0.000 0.254 805 L C 0.338 177.126 176.870 -0.137 0.000 1.220 805 L CA 0.471 55.257 54.840 -0.091 0.000 1.023 805 L CB -0.496 41.562 42.059 -0.001 0.000 1.355 805 L HN 0.431 nan 8.230 nan 0.000 0.545 806 M N 0.884 120.315 119.600 -0.282 0.000 2.215 806 M HA 0.383 4.864 4.480 0.002 0.000 0.251 806 M C -1.623 174.394 176.300 -0.471 0.000 0.987 806 M CA 0.141 55.160 55.300 -0.470 0.000 1.025 806 M CB 1.473 33.664 32.600 -0.681 0.000 2.064 806 M HN 0.172 nan 8.290 nan 0.000 0.473 807 E N 4.036 123.913 120.200 -0.539 0.000 2.367 807 E HA 0.573 4.924 4.350 0.002 0.000 0.273 807 E C -0.859 175.402 176.600 -0.565 0.000 0.903 807 E CA -0.880 55.046 56.400 -0.790 0.000 0.764 807 E CB 1.867 30.654 29.700 -1.522 0.000 1.252 807 E HN 0.671 nan 8.360 nan 0.000 0.446 808 F N 0.142 120.059 119.950 -0.055 0.000 3.027 808 F HA -0.274 4.253 4.527 0.001 0.000 0.276 808 F C 0.808 176.658 175.800 0.083 0.000 0.967 808 F CA 0.140 58.169 58.000 0.048 0.000 0.929 808 F CB -1.791 37.211 39.000 0.004 0.000 0.873 808 F HN 0.393 nan 8.300 nan 0.000 0.787 809 S N 0.459 116.250 115.700 0.151 0.000 2.661 809 S HA 0.602 5.073 4.470 0.002 0.000 0.265 809 S C 1.302 176.045 174.600 0.239 0.000 1.225 809 S CA -0.178 58.102 58.200 0.133 0.000 0.986 809 S CB 1.623 64.821 63.200 -0.002 0.000 1.008 809 S HN 0.441 nan 8.310 nan 0.000 0.565 810 G N -0.541 108.410 108.800 0.251 0.000 3.181 810 G HA2 0.465 4.426 3.960 0.002 0.000 0.219 810 G HA3 0.465 4.426 3.960 0.002 0.000 0.219 810 G C 0.497 175.556 174.900 0.265 0.000 1.182 810 G CA 0.043 45.294 45.100 0.251 0.000 0.791 810 G HN 1.105 nan 8.290 nan 0.000 0.537 811 A N -0.413 122.532 122.820 0.207 0.000 2.507 811 A HA 0.360 4.681 4.320 0.002 0.000 0.235 811 A C 0.989 178.689 177.584 0.194 0.000 1.070 811 A CA -0.234 51.850 52.037 0.078 0.000 0.768 811 A CB -0.057 18.650 19.000 -0.487 0.000 1.011 811 A HN 0.362 nan 8.150 nan 0.000 0.502 812 C N 0.985 120.368 119.300 0.138 0.000 2.741 812 C HA 0.283 4.744 4.460 0.002 0.000 0.403 812 C C 1.306 176.400 174.990 0.174 0.000 1.282 812 C CA -0.330 58.764 59.018 0.127 0.000 2.053 812 C CB -0.440 27.351 27.740 0.084 0.000 2.731 812 C HN 0.844 nan 8.230 nan 0.000 0.680 813 S N 1.085 116.842 115.700 0.095 0.000 2.537 813 S HA 0.403 4.874 4.470 0.002 0.000 0.286 813 S C 1.191 175.839 174.600 0.079 0.000 1.299 813 S CA 0.536 58.781 58.200 0.075 0.000 1.067 813 S CB 0.251 63.452 63.200 0.001 0.000 0.864 813 S HN 1.643 nan 8.310 nan 0.000 0.494 814 G N 1.001 109.856 108.800 0.092 0.000 2.162 814 G HA2 -0.314 3.647 3.960 0.002 0.000 0.260 814 G HA3 -0.314 3.647 3.960 0.002 0.000 0.260 814 G C 0.432 175.335 174.900 0.005 0.000 0.976 814 G CA -0.110 45.012 45.100 0.037 0.000 0.655 814 G HN 1.036 nan 8.290 nan 0.000 0.533 815 C N 1.223 120.520 119.300 -0.006 0.000 2.502 815 C HA 0.433 4.894 4.460 0.002 0.000 0.404 815 C C 2.239 177.182 174.990 -0.077 0.000 1.409 815 C CA 1.178 60.162 59.018 -0.055 0.000 1.648 815 C CB -0.115 27.538 27.740 -0.146 0.000 2.571 815 C HN 1.088 nan 8.230 nan 0.000 0.601 816 G N 3.379 112.160 108.800 -0.032 0.000 2.813 816 G HA2 -0.008 3.953 3.960 0.002 0.000 0.209 816 G HA3 -0.008 3.953 3.960 0.002 0.000 0.209 816 G C 1.310 176.267 174.900 0.095 0.000 1.150 816 G CA 0.399 45.498 45.100 -0.002 0.000 0.785 816 G HN 0.918 nan 8.290 nan 0.000 0.535 817 E N 0.465 120.709 120.200 0.074 0.000 2.042 817 E HA -0.088 4.263 4.350 0.002 0.000 0.189 817 E C 2.819 179.477 176.600 0.097 0.000 0.974 817 E CA 1.364 57.888 56.400 0.207 0.000 0.806 817 E CB -0.284 29.628 29.700 0.354 0.000 0.769 817 E HN 0.470 nan 8.360 nan 0.000 0.451 818 T N -0.255 114.128 114.554 -0.286 0.000 2.881 818 T HA -0.067 4.284 4.350 0.002 0.000 0.270 818 T C -1.198 173.303 174.700 -0.332 0.000 1.068 818 T CA 0.556 62.343 62.100 -0.522 0.000 1.131 818 T CB -1.265 67.035 68.868 -0.948 0.000 0.871 818 T HN -0.019 nan 8.240 nan 0.000 0.479 819 P HA -0.042 nan 4.420 nan 0.000 0.216 819 P C 0.878 178.012 177.300 -0.278 0.000 1.153 819 P CA 1.018 63.930 63.100 -0.314 0.000 0.848 819 P CB -0.230 31.249 31.700 -0.368 0.000 0.787 820 Y N -0.676 119.541 120.300 -0.138 0.000 2.145 820 Y HA -0.177 4.374 4.550 0.002 0.000 0.286 820 Y C 2.455 178.288 175.900 -0.111 0.000 1.145 820 Y CA 1.112 59.156 58.100 -0.095 0.000 1.148 820 Y CB -1.326 37.162 38.460 0.048 0.000 0.981 820 Y HN -0.172 nan 8.280 nan 0.000 0.507 821 V N 0.482 120.429 119.914 0.054 0.000 2.358 821 V HA -0.244 3.877 4.120 0.002 0.000 0.246 821 V C 2.339 178.409 176.094 -0.040 0.000 1.047 821 V CA 2.099 64.394 62.300 -0.008 0.000 1.035 821 V CB -0.552 31.394 31.823 0.206 0.000 0.658 821 V HN 0.399 nan 8.190 nan 0.000 0.452 822 R N 0.275 120.692 120.500 -0.139 0.000 2.096 822 R HA -0.169 4.172 4.340 0.002 0.000 0.240 822 R C 2.374 178.550 176.300 -0.206 0.000 1.139 822 R CA 2.544 58.523 56.100 -0.202 0.000 0.952 822 R CB -0.723 29.413 30.300 -0.273 0.000 0.854 822 R HN 0.604 nan 8.270 nan 0.000 0.436 823 V N 0.331 120.102 119.914 -0.237 0.000 2.515 823 V HA -0.120 4.000 4.120 0.002 0.000 0.250 823 V C 2.022 177.968 176.094 -0.247 0.000 1.058 823 V CA 1.592 63.711 62.300 -0.301 0.000 1.064 823 V CB -0.273 31.229 31.823 -0.536 0.000 0.675 823 V HN 0.383 nan 8.190 nan 0.000 0.461 824 I N 1.897 122.361 120.570 -0.177 0.000 2.208 824 I HA -0.229 3.942 4.170 0.002 0.000 0.245 824 I C 2.824 178.843 176.117 -0.164 0.000 1.097 824 I CA 2.216 63.384 61.300 -0.219 0.000 1.363 824 I CB -0.793 37.025 38.000 -0.304 0.000 1.051 824 I HN 0.597 nan 8.210 nan 0.000 0.413 825 T N -1.811 112.689 114.554 -0.091 0.000 2.867 825 T HA -0.209 4.142 4.350 0.002 0.000 0.268 825 T C 1.738 176.369 174.700 -0.114 0.000 1.057 825 T CA 1.024 63.096 62.100 -0.047 0.000 1.136 825 T CB -0.373 68.500 68.868 0.008 0.000 0.874 825 T HN 0.407 nan 8.240 nan 0.000 0.466 826 Q N 0.029 119.722 119.800 -0.179 0.000 2.224 826 Q HA 0.091 4.432 4.340 0.002 0.000 0.203 826 Q C 1.862 177.711 176.000 -0.251 0.000 0.970 826 Q CA 0.932 56.620 55.803 -0.191 0.000 0.865 826 Q CB -0.169 28.444 28.738 -0.208 0.000 0.922 826 Q HN 0.417 nan 8.270 nan 0.000 0.445 827 L N -2.301 118.673 121.223 -0.416 0.000 2.357 827 L HA 0.081 4.422 4.340 0.002 0.000 0.211 827 L C 0.869 177.275 176.870 -0.773 0.000 1.075 827 L CA 1.308 55.720 54.840 -0.714 0.000 0.830 827 L CB 0.411 41.776 42.059 -1.157 0.000 0.996 827 L HN 0.134 nan 8.230 nan 0.000 0.467 828 F N -2.884 117.047 119.950 -0.031 0.000 2.925 828 F HA 0.287 4.815 4.527 0.002 0.000 0.355 828 F C 2.077 177.880 175.800 0.005 0.000 1.073 828 F CA 0.182 58.193 58.000 0.019 0.000 1.127 828 F CB -0.401 38.633 39.000 0.058 0.000 1.123 828 F HN -0.086 nan 8.300 nan 0.000 0.551 829 G N 1.538 110.394 108.800 0.094 0.000 2.547 829 G HA2 -0.341 3.620 3.960 0.002 0.000 0.221 829 G HA3 -0.341 3.620 3.960 0.002 0.000 0.221 829 G C 1.629 176.566 174.900 0.062 0.000 1.140 829 G CA 1.629 46.770 45.100 0.070 0.000 0.760 829 G HN 0.436 nan 8.290 nan 0.000 0.583 830 E N 1.413 121.646 120.200 0.055 0.000 2.409 830 E HA -0.161 4.190 4.350 0.002 0.000 0.198 830 E C 1.738 178.367 176.600 0.047 0.000 1.024 830 E CA 0.859 57.282 56.400 0.039 0.000 0.861 830 E CB -0.253 29.470 29.700 0.037 0.000 0.788 830 E HN 0.689 nan 8.360 nan 0.000 0.521 831 R N 0.752 121.308 120.500 0.095 0.000 2.600 831 R HA 0.370 4.711 4.340 0.002 0.000 0.392 831 R C 0.770 177.147 176.300 0.128 0.000 1.032 831 R CA -0.234 55.930 56.100 0.106 0.000 1.139 831 R CB -0.159 30.241 30.300 0.167 0.000 1.400 831 R HN 0.126 nan 8.270 nan 0.000 0.566 832 M N -0.560 119.092 119.600 0.087 0.000 2.472 832 M HA 0.542 5.023 4.480 0.002 0.000 0.331 832 M C -1.335 174.950 176.300 -0.025 0.000 1.170 832 M CA -0.640 54.751 55.300 0.152 0.000 1.009 832 M CB 1.317 34.020 32.600 0.173 0.000 1.672 832 M HN -0.265 nan 8.290 nan 0.000 0.453 833 F N 2.225 122.196 119.950 0.034 0.000 2.450 833 F HA 0.664 5.191 4.527 0.002 0.000 0.332 833 F C -0.315 175.408 175.800 -0.128 0.000 1.093 833 F CA -0.573 57.388 58.000 -0.064 0.000 1.003 833 F CB 1.660 40.603 39.000 -0.095 0.000 1.151 833 F HN 0.475 nan 8.300 nan 0.000 0.474 834 I N 2.628 123.129 120.570 -0.116 0.000 2.436 834 I HA 0.511 4.682 4.170 0.002 0.000 0.289 834 I C -0.627 175.213 176.117 -0.461 0.000 1.010 834 I CA -0.880 60.189 61.300 -0.385 0.000 1.098 834 I CB 1.858 39.457 38.000 -0.668 0.000 1.266 834 I HN 0.651 nan 8.210 nan 0.000 0.434 835 A N 5.839 128.446 122.820 -0.354 0.000 2.341 835 A HA 0.417 4.738 4.320 0.002 0.000 0.326 835 A C -0.514 176.890 177.584 -0.301 0.000 1.402 835 A CA -0.483 51.397 52.037 -0.261 0.000 0.957 835 A CB 0.111 19.025 19.000 -0.143 0.000 1.151 835 A HN 0.694 nan 8.150 nan 0.000 0.533 836 N N 2.224 120.627 118.700 -0.495 0.000 2.425 836 N HA 0.493 5.234 4.740 0.002 0.000 0.268 836 N C 0.115 175.435 175.510 -0.317 0.000 0.991 836 N CA 0.007 52.802 53.050 -0.424 0.000 0.931 836 N CB 1.721 39.828 38.487 -0.633 0.000 1.130 836 N HN 0.694 nan 8.380 nan 0.000 0.493 837 A N 2.655 125.265 122.820 -0.350 0.000 2.466 837 A HA 0.209 4.530 4.320 0.002 0.000 0.238 837 A C 0.439 178.013 177.584 -0.016 0.000 1.074 837 A CA 0.078 51.952 52.037 -0.272 0.000 0.774 837 A CB -0.085 18.581 19.000 -0.556 0.000 1.015 837 A HN 0.645 nan 8.150 nan 0.000 0.498 838 T N 0.990 115.621 114.554 0.129 0.000 2.928 838 T HA 0.517 4.868 4.350 0.002 0.000 0.305 838 T C 0.680 175.391 174.700 0.017 0.000 1.035 838 T CA 0.908 63.044 62.100 0.060 0.000 1.145 838 T CB 0.643 69.529 68.868 0.029 0.000 0.963 838 T HN 1.669 nan 8.240 nan 0.000 0.545 839 G N 0.128 108.899 108.800 -0.048 0.000 2.327 839 G HA2 0.159 4.120 3.960 0.002 0.000 0.291 839 G HA3 0.159 4.120 3.960 0.002 0.000 0.291 839 G C 0.748 175.622 174.900 -0.045 0.000 1.290 839 G CA -0.312 44.767 45.100 -0.035 0.000 0.857 839 G HN 0.664 nan 8.290 nan 0.000 0.520 840 C N 0.494 119.796 119.300 0.004 0.000 2.403 840 C HA -0.048 4.413 4.460 0.002 0.000 0.279 840 C C 3.324 178.091 174.990 -0.372 0.000 1.269 840 C CA 2.403 61.424 59.018 0.005 0.000 1.774 840 C CB -1.276 26.589 27.740 0.208 0.000 1.993 840 C HN 0.957 nan 8.230 nan 0.000 0.496 841 S N 1.047 116.520 115.700 -0.378 0.000 2.453 841 S HA -0.115 4.356 4.470 0.002 0.000 0.231 841 S C 1.694 175.854 174.600 -0.734 0.000 1.005 841 S CA 1.461 59.063 58.200 -0.997 0.000 0.949 841 S CB -0.574 62.466 63.200 -0.266 0.000 0.774 841 S HN 0.788 nan 8.310 nan 0.000 0.510 842 S N 1.145 116.710 115.700 -0.224 0.000 2.470 842 S HA 0.187 4.658 4.470 0.002 0.000 0.225 842 S C 1.693 176.270 174.600 -0.039 0.000 1.006 842 S CA 0.060 58.311 58.200 0.086 0.000 0.934 842 S CB -0.420 62.878 63.200 0.163 0.000 0.778 842 S HN 0.375 nan 8.310 nan 0.000 0.517 843 I N 2.077 122.566 120.570 -0.135 0.000 2.339 843 I HA 0.051 4.222 4.170 0.002 0.000 0.245 843 I C 2.566 178.704 176.117 0.035 0.000 1.096 843 I CA 0.647 61.924 61.300 -0.039 0.000 1.408 843 I CB -1.664 36.338 38.000 0.003 0.000 1.092 843 I HN 0.644 nan 8.210 nan 0.000 0.423 844 W N 1.113 122.462 121.300 0.082 0.000 2.678 844 W HA 0.157 4.819 4.660 0.002 0.000 0.256 844 W C 1.730 178.261 176.519 0.019 0.000 1.280 844 W CA 0.688 58.065 57.345 0.053 0.000 1.345 844 W CB -1.266 28.224 29.460 0.049 0.000 1.118 844 W HN 0.107 nan 8.180 nan 0.000 0.629 845 G N 1.126 109.884 108.800 -0.070 0.000 2.430 845 G HA2 0.187 4.148 3.960 0.002 0.000 0.216 845 G HA3 0.187 4.148 3.960 0.002 0.000 0.216 845 G C 0.974 175.652 174.900 -0.369 0.000 1.146 845 G CA 0.998 46.029 45.100 -0.116 0.000 0.793 845 G HN 0.329 nan 8.290 nan 0.000 0.537 846 A N -0.176 122.463 122.820 -0.302 0.000 3.241 846 A HA 0.572 4.893 4.320 0.002 0.000 0.198 846 A C 0.027 177.518 177.584 -0.155 0.000 1.003 846 A CA -0.288 51.549 52.037 -0.333 0.000 1.134 846 A CB -0.017 18.597 19.000 -0.643 0.000 1.289 846 A HN 0.040 nan 8.150 nan 0.000 0.623 847 S N 1.779 117.434 115.700 -0.075 0.000 2.422 847 S HA 0.514 4.985 4.470 0.002 0.000 0.283 847 S C 0.793 175.334 174.600 -0.098 0.000 1.163 847 S CA 0.162 58.334 58.200 -0.048 0.000 1.054 847 S CB 0.868 64.083 63.200 0.025 0.000 0.967 847 S HN 1.172 nan 8.310 nan 0.000 0.499 848 A N 5.436 128.135 122.820 -0.201 0.000 2.546 848 A HA 0.312 4.633 4.320 0.002 0.000 0.243 848 A C -1.047 176.497 177.584 -0.067 0.000 1.063 848 A CA -0.709 51.133 52.037 -0.324 0.000 0.757 848 A CB -0.092 18.615 19.000 -0.488 0.000 0.991 848 A HN 0.638 nan 8.150 nan 0.000 0.503 849 P HA 0.118 nan 4.420 nan 0.000 0.274 849 P C 0.120 177.540 177.300 0.201 0.000 1.352 849 P CA 0.100 63.285 63.100 0.143 0.000 0.947 849 P CB 0.447 32.322 31.700 0.291 0.000 1.437 850 S N 1.402 117.175 115.700 0.123 0.000 2.411 850 S HA 0.496 4.967 4.470 0.002 0.000 0.294 850 S C 0.052 174.721 174.600 0.116 0.000 1.115 850 S CA -0.515 57.793 58.200 0.179 0.000 1.071 850 S CB -0.336 62.967 63.200 0.172 0.000 0.967 850 S HN -0.133 nan 8.310 nan 0.000 0.488 851 M N 8.101 127.799 119.600 0.163 0.000 2.060 851 M HA 0.316 4.797 4.480 0.002 0.000 0.342 851 M C -1.927 174.423 176.300 0.084 0.000 1.031 851 M CA -2.588 52.770 55.300 0.097 0.000 0.981 851 M CB 1.110 33.799 32.600 0.147 0.000 1.376 851 M HN 0.408 nan 8.290 nan 0.000 0.397 852 P HA -0.106 nan 4.420 nan 0.000 0.221 852 P C -0.030 177.175 177.300 -0.159 0.000 1.150 852 P CA 1.057 64.115 63.100 -0.070 0.000 0.800 852 P CB 0.034 31.673 31.700 -0.102 0.000 0.787 853 Y N 1.927 122.173 120.300 -0.090 0.000 2.425 853 Y HA 0.142 4.694 4.550 0.002 0.000 0.331 853 Y C 1.578 177.441 175.900 -0.062 0.000 1.157 853 Y CA 0.321 58.376 58.100 -0.077 0.000 1.372 853 Y CB 0.439 38.846 38.460 -0.089 0.000 1.253 853 Y HN 0.014 nan 8.280 nan 0.000 0.536 854 K N -0.567 119.874 120.400 0.069 0.000 2.469 854 K HA 0.727 5.048 4.320 0.002 0.000 0.268 854 K C -1.022 175.590 176.600 0.021 0.000 1.027 854 K CA -1.057 55.241 56.287 0.019 0.000 0.893 854 K CB 1.534 33.998 32.500 -0.061 0.000 1.460 854 K HN 0.520 nan 8.250 nan 0.000 0.449 855 T N -1.006 113.553 114.554 0.008 0.000 2.927 855 T HA 0.285 4.636 4.350 0.002 0.000 0.281 855 T C 0.287 174.981 174.700 -0.010 0.000 0.998 855 T CA -0.781 61.321 62.100 0.004 0.000 1.019 855 T CB 0.703 69.574 68.868 0.005 0.000 1.061 855 T HN 0.755 nan 8.240 nan 0.000 0.518 856 N N 0.713 119.407 118.700 -0.009 0.000 2.381 856 N HA 0.118 4.859 4.740 0.002 0.000 0.289 856 N C 1.405 176.909 175.510 -0.010 0.000 1.288 856 N CA -0.834 52.207 53.050 -0.016 0.000 0.960 856 N CB 0.171 38.651 38.487 -0.012 0.000 1.116 856 N HN 0.851 nan 8.380 nan 0.000 0.557 857 R N -1.552 118.942 120.500 -0.011 0.000 2.193 857 R HA -0.023 4.318 4.340 0.002 0.000 0.229 857 R C 0.516 176.815 176.300 -0.002 0.000 1.110 857 R CA 0.940 57.036 56.100 -0.007 0.000 0.988 857 R CB -0.470 29.824 30.300 -0.009 0.000 0.871 857 R HN 0.348 nan 8.270 nan 0.000 0.458 858 L N 0.598 121.821 121.223 -0.002 0.000 2.592 858 L HA 0.294 4.635 4.340 0.002 0.000 0.227 858 L C 1.112 177.981 176.870 -0.001 0.000 1.127 858 L CA 1.123 55.963 54.840 0.000 0.000 0.884 858 L CB 0.027 42.088 42.059 0.003 0.000 1.065 858 L HN 0.613 nan 8.230 nan 0.000 0.457 859 G N -0.410 108.390 108.800 -0.001 0.000 2.136 859 G HA2 -0.272 3.689 3.960 0.002 0.000 0.242 859 G HA3 -0.272 3.689 3.960 0.002 0.000 0.242 859 G C 0.354 175.249 174.900 -0.008 0.000 0.989 859 G CA -0.055 45.044 45.100 -0.002 0.000 0.682 859 G HN 0.423 nan 8.290 nan 0.000 0.522 860 Q N -0.531 119.265 119.800 -0.007 0.000 2.235 860 Q HA 0.674 5.015 4.340 0.002 0.000 0.256 860 Q C 0.469 176.465 176.000 -0.007 0.000 0.951 860 Q CA -0.003 55.793 55.803 -0.011 0.000 0.890 860 Q CB 2.126 30.863 28.738 -0.002 0.000 1.279 860 Q HN 0.844 nan 8.270 nan 0.000 0.444 861 G N 1.261 110.051 108.800 -0.017 0.000 2.495 861 G HA2 0.393 4.354 3.960 0.002 0.000 0.294 861 G HA3 0.393 4.354 3.960 0.002 0.000 0.294 861 G C -3.087 171.802 174.900 -0.017 0.000 1.397 861 G CA -1.010 44.093 45.100 0.006 0.000 0.790 861 G HN 0.305 nan 8.290 nan 0.000 0.486 862 P HA 0.418 nan 4.420 nan 0.000 0.267 862 P C -0.213 177.042 177.300 -0.076 0.000 1.205 862 P CA 0.195 63.280 63.100 -0.026 0.000 0.765 862 P CB 1.112 32.842 31.700 0.049 0.000 0.828 863 A N 4.007 126.717 122.820 -0.183 0.000 2.279 863 A HA 0.357 4.678 4.320 0.002 0.000 0.306 863 A C -1.052 176.494 177.584 -0.062 0.000 1.300 863 A CA -0.435 51.506 52.037 -0.160 0.000 0.925 863 A CB -0.317 18.445 19.000 -0.396 0.000 1.152 863 A HN 0.652 nan 8.150 nan 0.000 0.544 864 W N 2.742 123.920 121.300 -0.203 0.000 2.573 864 W HA 0.607 5.268 4.660 0.001 0.000 0.326 864 W C 0.139 176.612 176.519 -0.078 0.000 1.049 864 W CA -0.034 57.169 57.345 -0.237 0.000 1.220 864 W CB 1.938 31.131 29.460 -0.445 0.000 1.373 864 W HN 0.880 nan 8.180 nan 0.000 0.507 865 G N 3.620 112.161 108.800 -0.431 0.000 2.731 865 G HA2 0.261 4.222 3.960 0.002 0.000 0.298 865 G HA3 0.261 4.222 3.960 0.002 0.000 0.298 865 G C -2.093 172.485 174.900 -0.536 0.000 1.424 865 G CA -1.020 43.984 45.100 -0.161 0.000 1.029 865 G HN 0.473 nan 8.290 nan 0.000 0.518 866 N N 1.033 119.499 118.700 -0.390 0.000 2.469 866 N HA 0.417 5.158 4.740 0.002 0.000 0.253 866 N C 0.911 176.233 175.510 -0.313 0.000 0.970 866 N CA -0.068 52.784 53.050 -0.331 0.000 0.940 866 N CB 2.099 40.516 38.487 -0.117 0.000 1.128 866 N HN 0.309 nan 8.380 nan 0.000 0.503 867 S N 3.565 118.902 115.700 -0.604 0.000 2.289 867 S HA 0.424 4.895 4.470 0.002 0.000 0.193 867 S C 0.297 174.714 174.600 -0.306 0.000 1.002 867 S CA 0.405 58.179 58.200 -0.710 0.000 0.951 867 S CB -0.152 62.295 63.200 -1.256 0.000 0.920 867 S HN 0.505 nan 8.310 nan 0.000 0.502 868 L N -1.049 120.043 121.223 -0.219 0.000 2.301 868 L HA 0.474 4.815 4.340 0.002 0.000 0.249 868 L C 0.423 177.351 176.870 0.096 0.000 1.069 868 L CA -0.764 54.055 54.840 -0.035 0.000 0.865 868 L CB 0.753 42.800 42.059 -0.019 0.000 1.467 868 L HN 0.310 nan 8.230 nan 0.000 0.419 869 F N 1.480 121.441 119.950 0.018 0.000 2.128 869 F HA -0.111 4.417 4.527 0.001 0.000 0.295 869 F C 2.347 178.276 175.800 0.216 0.000 1.100 869 F CA 1.936 60.002 58.000 0.110 0.000 1.260 869 F CB -0.068 39.034 39.000 0.170 0.000 1.009 869 F HN 0.657 nan 8.300 nan 0.000 0.476 870 E N -0.013 120.264 120.200 0.127 0.000 2.216 870 E HA -0.163 4.188 4.350 0.002 0.000 0.192 870 E C 0.751 177.441 176.600 0.151 0.000 0.988 870 E CA 1.369 57.796 56.400 0.045 0.000 0.834 870 E CB -0.883 28.820 29.700 0.005 0.000 0.772 870 E HN 0.561 nan 8.360 nan 0.000 0.479 871 D N 0.518 120.991 120.400 0.121 0.000 2.463 871 D HA 0.256 4.897 4.640 0.002 0.000 0.224 871 D C 1.326 177.723 176.300 0.161 0.000 1.174 871 D CA 0.346 54.423 54.000 0.130 0.000 0.829 871 D CB 0.542 41.369 40.800 0.046 0.000 0.993 871 D HN 0.143 nan 8.370 nan 0.000 0.497 872 A N 0.817 123.712 122.820 0.125 0.000 1.933 872 A HA 0.065 4.386 4.320 0.002 0.000 0.218 872 A C 2.349 180.025 177.584 0.153 0.000 1.175 872 A CA 1.777 53.797 52.037 -0.028 0.000 0.628 872 A CB -0.635 18.007 19.000 -0.597 0.000 0.814 872 A HN 0.387 nan 8.150 nan 0.000 0.444 873 A N 0.640 123.690 122.820 0.383 0.000 1.898 873 A HA -0.127 4.194 4.320 0.002 0.000 0.216 873 A C 1.924 179.653 177.584 0.242 0.000 1.181 873 A CA 1.558 53.800 52.037 0.342 0.000 0.620 873 A CB -0.453 18.775 19.000 0.381 0.000 0.819 873 A HN 0.617 nan 8.150 nan 0.000 0.442 874 E N -0.811 119.519 120.200 0.216 0.000 2.110 874 E HA -0.254 4.097 4.350 0.002 0.000 0.193 874 E C 1.862 178.625 176.600 0.272 0.000 0.988 874 E CA 1.579 58.107 56.400 0.213 0.000 0.804 874 E CB -0.796 28.988 29.700 0.141 0.000 0.745 874 E HN 0.717 nan 8.360 nan 0.000 0.458 875 Y N 2.377 122.722 120.300 0.074 0.000 2.200 875 Y HA 0.031 4.582 4.550 0.002 0.000 0.290 875 Y C 2.525 178.430 175.900 0.009 0.000 1.137 875 Y CA 1.505 59.618 58.100 0.022 0.000 1.163 875 Y CB -0.653 37.787 38.460 -0.034 0.000 0.988 875 Y HN 0.071 nan 8.280 nan 0.000 0.518 876 G N -1.021 107.798 108.800 0.032 0.000 2.403 876 G HA2 -0.288 3.673 3.960 0.002 0.000 0.216 876 G HA3 -0.288 3.673 3.960 0.002 0.000 0.216 876 G C 1.644 176.535 174.900 -0.014 0.000 1.154 876 G CA 0.609 45.660 45.100 -0.082 0.000 0.784 876 G HN 0.459 nan 8.290 nan 0.000 0.538 877 F N 2.523 122.442 119.950 -0.052 0.000 2.171 877 F HA 0.033 4.561 4.527 0.002 0.000 0.300 877 F C 2.513 178.266 175.800 -0.078 0.000 1.090 877 F CA 1.337 59.305 58.000 -0.054 0.000 1.293 877 F CB -0.354 38.646 39.000 0.000 0.000 1.013 877 F HN 0.116 nan 8.300 nan 0.000 0.486 878 G N 0.223 109.018 108.800 -0.009 0.000 2.421 878 G HA2 -0.275 3.686 3.960 0.002 0.000 0.216 878 G HA3 -0.275 3.686 3.960 0.002 0.000 0.216 878 G C 1.691 176.452 174.900 -0.231 0.000 1.171 878 G CA 1.024 46.059 45.100 -0.108 0.000 0.775 878 G HN 0.371 nan 8.290 nan 0.000 0.543 879 M N 1.026 120.445 119.600 -0.301 0.000 2.106 879 M HA -0.130 4.351 4.480 0.002 0.000 0.259 879 M C 2.475 178.498 176.300 -0.463 0.000 1.068 879 M CA 1.654 56.690 55.300 -0.440 0.000 1.100 879 M CB -0.492 31.762 32.600 -0.577 0.000 1.351 879 M HN 0.402 nan 8.290 nan 0.000 0.404 880 N N 0.894 119.357 118.700 -0.396 0.000 2.166 880 N HA -0.169 4.572 4.740 0.002 0.000 0.186 880 N C 1.627 176.952 175.510 -0.307 0.000 1.019 880 N CA 1.538 54.383 53.050 -0.343 0.000 0.856 880 N CB -0.124 38.180 38.487 -0.305 0.000 0.993 880 N HN 0.410 nan 8.380 nan 0.000 0.426 881 M N 0.346 119.710 119.600 -0.392 0.000 2.117 881 M HA -0.117 4.364 4.480 0.002 0.000 0.262 881 M C 2.586 178.823 176.300 -0.104 0.000 1.065 881 M CA 1.425 56.554 55.300 -0.285 0.000 1.114 881 M CB -0.351 32.052 32.600 -0.329 0.000 1.361 881 M HN 0.182 nan 8.290 nan 0.000 0.408 882 S N 0.415 116.028 115.700 -0.144 0.000 2.353 882 S HA -0.165 4.306 4.470 0.002 0.000 0.222 882 S C 1.977 176.535 174.600 -0.069 0.000 1.035 882 S CA 1.308 59.452 58.200 -0.093 0.000 1.025 882 S CB -0.030 63.097 63.200 -0.123 0.000 0.902 882 S HN 0.312 nan 8.310 nan 0.000 0.440 883 M N 0.202 119.726 119.600 -0.127 0.000 2.159 883 M HA -0.001 4.480 4.480 0.002 0.000 0.263 883 M C 1.971 178.265 176.300 -0.010 0.000 1.063 883 M CA 1.203 56.457 55.300 -0.076 0.000 1.110 883 M CB -1.572 30.954 32.600 -0.124 0.000 1.374 883 M HN 0.541 nan 8.290 nan 0.000 0.411 884 F N 1.062 120.940 119.950 -0.121 0.000 2.102 884 F HA -0.124 4.403 4.527 0.002 0.000 0.298 884 F C 2.321 178.098 175.800 -0.038 0.000 1.105 884 F CA 1.786 59.736 58.000 -0.083 0.000 1.239 884 F CB -0.253 38.673 39.000 -0.123 0.000 0.991 884 F HN 0.115 nan 8.300 nan 0.000 0.474 885 A N 0.488 123.357 122.820 0.082 0.000 1.898 885 A HA -0.132 4.189 4.320 0.002 0.000 0.216 885 A C 2.290 179.863 177.584 -0.019 0.000 1.181 885 A CA 1.589 53.639 52.037 0.022 0.000 0.620 885 A CB -0.632 18.407 19.000 0.065 0.000 0.819 885 A HN 0.455 nan 8.150 nan 0.000 0.442 886 R N -0.920 119.583 120.500 0.004 0.000 2.093 886 R HA 0.040 4.381 4.340 0.002 0.000 0.224 886 R C 2.337 178.662 176.300 0.041 0.000 1.101 886 R CA 1.133 57.264 56.100 0.051 0.000 0.979 886 R CB -0.175 30.148 30.300 0.039 0.000 0.877 886 R HN 0.439 nan 8.270 nan 0.000 0.441 887 R N -0.505 119.995 120.500 0.000 0.000 2.153 887 R HA 0.013 4.354 4.340 0.002 0.000 0.218 887 R C 1.900 178.213 176.300 0.022 0.000 1.072 887 R CA 1.201 57.337 56.100 0.059 0.000 0.990 887 R CB -0.038 30.313 30.300 0.085 0.000 0.889 887 R HN 0.129 nan 8.270 nan 0.000 0.452 888 T N -0.302 114.154 114.554 -0.163 0.000 2.777 888 T HA -0.179 4.172 4.350 0.002 0.000 0.266 888 T C 1.581 176.287 174.700 0.010 0.000 1.040 888 T CA 1.194 63.181 62.100 -0.189 0.000 1.141 888 T CB -0.255 68.357 68.868 -0.427 0.000 0.868 888 T HN 0.463 nan 8.240 nan 0.000 0.444 889 H N 0.206 119.231 119.070 -0.075 0.000 2.353 889 H HA -0.061 4.496 4.556 0.002 0.000 0.300 889 H C 2.357 177.677 175.328 -0.013 0.000 1.090 889 H CA 1.027 57.053 56.048 -0.036 0.000 1.327 889 H CB -0.100 29.643 29.762 -0.032 0.000 1.383 889 H HN 0.173 nan 8.280 nan 0.000 0.508 890 L N 1.289 122.504 121.223 -0.014 0.000 2.012 890 L HA -0.104 4.237 4.340 0.002 0.000 0.210 890 L C 2.577 179.449 176.870 0.003 0.000 1.073 890 L CA 2.045 56.827 54.840 -0.097 0.000 0.748 890 L CB -1.121 40.892 42.059 -0.077 0.000 0.891 890 L HN 0.337 nan 8.230 nan 0.000 0.431 891 A N -1.087 121.838 122.820 0.176 0.000 2.019 891 A HA -0.190 4.131 4.320 0.002 0.000 0.219 891 A C 1.951 179.606 177.584 0.118 0.000 1.164 891 A CA 1.731 53.930 52.037 0.271 0.000 0.644 891 A CB -0.741 18.399 19.000 0.234 0.000 0.805 891 A HN 0.550 nan 8.150 nan 0.000 0.449 892 D N -0.381 120.067 120.400 0.080 0.000 2.123 892 D HA -0.075 4.566 4.640 0.002 0.000 0.200 892 D C 1.725 178.053 176.300 0.047 0.000 0.976 892 D CA 0.724 54.764 54.000 0.066 0.000 0.831 892 D CB -0.202 40.651 40.800 0.087 0.000 0.974 892 D HN 0.249 nan 8.370 nan 0.000 0.469 893 L N 0.922 122.159 121.223 0.023 0.000 2.093 893 L HA -0.029 4.312 4.340 0.002 0.000 0.208 893 L C 2.344 179.196 176.870 -0.030 0.000 1.085 893 L CA 1.087 55.913 54.840 -0.023 0.000 0.755 893 L CB -1.243 40.752 42.059 -0.107 0.000 0.904 893 L HN -0.067 nan 8.230 nan 0.000 0.435 894 A N -0.721 122.083 122.820 -0.027 0.000 1.877 894 A HA -0.129 4.192 4.320 0.002 0.000 0.216 894 A C 2.496 180.086 177.584 0.010 0.000 1.186 894 A CA 1.768 53.793 52.037 -0.021 0.000 0.620 894 A CB -0.890 18.123 19.000 0.021 0.000 0.822 894 A HN 0.381 nan 8.150 nan 0.000 0.443 895 A N -0.329 122.510 122.820 0.031 0.000 1.908 895 A HA -0.194 4.127 4.320 0.002 0.000 0.218 895 A C 2.129 179.718 177.584 0.008 0.000 1.181 895 A CA 1.967 54.017 52.037 0.021 0.000 0.627 895 A CB -0.444 18.570 19.000 0.024 0.000 0.818 895 A HN 0.547 nan 8.150 nan 0.000 0.445 896 K N -0.562 119.842 120.400 0.007 0.000 2.057 896 K HA -0.017 4.304 4.320 0.002 0.000 0.206 896 K C 2.200 178.797 176.600 -0.005 0.000 1.050 896 K CA 1.025 57.314 56.287 0.003 0.000 0.935 896 K CB -0.285 32.219 32.500 0.007 0.000 0.715 896 K HN 0.437 nan 8.250 nan 0.000 0.439 897 A N 1.081 123.894 122.820 -0.012 0.000 2.070 897 A HA -0.091 4.230 4.320 0.002 0.000 0.220 897 A C 1.927 179.502 177.584 -0.015 0.000 1.159 897 A CA 1.030 53.056 52.037 -0.018 0.000 0.656 897 A CB -0.512 18.469 19.000 -0.031 0.000 0.800 897 A HN 0.182 nan 8.150 nan 0.000 0.453 898 L N -0.974 120.242 121.223 -0.012 0.000 2.275 898 L HA -0.135 4.206 4.340 0.002 0.000 0.215 898 L C 2.118 178.982 176.870 -0.009 0.000 1.119 898 L CA 1.146 55.979 54.840 -0.012 0.000 0.790 898 L CB -0.316 41.737 42.059 -0.010 0.000 0.919 898 L HN 0.455 nan 8.230 nan 0.000 0.443 899 E N -0.640 119.555 120.200 -0.007 0.000 2.478 899 E HA -0.014 4.337 4.350 0.002 0.000 0.194 899 E C 1.180 177.776 176.600 -0.006 0.000 1.045 899 E CA 0.124 56.520 56.400 -0.006 0.000 0.868 899 E CB 0.346 30.043 29.700 -0.004 0.000 0.885 899 E HN 0.457 nan 8.360 nan 0.000 0.505 900 S N 1.231 116.926 115.700 -0.008 0.000 2.625 900 S HA -0.000 4.471 4.470 0.002 0.000 0.262 900 S C 0.775 175.371 174.600 -0.007 0.000 1.223 900 S CA -0.344 57.852 58.200 -0.008 0.000 0.993 900 S CB 0.610 63.805 63.200 -0.010 0.000 1.051 900 S HN 0.100 nan 8.310 nan 0.000 0.562 901 D N -0.154 120.242 120.400 -0.007 0.000 2.434 901 D HA 0.307 4.948 4.640 0.002 0.000 0.232 901 D C 0.680 176.976 176.300 -0.007 0.000 1.166 901 D CA -0.228 53.769 54.000 -0.006 0.000 0.830 901 D CB -0.870 39.927 40.800 -0.005 0.000 0.960 901 D HN 0.696 nan 8.370 nan 0.000 0.497 902 A N 0.814 123.629 122.820 -0.009 0.000 2.492 902 A HA 0.359 4.680 4.320 0.002 0.000 0.236 902 A C 0.937 178.516 177.584 -0.007 0.000 1.078 902 A CA 0.016 52.047 52.037 -0.010 0.000 0.773 902 A CB 0.067 19.058 19.000 -0.015 0.000 1.023 902 A HN 0.455 nan 8.150 nan 0.000 0.504 903 S N 0.826 116.523 115.700 -0.006 0.000 2.584 903 S HA 0.334 4.805 4.470 0.002 0.000 0.270 903 S C 1.369 175.968 174.600 -0.002 0.000 1.346 903 S CA -0.091 58.107 58.200 -0.003 0.000 1.018 903 S CB 0.815 64.014 63.200 -0.001 0.000 0.899 903 S HN 1.485 nan 8.310 nan 0.000 0.542 904 G N 0.767 109.567 108.800 0.001 0.000 2.432 904 G HA2 -0.158 3.803 3.960 0.002 0.000 0.219 904 G HA3 -0.158 3.803 3.960 0.002 0.000 0.219 904 G C 0.896 175.800 174.900 0.008 0.000 1.135 904 G CA 0.737 45.838 45.100 0.003 0.000 0.767 904 G HN 0.766 nan 8.290 nan 0.000 0.550 905 D N 0.068 120.475 120.400 0.011 0.000 2.149 905 D HA -0.042 4.599 4.640 0.002 0.000 0.201 905 D C 2.769 179.080 176.300 0.018 0.000 0.972 905 D CA 0.393 54.404 54.000 0.020 0.000 0.835 905 D CB -0.277 40.535 40.800 0.019 0.000 0.966 905 D HN 0.190 nan 8.370 nan 0.000 0.476 906 V N 1.333 121.250 119.914 0.005 0.000 2.295 906 V HA -0.227 3.894 4.120 0.002 0.000 0.246 906 V C 2.257 178.343 176.094 -0.013 0.000 1.049 906 V CA 1.561 63.856 62.300 -0.008 0.000 1.024 906 V CB -0.327 31.486 31.823 -0.016 0.000 0.648 906 V HN 0.194 nan 8.190 nan 0.000 0.447 907 K N -0.429 119.964 120.400 -0.011 0.000 2.211 907 K HA -0.180 4.141 4.320 0.002 0.000 0.203 907 K C 2.143 178.731 176.600 -0.020 0.000 1.050 907 K CA 1.211 57.488 56.287 -0.017 0.000 0.945 907 K CB -0.134 32.357 32.500 -0.014 0.000 0.732 907 K HN 0.521 nan 8.250 nan 0.000 0.451 908 E N 0.600 120.798 120.200 -0.003 0.000 2.072 908 E HA -0.146 4.205 4.350 0.002 0.000 0.191 908 E C 1.996 178.588 176.600 -0.013 0.000 0.985 908 E CA 0.926 57.326 56.400 0.000 0.000 0.801 908 E CB 0.032 29.756 29.700 0.040 0.000 0.750 908 E HN 0.313 nan 8.360 nan 0.000 0.452 909 A N 0.702 123.548 122.820 0.042 0.000 1.929 909 A HA -0.123 4.198 4.320 0.002 0.000 0.216 909 A C 2.007 179.592 177.584 0.003 0.000 1.176 909 A CA 0.713 52.818 52.037 0.114 0.000 0.628 909 A CB -0.273 18.795 19.000 0.113 0.000 0.816 909 A HN 0.151 nan 8.150 nan 0.000 0.444 910 L N -0.567 120.639 121.223 -0.029 0.000 2.056 910 L HA -0.139 4.202 4.340 0.002 0.000 0.207 910 L C 2.562 179.429 176.870 -0.005 0.000 1.078 910 L CA 2.177 57.008 54.840 -0.016 0.000 0.749 910 L CB -1.238 40.801 42.059 -0.034 0.000 0.901 910 L HN 0.500 nan 8.230 nan 0.000 0.433 911 Q N -0.772 118.980 119.800 -0.080 0.000 2.119 911 Q HA -0.087 4.254 4.340 0.002 0.000 0.201 911 Q C 2.137 177.982 176.000 -0.259 0.000 0.972 911 Q CA 1.682 57.413 55.803 -0.120 0.000 0.847 911 Q CB -0.525 28.148 28.738 -0.109 0.000 0.903 911 Q HN 0.462 nan 8.270 nan 0.000 0.433 912 G N -0.747 107.742 108.800 -0.518 0.000 2.402 912 G HA2 -0.282 3.679 3.960 0.002 0.000 0.216 912 G HA3 -0.282 3.679 3.960 0.002 0.000 0.216 912 G C 1.119 175.581 174.900 -0.729 0.000 1.162 912 G CA 0.611 44.988 45.100 -1.205 0.000 0.777 912 G HN 0.550 nan 8.290 nan 0.000 0.539 913 W N 0.669 121.695 121.300 -0.457 0.000 2.355 913 W HA -0.033 4.628 4.660 0.002 0.000 0.309 913 W C 2.165 178.602 176.519 -0.136 0.000 1.206 913 W CA 0.848 58.097 57.345 -0.160 0.000 1.284 913 W CB -0.233 29.135 29.460 -0.153 0.000 1.145 913 W HN 0.077 nan 8.180 nan 0.000 0.502 914 L N 0.894 122.081 121.223 -0.060 0.000 2.083 914 L HA -0.099 4.242 4.340 0.002 0.000 0.209 914 L C 2.513 179.197 176.870 -0.309 0.000 1.083 914 L CA 2.166 56.882 54.840 -0.207 0.000 0.752 914 L CB -2.023 40.027 42.059 -0.015 0.000 0.899 914 L HN 0.192 nan 8.230 nan 0.000 0.433 915 A N -1.141 121.526 122.820 -0.256 0.000 2.014 915 A HA 0.085 4.406 4.320 0.002 0.000 0.218 915 A C 1.941 179.393 177.584 -0.220 0.000 1.163 915 A CA 1.307 53.219 52.037 -0.209 0.000 0.652 915 A CB -0.610 18.284 19.000 -0.177 0.000 0.808 915 A HN 0.425 nan 8.150 nan 0.000 0.449 916 G N -0.221 108.411 108.800 -0.281 0.000 3.774 916 G HA2 0.270 4.231 3.960 0.002 0.000 0.287 916 G HA3 0.270 4.231 3.960 0.002 0.000 0.287 916 G C 0.955 175.628 174.900 -0.377 0.000 1.030 916 G CA 0.414 45.384 45.100 -0.216 0.000 0.824 916 G HN 0.632 nan 8.290 nan 0.000 0.518 917 K N -0.037 119.967 120.400 -0.660 0.000 2.152 917 K HA -0.067 4.254 4.320 0.002 0.000 0.206 917 K C 1.298 177.661 176.600 -0.395 0.000 1.048 917 K CA 1.509 57.237 56.287 -0.932 0.000 0.933 917 K CB -0.191 31.587 32.500 -1.204 0.000 0.721 917 K HN 0.266 nan 8.250 nan 0.000 0.447 918 N N 0.561 119.108 118.700 -0.255 0.000 2.270 918 N HA -0.001 4.740 4.740 0.002 0.000 0.198 918 N C -0.959 174.510 175.510 -0.069 0.000 1.117 918 N CA -0.206 52.771 53.050 -0.122 0.000 0.845 918 N CB 0.353 38.779 38.487 -0.100 0.000 0.980 918 N HN 0.231 nan 8.380 nan 0.000 0.486 919 D N 0.192 120.550 120.400 -0.071 0.000 2.280 919 D HA 0.184 4.825 4.640 0.002 0.000 0.236 919 D C -1.748 174.568 176.300 0.027 0.000 1.082 919 D CA -2.501 51.491 54.000 -0.014 0.000 0.834 919 D CB 1.619 42.411 40.800 -0.013 0.000 1.100 919 D HN -0.160 nan 8.370 nan 0.000 0.486 920 P HA -0.128 nan 4.420 nan 0.000 0.215 920 P C 1.236 178.594 177.300 0.097 0.000 1.153 920 P CA 1.048 64.207 63.100 0.098 0.000 0.853 920 P CB 0.279 32.056 31.700 0.128 0.000 0.788 921 I N -0.990 119.628 120.570 0.079 0.000 2.162 921 I HA -0.168 4.003 4.170 0.002 0.000 0.238 921 I C 2.255 178.413 176.117 0.069 0.000 1.076 921 I CA 1.336 62.676 61.300 0.068 0.000 1.353 921 I CB -0.452 37.581 38.000 0.054 0.000 1.063 921 I HN -0.182 nan 8.210 nan 0.000 0.408 922 K N 0.865 121.311 120.400 0.077 0.000 2.148 922 K HA -0.083 4.238 4.320 0.002 0.000 0.204 922 K C 2.262 178.976 176.600 0.190 0.000 1.050 922 K CA 1.677 58.045 56.287 0.135 0.000 0.942 922 K CB -0.575 32.018 32.500 0.155 0.000 0.724 922 K HN 0.429 nan 8.250 nan 0.000 0.446 923 S N 1.073 116.836 115.700 0.106 0.000 2.399 923 S HA -0.142 4.329 4.470 0.002 0.000 0.231 923 S C 2.098 176.894 174.600 0.326 0.000 1.022 923 S CA 1.190 59.481 58.200 0.152 0.000 0.983 923 S CB -0.064 63.182 63.200 0.077 0.000 0.803 923 S HN 0.275 nan 8.310 nan 0.000 0.480 924 K N 1.288 121.817 120.400 0.214 0.000 2.031 924 K HA -0.072 4.249 4.320 0.002 0.000 0.205 924 K C 2.404 179.082 176.600 0.129 0.000 1.049 924 K CA 1.298 57.697 56.287 0.187 0.000 0.939 924 K CB -0.302 32.274 32.500 0.126 0.000 0.717 924 K HN 0.571 nan 8.250 nan 0.000 0.438 925 E N -0.419 119.809 120.200 0.046 0.000 2.049 925 E HA -0.242 4.109 4.350 0.002 0.000 0.198 925 E C 1.747 178.265 176.600 -0.136 0.000 1.007 925 E CA 1.757 58.090 56.400 -0.112 0.000 0.809 925 E CB -0.152 29.380 29.700 -0.280 0.000 0.749 925 E HN 0.453 nan 8.360 nan 0.000 0.450 926 Y N -0.654 119.708 120.300 0.103 0.000 2.337 926 Y HA 0.054 4.605 4.550 0.002 0.000 0.293 926 Y C 2.376 178.301 175.900 0.042 0.000 1.123 926 Y CA 0.625 58.779 58.100 0.090 0.000 1.201 926 Y CB -0.171 38.365 38.460 0.127 0.000 1.011 926 Y HN 0.178 nan 8.280 nan 0.000 0.545 927 G N -0.125 108.827 108.800 0.253 0.000 2.408 927 G HA2 -0.219 3.742 3.960 0.002 0.000 0.217 927 G HA3 -0.219 3.742 3.960 0.002 0.000 0.217 927 G C 1.114 176.105 174.900 0.150 0.000 1.150 927 G CA 1.208 46.334 45.100 0.043 0.000 0.776 927 G HN 0.254 nan 8.290 nan 0.000 0.542 928 D N 0.611 121.099 120.400 0.145 0.000 2.178 928 D HA -0.030 4.611 4.640 0.002 0.000 0.201 928 D C 2.443 178.782 176.300 0.065 0.000 0.980 928 D CA 0.750 54.813 54.000 0.106 0.000 0.842 928 D CB -0.072 40.767 40.800 0.064 0.000 0.948 928 D HN 0.303 nan 8.370 nan 0.000 0.472 929 K N -0.055 120.370 120.400 0.041 0.000 2.057 929 K HA -0.065 4.256 4.320 0.002 0.000 0.206 929 K C 1.851 178.466 176.600 0.025 0.000 1.050 929 K CA 0.346 56.652 56.287 0.032 0.000 0.935 929 K CB -0.002 32.529 32.500 0.053 0.000 0.715 929 K HN 0.031 nan 8.250 nan 0.000 0.439 930 L N 1.910 123.123 121.223 -0.017 0.000 2.083 930 L HA -0.163 4.178 4.340 0.002 0.000 0.209 930 L C 1.891 178.804 176.870 0.071 0.000 1.083 930 L CA 1.714 56.517 54.840 -0.063 0.000 0.752 930 L CB -0.642 41.191 42.059 -0.376 0.000 0.899 930 L HN 0.097 nan 8.230 nan 0.000 0.433 931 K N -0.570 119.925 120.400 0.159 0.000 2.103 931 K HA -0.200 4.121 4.320 0.002 0.000 0.207 931 K C 2.056 178.698 176.600 0.069 0.000 1.048 931 K CA 1.426 57.803 56.287 0.150 0.000 0.930 931 K CB -0.017 32.560 32.500 0.128 0.000 0.716 931 K HN 0.304 nan 8.250 nan 0.000 0.444 932 K N 0.701 121.131 120.400 0.051 0.000 1.991 932 K HA -0.050 4.271 4.320 0.002 0.000 0.207 932 K C 2.085 178.699 176.600 0.023 0.000 1.045 932 K CA 1.104 57.409 56.287 0.030 0.000 0.937 932 K CB -0.168 32.346 32.500 0.023 0.000 0.720 932 K HN 0.003 nan 8.250 nan 0.000 0.438 933 L N 0.928 122.163 121.223 0.021 0.000 2.131 933 L HA -0.144 4.197 4.340 0.002 0.000 0.210 933 L C 1.816 178.692 176.870 0.010 0.000 1.092 933 L CA 1.007 55.854 54.840 0.012 0.000 0.759 933 L CB -0.257 41.806 42.059 0.007 0.000 0.903 933 L HN 0.179 nan 8.230 nan 0.000 0.435 934 L N -0.338 120.895 121.223 0.017 0.000 2.700 934 L HA 0.289 4.630 4.340 0.002 0.000 0.234 934 L C 1.005 177.884 176.870 0.015 0.000 1.156 934 L CA -0.664 54.184 54.840 0.014 0.000 0.946 934 L CB -0.200 41.872 42.059 0.021 0.000 1.216 934 L HN 0.045 nan 8.230 nan 0.000 0.493 935 A N 0.548 123.378 122.820 0.016 0.000 2.545 935 A HA 0.382 4.703 4.320 0.002 0.000 0.253 935 A C 1.456 179.041 177.584 0.002 0.000 1.074 935 A CA 0.920 52.962 52.037 0.009 0.000 0.760 935 A CB -0.327 18.679 19.000 0.009 0.000 1.005 935 A HN 0.640 nan 8.150 nan 0.000 0.506 936 G N 1.220 110.019 108.800 -0.003 0.000 2.217 936 G HA2 -0.216 3.745 3.960 0.002 0.000 0.246 936 G HA3 -0.216 3.745 3.960 0.002 0.000 0.246 936 G C 0.284 175.180 174.900 -0.006 0.000 0.990 936 G CA 0.233 45.330 45.100 -0.005 0.000 0.627 936 G HN 0.844 nan 8.290 nan 0.000 0.522 937 Q N 0.174 119.970 119.800 -0.006 0.000 2.274 937 Q HA 0.432 4.773 4.340 0.002 0.000 0.280 937 Q C 0.929 176.922 176.000 -0.012 0.000 1.047 937 Q CA 0.751 56.549 55.803 -0.008 0.000 0.907 937 Q CB 1.166 29.899 28.738 -0.009 0.000 1.171 937 Q HN 0.587 nan 8.270 nan 0.000 0.381 938 K N 0.814 121.207 120.400 -0.012 0.000 2.477 938 K HA 0.168 4.489 4.320 0.002 0.000 0.208 938 K C -0.533 176.059 176.600 -0.013 0.000 1.117 938 K CA 0.045 56.323 56.287 -0.014 0.000 1.039 938 K CB 1.048 33.541 32.500 -0.012 0.000 0.937 938 K HN 0.482 nan 8.250 nan 0.000 0.570 939 D N -0.030 120.363 120.400 -0.012 0.000 2.340 939 D HA 0.377 5.018 4.640 0.002 0.000 0.240 939 D C 0.590 176.882 176.300 -0.012 0.000 1.001 939 D CA 0.246 54.240 54.000 -0.010 0.000 0.888 939 D CB 1.838 42.633 40.800 -0.008 0.000 1.310 939 D HN 0.174 nan 8.370 nan 0.000 0.474 940 G N 0.315 109.109 108.800 -0.010 0.000 2.598 940 G HA2 -0.311 3.650 3.960 0.002 0.000 0.269 940 G HA3 -0.311 3.650 3.960 0.002 0.000 0.269 940 G C 1.026 175.916 174.900 -0.016 0.000 1.289 940 G CA 0.115 45.209 45.100 -0.010 0.000 0.926 940 G HN 0.509 nan 8.290 nan 0.000 0.567 941 L N -1.163 120.050 121.223 -0.017 0.000 2.012 941 L HA -0.103 4.238 4.340 0.002 0.000 0.210 941 L C 3.054 179.903 176.870 -0.035 0.000 1.073 941 L CA 1.626 56.451 54.840 -0.025 0.000 0.748 941 L CB -0.439 41.606 42.059 -0.023 0.000 0.891 941 L HN 0.481 nan 8.230 nan 0.000 0.431 942 L N -0.424 120.782 121.223 -0.029 0.000 2.093 942 L HA -0.093 4.248 4.340 0.002 0.000 0.208 942 L C 2.482 179.336 176.870 -0.027 0.000 1.085 942 L CA 1.919 56.741 54.840 -0.030 0.000 0.755 942 L CB -1.366 40.680 42.059 -0.023 0.000 0.904 942 L HN 0.197 nan 8.230 nan 0.000 0.435 943 G N -1.905 106.880 108.800 -0.025 0.000 2.422 943 G HA2 -0.224 3.737 3.960 0.002 0.000 0.218 943 G HA3 -0.224 3.737 3.960 0.002 0.000 0.218 943 G C 1.498 176.376 174.900 -0.037 0.000 1.140 943 G CA 0.319 45.404 45.100 -0.025 0.000 0.775 943 G HN 0.421 nan 8.290 nan 0.000 0.545 944 Q N -0.316 119.456 119.800 -0.045 0.000 2.079 944 Q HA 0.044 4.385 4.340 0.002 0.000 0.200 944 Q C 2.537 178.482 176.000 -0.091 0.000 0.974 944 Q CA 0.823 56.585 55.803 -0.069 0.000 0.840 944 Q CB -0.140 28.549 28.738 -0.081 0.000 0.898 944 Q HN 0.508 nan 8.270 nan 0.000 0.430 945 I N 0.525 121.049 120.570 -0.076 0.000 2.252 945 I HA -0.256 3.915 4.170 0.002 0.000 0.245 945 I C 2.364 178.482 176.117 0.001 0.000 1.102 945 I CA 0.928 62.191 61.300 -0.062 0.000 1.385 945 I CB -0.306 37.649 38.000 -0.075 0.000 1.064 945 I HN 0.153 nan 8.210 nan 0.000 0.414 946 A N 0.581 123.399 122.820 -0.002 0.000 1.972 946 A HA -0.110 4.211 4.320 0.002 0.000 0.219 946 A C 2.424 179.962 177.584 -0.077 0.000 1.169 946 A CA 1.675 53.716 52.037 0.007 0.000 0.635 946 A CB -0.705 18.291 19.000 -0.006 0.000 0.810 946 A HN 0.427 nan 8.150 nan 0.000 0.446 947 A N -1.089 121.682 122.820 -0.082 0.000 2.168 947 A HA 0.182 4.503 4.320 0.002 0.000 0.215 947 A C 1.743 179.237 177.584 -0.149 0.000 1.152 947 A CA 0.985 52.962 52.037 -0.101 0.000 0.716 947 A CB -0.470 18.487 19.000 -0.072 0.000 0.794 947 A HN 0.506 nan 8.150 nan 0.000 0.465 948 M N 0.316 119.801 119.600 -0.191 0.000 2.551 948 M HA 0.022 4.503 4.480 0.002 0.000 0.252 948 M C 1.657 177.631 176.300 -0.543 0.000 1.219 948 M CA 0.451 55.602 55.300 -0.248 0.000 0.978 948 M CB 0.113 32.605 32.600 -0.180 0.000 1.533 948 M HN 0.530 nan 8.290 nan 0.000 0.474 949 S N 0.285 115.547 115.700 -0.729 0.000 2.419 949 S HA -0.164 4.307 4.470 0.002 0.000 0.233 949 S C 1.321 175.407 174.600 -0.855 0.000 1.016 949 S CA 1.513 58.845 58.200 -1.447 0.000 0.974 949 S CB -0.493 62.220 63.200 -0.812 0.000 0.786 949 S HN 0.606 nan 8.310 nan 0.000 0.492 950 D N 1.557 121.712 120.400 -0.408 0.000 2.378 950 D HA -0.021 4.620 4.640 0.002 0.000 0.227 950 D C 1.379 177.614 176.300 -0.109 0.000 1.012 950 D CA 0.337 54.218 54.000 -0.199 0.000 0.905 950 D CB -0.506 40.226 40.800 -0.113 0.000 0.895 950 D HN 0.510 nan 8.370 nan 0.000 0.532 951 L N -1.241 119.886 121.223 -0.160 0.000 2.616 951 L HA 0.175 4.516 4.340 0.002 0.000 0.229 951 L C 1.751 178.742 176.870 0.203 0.000 1.110 951 L CA -0.248 54.610 54.840 0.029 0.000 0.884 951 L CB -0.257 41.819 42.059 0.029 0.000 1.115 951 L HN -0.036 nan 8.230 nan 0.000 0.481 952 Y N 0.485 120.813 120.300 0.047 0.000 2.114 952 Y HA -0.182 4.369 4.550 0.002 0.000 0.284 952 Y C 2.010 178.173 175.900 0.438 0.000 1.143 952 Y CA 0.848 59.037 58.100 0.149 0.000 1.135 952 Y CB -0.199 38.244 38.460 -0.029 0.000 0.980 952 Y HN 0.122 nan 8.280 nan 0.000 0.499 953 T N 1.247 116.052 114.554 0.418 0.000 2.884 953 T HA 0.121 4.472 4.350 0.002 0.000 0.298 953 T C -0.339 174.518 174.700 0.263 0.000 0.998 953 T CA -0.997 61.295 62.100 0.321 0.000 1.124 953 T CB 0.969 69.975 68.868 0.231 0.000 0.931 953 T HN 0.020 nan 8.240 nan 0.000 0.531 954 K N 4.000 124.526 120.400 0.211 0.000 2.451 954 K HA 0.136 4.457 4.320 0.002 0.000 0.280 954 K C 0.030 176.729 176.600 0.165 0.000 1.020 954 K CA 0.239 56.619 56.287 0.155 0.000 1.008 954 K CB 0.347 32.898 32.500 0.085 0.000 0.917 954 K HN 0.503 nan 8.250 nan 0.000 0.478 955 K N 2.238 122.745 120.400 0.178 0.000 2.090 955 K HA 0.244 4.565 4.320 0.002 0.000 0.249 955 K C -0.523 176.189 176.600 0.187 0.000 0.995 955 K CA -0.619 55.809 56.287 0.235 0.000 0.914 955 K CB 1.713 34.443 32.500 0.384 0.000 1.057 955 K HN 0.555 nan 8.250 nan 0.000 0.462 956 S N 1.025 116.871 115.700 0.244 0.000 2.594 956 S HA 0.290 4.761 4.470 0.002 0.000 0.322 956 S C -0.876 173.885 174.600 0.267 0.000 1.085 956 S CA -0.681 57.633 58.200 0.190 0.000 1.116 956 S CB 0.377 63.745 63.200 0.280 0.000 0.979 956 S HN 0.254 nan 8.310 nan 0.000 0.465 957 V N 6.026 125.973 119.914 0.055 0.000 2.406 957 V HA 0.442 4.563 4.120 0.002 0.000 0.272 957 V C -0.669 175.369 176.094 -0.095 0.000 1.043 957 V CA -0.386 61.941 62.300 0.046 0.000 0.915 957 V CB 0.482 32.234 31.823 -0.117 0.000 0.988 957 V HN 0.841 nan 8.190 nan 0.000 0.466 958 W N 4.901 126.182 121.300 -0.031 0.000 2.666 958 W HA 0.728 5.389 4.660 0.002 0.000 0.334 958 W C -0.420 176.057 176.519 -0.070 0.000 1.051 958 W CA -0.538 56.798 57.345 -0.014 0.000 1.224 958 W CB 1.535 30.952 29.460 -0.071 0.000 1.405 958 W HN 0.335 nan 8.180 nan 0.000 0.513 959 I N 3.499 124.237 120.570 0.279 0.000 2.362 959 I HA 0.370 4.541 4.170 0.002 0.000 0.289 959 I C -0.606 175.790 176.117 0.465 0.000 0.994 959 I CA -0.534 60.879 61.300 0.189 0.000 1.158 959 I CB 0.728 38.835 38.000 0.179 0.000 1.315 959 I HN 0.197 nan 8.210 nan 0.000 0.451 960 F N 3.793 123.776 119.950 0.054 0.000 2.480 960 F HA 0.811 5.339 4.527 0.002 0.000 0.329 960 F C 0.714 176.418 175.800 -0.160 0.000 1.091 960 F CA -0.787 57.301 58.000 0.146 0.000 0.972 960 F CB 2.347 41.487 39.000 0.232 0.000 1.150 960 F HN 0.531 nan 8.300 nan 0.000 0.467 961 G N 0.966 109.855 108.800 0.149 0.000 2.559 961 G HA2 0.484 4.445 3.960 0.002 0.000 0.291 961 G HA3 0.484 4.445 3.960 0.002 0.000 0.291 961 G C -1.277 173.859 174.900 0.393 0.000 1.424 961 G CA -0.487 44.659 45.100 0.077 0.000 0.786 961 G HN 0.884 nan 8.290 nan 0.000 0.485 962 G N -1.274 107.782 108.800 0.428 0.000 2.532 962 G HA2 0.479 4.440 3.960 0.002 0.000 0.291 962 G HA3 0.479 4.440 3.960 0.002 0.000 0.291 962 G C 0.760 175.881 174.900 0.368 0.000 1.349 962 G CA 0.614 45.904 45.100 0.317 0.000 1.038 962 G HN 0.674 nan 8.290 nan 0.000 0.518 963 D N -0.959 119.542 120.400 0.170 0.000 2.224 963 D HA -0.054 4.587 4.640 0.002 0.000 0.205 963 D C 2.133 178.442 176.300 0.015 0.000 0.965 963 D CA 1.082 55.150 54.000 0.114 0.000 0.852 963 D CB -0.584 40.076 40.800 -0.233 0.000 0.947 963 D HN 0.458 nan 8.370 nan 0.000 0.494 964 G N 0.493 109.203 108.800 -0.149 0.000 2.418 964 G HA2 -0.278 3.683 3.960 0.002 0.000 0.217 964 G HA3 -0.278 3.683 3.960 0.002 0.000 0.217 964 G C 1.365 176.324 174.900 0.098 0.000 1.158 964 G CA 0.742 45.584 45.100 -0.431 0.000 0.771 964 G HN 0.386 nan 8.290 nan 0.000 0.545 965 W N 1.872 123.255 121.300 0.139 0.000 2.329 965 W HA 0.023 4.683 4.660 0.001 0.000 0.324 965 W C 2.679 179.219 176.519 0.035 0.000 1.222 965 W CA 2.598 59.915 57.345 -0.046 0.000 1.270 965 W CB -0.584 28.951 29.460 0.125 0.000 1.167 965 W HN 0.224 nan 8.180 nan 0.000 0.467 966 A N -1.225 121.380 122.820 -0.358 0.000 1.969 966 A HA -0.144 4.177 4.320 0.002 0.000 0.218 966 A C 1.743 179.125 177.584 -0.336 0.000 1.169 966 A CA 1.631 53.223 52.037 -0.742 0.000 0.635 966 A CB -1.177 17.613 19.000 -0.351 0.000 0.810 966 A HN 0.537 nan 8.150 nan 0.000 0.445 967 Y N -0.514 119.624 120.300 -0.270 0.000 2.503 967 Y HA 0.115 4.666 4.550 0.002 0.000 0.278 967 Y C 1.482 177.251 175.900 -0.217 0.000 1.111 967 Y CA 0.397 58.327 58.100 -0.283 0.000 1.270 967 Y CB 0.137 38.472 38.460 -0.209 0.000 1.063 967 Y HN 0.298 nan 8.280 nan 0.000 0.548 968 D N -1.098 119.326 120.400 0.039 0.000 3.051 968 D HA 0.055 4.696 4.640 0.002 0.000 0.216 968 D C 1.957 178.277 176.300 0.033 0.000 1.454 968 D CA -0.061 53.998 54.000 0.098 0.000 1.400 968 D CB -0.671 40.294 40.800 0.275 0.000 0.975 968 D HN 0.040 nan 8.370 nan 0.000 0.212 969 I N 0.824 121.394 120.570 -0.001 0.000 2.286 969 I HA -0.077 4.094 4.170 0.002 0.000 0.248 969 I C 1.371 177.380 176.117 -0.180 0.000 1.115 969 I CA 1.547 62.767 61.300 -0.134 0.000 1.392 969 I CB 0.098 37.948 38.000 -0.249 0.000 1.065 969 I HN 0.136 nan 8.210 nan 0.000 0.418 970 G N -1.459 107.167 108.800 -0.290 0.000 3.434 970 G HA2 -0.142 3.819 3.960 0.002 0.000 0.258 970 G HA3 -0.142 3.819 3.960 0.002 0.000 0.258 970 G C 0.968 175.650 174.900 -0.363 0.000 1.128 970 G CA -0.281 44.650 45.100 -0.282 0.000 0.792 970 G HN 0.415 nan 8.290 nan 0.000 0.539 971 Y N 1.727 121.792 120.300 -0.390 0.000 2.181 971 Y HA -0.046 4.505 4.550 0.002 0.000 0.288 971 Y C 2.413 178.186 175.900 -0.211 0.000 1.146 971 Y CA 1.692 59.589 58.100 -0.338 0.000 1.164 971 Y CB -0.307 37.998 38.460 -0.257 0.000 0.982 971 Y HN 0.111 nan 8.280 nan 0.000 0.515 972 G N -0.777 107.813 108.800 -0.350 0.000 2.422 972 G HA2 -0.166 3.795 3.960 0.002 0.000 0.218 972 G HA3 -0.166 3.795 3.960 0.002 0.000 0.218 972 G C 1.867 176.610 174.900 -0.262 0.000 1.140 972 G CA 0.648 45.533 45.100 -0.359 0.000 0.775 972 G HN 0.599 nan 8.290 nan 0.000 0.545 973 G N 0.725 109.415 108.800 -0.184 0.000 2.394 973 G HA2 -0.052 3.909 3.960 0.002 0.000 0.215 973 G HA3 -0.052 3.909 3.960 0.002 0.000 0.215 973 G C 1.702 176.551 174.900 -0.085 0.000 1.165 973 G CA 0.926 45.971 45.100 -0.092 0.000 0.784 973 G HN 0.381 nan 8.290 nan 0.000 0.535 974 L N 1.230 122.365 121.223 -0.146 0.000 2.046 974 L HA 0.009 4.350 4.340 0.002 0.000 0.208 974 L C 2.194 178.955 176.870 -0.181 0.000 1.077 974 L CA 2.645 57.411 54.840 -0.124 0.000 0.747 974 L CB -0.762 41.136 42.059 -0.268 0.000 0.896 974 L HN 0.287 nan 8.230 nan 0.000 0.432 975 D N -1.761 118.441 120.400 -0.331 0.000 2.123 975 D HA -0.290 4.351 4.640 0.002 0.000 0.196 975 D C 2.217 178.390 176.300 -0.210 0.000 0.992 975 D CA 1.537 55.367 54.000 -0.283 0.000 0.833 975 D CB -0.218 40.266 40.800 -0.526 0.000 0.954 975 D HN 0.577 nan 8.370 nan 0.000 0.455 976 H N -0.333 118.576 119.070 -0.270 0.000 2.293 976 H HA -0.090 4.467 4.556 0.002 0.000 0.300 976 H C 2.137 177.261 175.328 -0.340 0.000 1.082 976 H CA 1.677 57.565 56.048 -0.265 0.000 1.308 976 H CB -0.128 29.482 29.762 -0.253 0.000 1.375 976 H HN 0.094 nan 8.280 nan 0.000 0.495 977 V N 1.458 121.202 119.914 -0.284 0.000 2.343 977 V HA -0.272 3.849 4.120 0.002 0.000 0.247 977 V C 2.968 178.898 176.094 -0.273 0.000 1.051 977 V CA 1.523 63.581 62.300 -0.402 0.000 1.036 977 V CB -0.594 31.106 31.823 -0.205 0.000 0.654 977 V HN 0.335 nan 8.190 nan 0.000 0.451 978 L N 0.070 121.163 121.223 -0.217 0.000 2.046 978 L HA -0.159 4.182 4.340 0.002 0.000 0.208 978 L C 2.685 179.351 176.870 -0.341 0.000 1.077 978 L CA 1.639 56.354 54.840 -0.209 0.000 0.747 978 L CB -0.823 41.117 42.059 -0.197 0.000 0.896 978 L HN 0.367 nan 8.230 nan 0.000 0.432 979 A N 0.019 122.501 122.820 -0.565 0.000 2.070 979 A HA -0.193 4.128 4.320 0.002 0.000 0.220 979 A C 2.475 179.940 177.584 -0.198 0.000 1.159 979 A CA 1.680 53.358 52.037 -0.598 0.000 0.656 979 A CB -0.574 18.073 19.000 -0.589 0.000 0.800 979 A HN 0.554 nan 8.150 nan 0.000 0.453 980 S N -1.441 114.095 115.700 -0.274 0.000 2.447 980 S HA 0.240 4.711 4.470 0.002 0.000 0.233 980 S C 1.628 176.202 174.600 -0.043 0.000 1.006 980 S CA 1.336 59.423 58.200 -0.188 0.000 0.957 980 S CB -0.667 62.418 63.200 -0.192 0.000 0.773 980 S HN 1.962 nan 8.310 nan 0.000 0.507 981 G N 0.749 109.582 108.800 0.055 0.000 2.143 981 G HA2 -0.226 3.735 3.960 0.002 0.000 0.249 981 G HA3 -0.226 3.735 3.960 0.002 0.000 0.249 981 G C -0.207 174.725 174.900 0.054 0.000 0.981 981 G CA 0.314 45.463 45.100 0.082 0.000 0.665 981 G HN 0.641 nan 8.290 nan 0.000 0.528 982 E N 0.073 120.323 120.200 0.084 0.000 2.280 982 E HA 0.363 4.714 4.350 0.002 0.000 0.264 982 E C -0.695 175.925 176.600 0.034 0.000 1.064 982 E CA -0.747 55.683 56.400 0.049 0.000 0.900 982 E CB 0.847 30.614 29.700 0.113 0.000 1.123 982 E HN 0.094 nan 8.360 nan 0.000 0.418 983 D N 1.993 122.376 120.400 -0.029 0.000 2.470 983 D HA 0.154 4.795 4.640 0.002 0.000 0.226 983 D C -1.063 175.188 176.300 -0.081 0.000 1.196 983 D CA -0.240 53.724 54.000 -0.061 0.000 0.979 983 D CB -0.192 40.557 40.800 -0.086 0.000 1.059 983 D HN 0.247 nan 8.370 nan 0.000 0.515 984 V N 0.838 120.712 119.914 -0.068 0.000 3.040 984 V HA 0.662 4.783 4.120 0.002 0.000 0.312 984 V C -0.636 175.335 176.094 -0.204 0.000 1.115 984 V CA -1.101 61.129 62.300 -0.116 0.000 0.998 984 V CB 2.346 34.171 31.823 0.003 0.000 1.042 984 V HN 0.285 nan 8.190 nan 0.000 0.433 985 N N 1.678 120.134 118.700 -0.408 0.000 2.442 985 N HA 0.536 5.277 4.740 0.002 0.000 0.274 985 N C -1.017 174.364 175.510 -0.216 0.000 1.002 985 N CA -0.226 52.456 53.050 -0.613 0.000 0.910 985 N CB 2.435 39.847 38.487 -1.790 0.000 1.244 985 N HN 0.899 nan 8.380 nan 0.000 0.492 986 V N 2.388 122.351 119.914 0.081 0.000 2.435 986 V HA 0.627 4.748 4.120 0.002 0.000 0.290 986 V C -1.289 175.135 176.094 0.551 0.000 1.030 986 V CA -0.589 61.928 62.300 0.362 0.000 0.881 986 V CB 1.133 33.195 31.823 0.398 0.000 0.983 986 V HN 0.490 nan 8.190 nan 0.000 0.445 987 F N 6.293 126.584 119.950 0.569 0.000 2.445 987 F HA 0.713 5.241 4.527 0.001 0.000 0.348 987 F C -0.554 175.470 175.800 0.373 0.000 1.125 987 F CA -0.677 57.617 58.000 0.490 0.000 0.983 987 F CB 1.775 41.084 39.000 0.516 0.000 1.198 987 F HN 0.440 nan 8.300 nan 0.000 0.436 988 V N 7.686 127.470 119.914 -0.217 0.000 2.347 988 V HA 0.298 4.419 4.120 0.002 0.000 0.280 988 V C 0.059 175.887 176.094 -0.443 0.000 1.021 988 V CA -0.560 61.691 62.300 -0.082 0.000 0.847 988 V CB 1.363 33.266 31.823 0.133 0.000 0.990 988 V HN 0.708 nan 8.190 nan 0.000 0.444 989 M N 4.365 123.811 119.600 -0.257 0.000 2.261 989 M HA 0.292 4.773 4.480 0.002 0.000 0.349 989 M C -0.240 176.019 176.300 -0.068 0.000 1.305 989 M CA -0.123 55.047 55.300 -0.217 0.000 1.240 989 M CB 0.264 32.855 32.600 -0.016 0.000 1.394 989 M HN 0.485 nan 8.290 nan 0.000 0.438 990 D N 2.372 122.713 120.400 -0.099 0.000 2.339 990 D HA 0.105 4.746 4.640 0.002 0.000 0.241 990 D C 0.836 177.022 176.300 -0.190 0.000 1.183 990 D CA 0.056 54.030 54.000 -0.043 0.000 0.859 990 D CB 1.099 42.003 40.800 0.174 0.000 1.067 990 D HN 0.644 nan 8.370 nan 0.000 0.484 991 T N 0.040 114.508 114.554 -0.143 0.000 3.069 991 T HA 0.107 4.458 4.350 0.002 0.000 0.252 991 T C 0.569 175.183 174.700 -0.144 0.000 1.053 991 T CA -0.324 61.668 62.100 -0.180 0.000 0.964 991 T CB -0.202 68.618 68.868 -0.080 0.000 1.005 991 T HN 0.592 nan 8.240 nan 0.000 0.532 992 E N -0.462 119.664 120.200 -0.123 0.000 2.586 992 E HA -0.141 4.210 4.350 0.002 0.000 0.259 992 E C -0.551 176.002 176.600 -0.078 0.000 1.107 992 E CA 0.269 56.619 56.400 -0.083 0.000 0.754 992 E CB -1.747 27.989 29.700 0.061 0.000 1.335 992 E HN 0.494 nan 8.360 nan 0.000 0.411 993 V N -0.388 119.470 119.914 -0.095 0.000 3.278 993 V HA 0.196 4.317 4.120 0.002 0.000 0.288 993 V C -1.563 174.511 176.094 -0.033 0.000 1.514 993 V CA -0.915 61.364 62.300 -0.035 0.000 1.051 993 V CB 1.441 33.251 31.823 -0.021 0.000 1.163 993 V HN 0.174 nan 8.190 nan 0.000 0.458 994 Y N 2.555 122.863 120.300 0.014 0.000 2.624 994 Y HA 0.213 4.764 4.550 0.002 0.000 0.354 994 Y C 1.546 177.442 175.900 -0.007 0.000 1.051 994 Y CA 0.657 58.775 58.100 0.030 0.000 1.377 994 Y CB 1.148 39.615 38.460 0.010 0.000 1.168 994 Y HN 0.642 nan 8.280 nan 0.000 0.525 995 S N 1.882 117.647 115.700 0.109 0.000 2.348 995 S HA -0.177 4.294 4.470 0.002 0.000 0.219 995 S C 1.900 176.530 174.600 0.051 0.000 1.033 995 S CA 1.145 59.383 58.200 0.062 0.000 0.974 995 S CB -0.213 63.019 63.200 0.054 0.000 0.868 995 S HN 0.823 nan 8.310 nan 0.000 0.459 996 N N 1.401 120.132 118.700 0.051 0.000 2.149 996 N HA -0.143 4.598 4.740 0.002 0.000 0.188 996 N C 1.559 177.061 175.510 -0.014 0.000 1.019 996 N CA 2.052 55.114 53.050 0.019 0.000 0.857 996 N CB -0.296 38.191 38.487 0.001 0.000 0.997 996 N HN 0.509 nan 8.380 nan 0.000 0.426 997 T N -4.415 110.124 114.554 -0.024 0.000 3.072 997 T HA 0.247 4.598 4.350 0.002 0.000 0.266 997 T C 1.317 175.984 174.700 -0.055 0.000 1.127 997 T CA 0.614 62.680 62.100 -0.057 0.000 1.107 997 T CB 0.142 68.950 68.868 -0.101 0.000 0.910 997 T HN 0.335 nan 8.240 nan 0.000 0.513 998 G N 0.089 108.867 108.800 -0.037 0.000 2.174 998 G HA2 0.329 4.290 3.960 0.002 0.000 0.140 998 G HA3 0.329 4.290 3.960 0.002 0.000 0.140 998 G C 0.691 175.551 174.900 -0.066 0.000 1.031 998 G CA -0.088 44.975 45.100 -0.063 0.000 0.728 998 G HN 1.461 nan 8.290 nan 0.000 0.496 999 G N -0.829 107.957 108.800 -0.023 0.000 2.248 999 G HA2 -0.057 3.904 3.960 0.002 0.000 0.263 999 G HA3 -0.057 3.904 3.960 0.002 0.000 0.263 999 G C 0.102 174.984 174.900 -0.030 0.000 1.082 999 G CA 0.747 45.831 45.100 -0.027 0.000 0.863 999 G HN 1.019 nan 8.290 nan 0.000 0.495 1000 Q N 0.278 120.105 119.800 0.044 0.000 2.299 1000 Q HA 0.616 4.957 4.340 0.002 0.000 0.246 1000 Q C 0.862 176.998 176.000 0.227 0.000 0.935 1000 Q CA 0.251 56.106 55.803 0.086 0.000 0.887 1000 Q CB 1.332 30.124 28.738 0.089 0.000 1.223 1000 Q HN 0.431 nan 8.270 nan 0.000 0.439 1001 S N 1.107 116.923 115.700 0.192 0.000 2.563 1001 S HA 0.310 4.781 4.470 0.002 0.000 0.284 1001 S C -0.187 174.605 174.600 0.319 0.000 1.331 1001 S CA 0.045 58.358 58.200 0.188 0.000 1.047 1001 S CB 0.102 63.396 63.200 0.158 0.000 0.859 1001 S HN 0.645 nan 8.310 nan 0.000 0.514 1002 S N 3.420 119.222 115.700 0.169 0.000 2.704 1002 S HA 0.511 4.982 4.470 0.002 0.000 0.296 1002 S C 0.386 175.004 174.600 0.031 0.000 1.138 1002 S CA -0.965 57.309 58.200 0.122 0.000 0.875 1002 S CB 1.151 64.195 63.200 -0.259 0.000 1.151 1002 S HN 0.729 nan 8.310 nan 0.000 0.500 1003 K N 0.108 120.525 120.400 0.029 0.000 2.515 1003 K HA 0.054 4.375 4.320 0.002 0.000 0.196 1003 K C 1.586 178.136 176.600 -0.082 0.000 1.038 1003 K CA 0.925 57.225 56.287 0.022 0.000 0.967 1003 K CB -0.409 32.131 32.500 0.066 0.000 0.780 1003 K HN 0.672 nan 8.250 nan 0.000 0.483 1004 A N 0.975 123.585 122.820 -0.350 0.000 2.251 1004 A HA 0.035 4.356 4.320 0.002 0.000 0.209 1004 A C 0.685 178.136 177.584 -0.222 0.000 1.187 1004 A CA 0.221 51.877 52.037 -0.635 0.000 0.823 1004 A CB 0.042 18.213 19.000 -1.383 0.000 0.846 1004 A HN 0.055 nan 8.150 nan 0.000 0.486 1005 T N 3.205 117.700 114.554 -0.100 0.000 2.907 1005 T HA 0.384 4.735 4.350 0.002 0.000 0.298 1005 T C -2.380 172.362 174.700 0.070 0.000 1.017 1005 T CA -0.803 61.302 62.100 0.007 0.000 1.118 1005 T CB 1.307 70.186 68.868 0.017 0.000 0.948 1005 T HN 0.268 nan 8.240 nan 0.000 0.531 1006 P HA 0.230 nan 4.420 nan 0.000 0.280 1006 P C -0.465 176.965 177.300 0.216 0.000 1.272 1006 P CA -0.575 62.653 63.100 0.213 0.000 0.819 1006 P CB 0.479 32.414 31.700 0.393 0.000 1.122 1007 T N 0.351 115.023 114.554 0.196 0.000 2.934 1007 T HA 0.274 4.625 4.350 0.002 0.000 0.306 1007 T C 1.441 176.304 174.700 0.271 0.000 1.042 1007 T CA 1.835 64.042 62.100 0.178 0.000 1.145 1007 T CB -0.699 68.253 68.868 0.141 0.000 0.982 1007 T HN 0.832 nan 8.240 nan 0.000 0.544 1008 G N 1.946 110.863 108.800 0.195 0.000 2.245 1008 G HA2 -0.174 3.787 3.960 0.002 0.000 0.264 1008 G HA3 -0.174 3.787 3.960 0.002 0.000 0.264 1008 G C 0.362 175.409 174.900 0.245 0.000 0.985 1008 G CA 0.081 45.318 45.100 0.228 0.000 0.625 1008 G HN 1.238 nan 8.290 nan 0.000 0.536 1009 A N 0.124 123.050 122.820 0.177 0.000 2.477 1009 A HA 0.591 4.912 4.320 0.002 0.000 0.246 1009 A C 0.660 178.136 177.584 -0.179 0.000 1.078 1009 A CA 0.526 52.407 52.037 -0.261 0.000 0.770 1009 A CB 0.738 19.593 19.000 -0.242 0.000 1.011 1009 A HN 1.170 nan 8.150 nan 0.000 0.494 1010 V N 1.877 121.640 119.914 -0.252 0.000 2.461 1010 V HA 0.608 4.729 4.120 0.002 0.000 0.275 1010 V C 0.652 176.650 176.094 -0.160 0.000 1.047 1010 V CA 0.707 62.912 62.300 -0.158 0.000 0.955 1010 V CB 0.454 32.203 31.823 -0.124 0.000 0.988 1010 V HN 1.332 nan 8.190 nan 0.000 0.471 1011 A N 5.121 127.868 122.820 -0.122 0.000 2.599 1011 A HA 0.763 5.084 4.320 0.002 0.000 0.290 1011 A C -0.976 176.513 177.584 -0.160 0.000 1.101 1011 A CA -1.014 50.952 52.037 -0.119 0.000 0.674 1011 A CB 1.340 20.298 19.000 -0.070 0.000 1.277 1011 A HN 0.524 nan 8.150 nan 0.000 0.419 1012 K N 0.282 120.540 120.400 -0.238 0.000 2.436 1012 K HA 0.393 4.714 4.320 0.002 0.000 0.275 1012 K C -0.341 175.959 176.600 -0.499 0.000 0.999 1012 K CA 0.469 56.444 56.287 -0.520 0.000 0.980 1012 K CB -0.680 31.371 32.500 -0.748 0.000 0.919 1012 K HN 0.918 nan 8.250 nan 0.000 0.484 1013 F N -1.520 118.405 119.950 -0.042 0.000 2.656 1013 F HA -0.305 4.223 4.527 0.002 0.000 0.381 1013 F C 0.583 176.377 175.800 -0.011 0.000 0.603 1013 F CA 0.823 58.810 58.000 -0.021 0.000 1.335 1013 F CB -1.534 37.455 39.000 -0.018 0.000 1.836 1013 F HN 0.576 nan 8.300 nan 0.000 0.290 1014 A N -0.067 122.768 122.820 0.025 0.000 2.992 1014 A HA 0.800 5.121 4.320 0.002 0.000 0.263 1014 A C 0.913 178.464 177.584 -0.056 0.000 0.928 1014 A CA 0.318 52.358 52.037 0.005 0.000 1.061 1014 A CB -0.070 18.935 19.000 0.009 0.000 1.173 1014 A HN 0.640 nan 8.150 nan 0.000 0.482 1015 A N -0.421 122.364 122.820 -0.058 0.000 2.248 1015 A HA 0.379 4.700 4.320 0.002 0.000 0.210 1015 A C 1.441 178.969 177.584 -0.092 0.000 1.174 1015 A CA 1.457 53.455 52.037 -0.065 0.000 0.750 1015 A CB -0.104 18.874 19.000 -0.037 0.000 0.780 1015 A HN 1.523 nan 8.150 nan 0.000 0.478 1016 A N -1.021 121.697 122.820 -0.171 0.000 2.616 1016 A HA 0.543 4.864 4.320 0.002 0.000 0.294 1016 A C 0.828 178.219 177.584 -0.321 0.000 1.091 1016 A CA 0.465 52.245 52.037 -0.429 0.000 0.971 1016 A CB -0.732 17.905 19.000 -0.605 0.000 1.222 1016 A HN 1.970 nan 8.150 nan 0.000 0.521 1017 G N 0.290 108.992 108.800 -0.162 0.000 3.019 1017 G HA2 -0.110 3.851 3.960 0.002 0.000 0.686 1017 G HA3 -0.110 3.851 3.960 0.002 0.000 0.686 1017 G C -0.372 174.505 174.900 -0.038 0.000 1.056 1017 G CA -0.228 44.825 45.100 -0.078 0.000 0.774 1017 G HN 0.705 nan 8.290 nan 0.000 0.583 1018 K N 1.245 121.649 120.400 0.007 0.000 2.447 1018 K HA 0.243 4.564 4.320 0.002 0.000 0.281 1018 K C 1.086 177.711 176.600 0.041 0.000 1.031 1018 K CA -0.176 56.130 56.287 0.032 0.000 1.019 1018 K CB 0.247 32.779 32.500 0.053 0.000 0.918 1018 K HN 0.392 nan 8.250 nan 0.000 0.476 1019 R N 2.233 122.753 120.500 0.033 0.000 2.427 1019 R HA 0.080 4.421 4.340 0.002 0.000 0.262 1019 R C -0.236 176.087 176.300 0.038 0.000 0.943 1019 R CA 0.043 56.162 56.100 0.031 0.000 1.081 1019 R CB 0.121 30.433 30.300 0.019 0.000 1.166 1019 R HN 0.730 nan 8.270 nan 0.000 0.534 1020 T N -2.958 111.622 114.554 0.045 0.000 2.893 1020 T HA 0.686 5.037 4.350 0.002 0.000 0.291 1020 T C 0.535 175.264 174.700 0.048 0.000 1.028 1020 T CA -0.794 61.330 62.100 0.040 0.000 0.995 1020 T CB 2.765 71.653 68.868 0.034 0.000 1.051 1020 T HN 0.085 nan 8.240 nan 0.000 0.470 1021 G N 0.691 109.515 108.800 0.040 0.000 2.634 1021 G HA2 0.393 4.354 3.960 0.002 0.000 0.255 1021 G HA3 0.393 4.354 3.960 0.002 0.000 0.255 1021 G C -0.305 174.615 174.900 0.034 0.000 1.205 1021 G CA -0.916 44.210 45.100 0.043 0.000 0.884 1021 G HN 0.973 nan 8.290 nan 0.000 0.549 1022 K N 0.195 120.615 120.400 0.034 0.000 2.451 1022 K HA 0.037 4.358 4.320 0.002 0.000 0.280 1022 K C 0.656 177.273 176.600 0.028 0.000 1.020 1022 K CA -0.145 56.158 56.287 0.026 0.000 1.008 1022 K CB 0.326 32.836 32.500 0.016 0.000 0.917 1022 K HN 0.469 nan 8.250 nan 0.000 0.478 1023 K N 3.519 123.957 120.400 0.062 0.000 2.448 1023 K HA -0.084 4.237 4.320 0.002 0.000 0.278 1023 K C -0.445 176.187 176.600 0.054 0.000 1.009 1023 K CA -0.040 56.276 56.287 0.048 0.000 0.995 1023 K CB 0.558 33.106 32.500 0.079 0.000 0.917 1023 K HN 0.485 nan 8.250 nan 0.000 0.481 1024 D N 5.399 125.765 120.400 -0.056 0.000 2.522 1024 D HA 0.023 4.664 4.640 0.002 0.000 0.218 1024 D C 0.773 176.972 176.300 -0.168 0.000 1.149 1024 D CA -0.227 53.718 54.000 -0.091 0.000 0.981 1024 D CB 0.480 41.208 40.800 -0.120 0.000 1.041 1024 D HN 0.563 nan 8.370 nan 0.000 0.518 1025 L N 3.838 124.917 121.223 -0.241 0.000 2.093 1025 L HA 0.005 4.346 4.340 0.002 0.000 0.208 1025 L C 2.025 178.761 176.870 -0.223 0.000 1.085 1025 L CA 1.900 56.500 54.840 -0.399 0.000 0.755 1025 L CB -0.417 41.138 42.059 -0.839 0.000 0.904 1025 L HN 0.303 nan 8.230 nan 0.000 0.435 1026 A N -0.141 122.595 122.820 -0.140 0.000 1.902 1026 A HA -0.203 4.118 4.320 0.002 0.000 0.217 1026 A C 2.418 179.936 177.584 -0.111 0.000 1.181 1026 A CA 1.832 53.850 52.037 -0.032 0.000 0.623 1026 A CB -0.531 18.569 19.000 0.168 0.000 0.818 1026 A HN 0.522 nan 8.150 nan 0.000 0.443 1027 R N -1.253 119.140 120.500 -0.180 0.000 2.153 1027 R HA 0.091 4.432 4.340 0.002 0.000 0.218 1027 R C 2.141 178.286 176.300 -0.258 0.000 1.072 1027 R CA 1.133 57.069 56.100 -0.272 0.000 0.990 1027 R CB -0.325 29.801 30.300 -0.290 0.000 0.889 1027 R HN 0.561 nan 8.270 nan 0.000 0.452 1028 M N 0.229 119.705 119.600 -0.208 0.000 2.099 1028 M HA -0.125 4.356 4.480 0.002 0.000 0.262 1028 M C 2.404 178.575 176.300 -0.215 0.000 1.067 1028 M CA 1.455 56.638 55.300 -0.196 0.000 1.124 1028 M CB -0.291 32.236 32.600 -0.122 0.000 1.353 1028 M HN 0.074 nan 8.290 nan 0.000 0.410 1029 V N -0.152 119.677 119.914 -0.142 0.000 2.970 1029 V HA -0.126 3.995 4.120 0.002 0.000 0.260 1029 V C 1.771 177.753 176.094 -0.187 0.000 1.100 1029 V CA 1.322 63.582 62.300 -0.067 0.000 1.122 1029 V CB -0.440 31.405 31.823 0.036 0.000 0.721 1029 V HN 0.469 nan 8.190 nan 0.000 0.483 1030 M N 1.160 120.556 119.600 -0.340 0.000 2.557 1030 M HA -0.050 4.431 4.480 0.002 0.000 0.259 1030 M C 2.111 178.078 176.300 -0.556 0.000 1.086 1030 M CA 1.676 56.605 55.300 -0.620 0.000 1.096 1030 M CB -0.461 31.701 32.600 -0.730 0.000 1.424 1030 M HN 0.709 nan 8.290 nan 0.000 0.488 1031 T N -2.338 111.959 114.554 -0.428 0.000 3.051 1031 T HA -0.131 4.220 4.350 0.002 0.000 0.269 1031 T C 1.355 175.827 174.700 -0.380 0.000 1.127 1031 T CA 0.905 62.772 62.100 -0.388 0.000 1.107 1031 T CB -0.456 68.175 68.868 -0.394 0.000 0.898 1031 T HN 0.318 nan 8.240 nan 0.000 0.517 1032 Y N 1.937 122.045 120.300 -0.319 0.000 2.263 1032 Y HA 0.278 4.829 4.550 0.002 0.000 0.292 1032 Y C 2.583 178.325 175.900 -0.263 0.000 1.130 1032 Y CA 0.598 58.457 58.100 -0.401 0.000 1.179 1032 Y CB -0.688 37.308 38.460 -0.773 0.000 0.998 1032 Y HN 0.431 nan 8.280 nan 0.000 0.532 1033 G N -0.777 107.996 108.800 -0.045 0.000 2.284 1033 G HA2 -0.390 3.571 3.960 0.002 0.000 0.247 1033 G HA3 -0.390 3.571 3.960 0.002 0.000 0.247 1033 G C 0.732 175.836 174.900 0.340 0.000 1.012 1033 G CA 0.665 45.896 45.100 0.218 0.000 0.618 1033 G HN 0.585 nan 8.290 nan 0.000 0.521 1034 Y N -0.291 120.178 120.300 0.283 0.000 2.584 1034 Y HA 0.756 5.307 4.550 0.002 0.000 0.254 1034 Y C 0.392 176.434 175.900 0.236 0.000 1.177 1034 Y CA -0.685 57.592 58.100 0.294 0.000 1.216 1034 Y CB 0.053 38.769 38.460 0.427 0.000 1.172 1034 Y HN 0.202 nan 8.280 nan 0.000 0.529 1035 V N 1.798 121.727 119.914 0.024 0.000 2.435 1035 V HA 0.156 4.277 4.120 0.002 0.000 0.290 1035 V C -0.733 175.304 176.094 -0.095 0.000 1.030 1035 V CA -1.172 61.142 62.300 0.023 0.000 0.881 1035 V CB 1.025 32.796 31.823 -0.087 0.000 0.983 1035 V HN 0.320 nan 8.190 nan 0.000 0.445 1036 Y N 4.977 125.016 120.300 -0.435 0.000 2.465 1036 Y HA 0.474 5.025 4.550 0.002 0.000 0.331 1036 Y C -0.196 175.638 175.900 -0.110 0.000 1.102 1036 Y CA 0.233 58.049 58.100 -0.474 0.000 1.358 1036 Y CB 0.913 38.941 38.460 -0.720 0.000 1.213 1036 Y HN 0.417 nan 8.280 nan 0.000 0.525 1037 V N 5.616 125.386 119.914 -0.240 0.000 2.656 1037 V HA 0.895 5.016 4.120 0.002 0.000 0.307 1037 V C -0.645 175.402 176.094 -0.079 0.000 1.051 1037 V CA -0.506 61.775 62.300 -0.032 0.000 0.893 1037 V CB 1.284 33.106 31.823 -0.002 0.000 0.999 1037 V HN 0.935 nan 8.190 nan 0.000 0.426 1038 A N 2.678 125.535 122.820 0.061 0.000 2.594 1038 A HA 0.954 5.275 4.320 0.002 0.000 0.295 1038 A C -0.419 177.126 177.584 -0.066 0.000 1.071 1038 A CA -0.331 51.712 52.037 0.009 0.000 0.685 1038 A CB 2.218 21.333 19.000 0.192 0.000 1.285 1038 A HN 1.000 nan 8.150 nan 0.000 0.405 1039 T N -1.093 113.279 114.554 -0.305 0.000 2.856 1039 T HA 0.809 5.160 4.350 0.002 0.000 0.283 1039 T C -0.136 174.612 174.700 0.080 0.000 1.008 1039 T CA -0.118 61.845 62.100 -0.229 0.000 0.997 1039 T CB 0.975 69.392 68.868 -0.751 0.000 0.992 1039 T HN 2.029 nan 8.240 nan 0.000 0.454 1040 V N -1.433 118.683 119.914 0.338 0.000 3.160 1040 V HA 0.974 5.095 4.120 0.002 0.000 0.310 1040 V C -0.450 175.905 176.094 0.434 0.000 1.181 1040 V CA -0.952 61.590 62.300 0.404 0.000 1.047 1040 V CB 1.767 33.892 31.823 0.503 0.000 1.068 1040 V HN 1.108 nan 8.190 nan 0.000 0.441 1041 S N 1.500 117.433 115.700 0.389 0.000 2.446 1041 S HA 0.315 4.786 4.470 0.002 0.000 0.230 1041 S C 0.305 175.083 174.600 0.297 0.000 1.051 1041 S CA -0.019 58.368 58.200 0.312 0.000 1.113 1041 S CB 1.143 64.468 63.200 0.208 0.000 1.184 1041 S HN 1.052 nan 8.310 nan 0.000 0.435 1042 M N 4.051 123.774 119.600 0.204 0.000 2.106 1042 M HA -0.024 4.457 4.480 0.002 0.000 0.259 1042 M C 1.760 178.100 176.300 0.067 0.000 1.068 1042 M CA 2.628 57.946 55.300 0.029 0.000 1.100 1042 M CB -0.562 31.833 32.600 -0.341 0.000 1.351 1042 M HN 0.742 nan 8.290 nan 0.000 0.404 1043 G N -1.614 107.232 108.800 0.076 0.000 2.598 1043 G HA2 -0.227 3.734 3.960 0.002 0.000 0.215 1043 G HA3 -0.227 3.734 3.960 0.002 0.000 0.215 1043 G C 1.068 176.026 174.900 0.098 0.000 1.131 1043 G CA 0.426 45.564 45.100 0.064 0.000 0.785 1043 G HN 0.609 nan 8.290 nan 0.000 0.539 1044 Y N 0.847 121.172 120.300 0.043 0.000 2.230 1044 Y HA 0.357 4.907 4.550 0.001 0.000 0.294 1044 Y C 0.952 176.881 175.900 0.048 0.000 1.120 1044 Y CA 0.926 59.054 58.100 0.047 0.000 1.129 1044 Y CB 0.417 38.922 38.460 0.075 0.000 1.040 1044 Y HN 0.117 nan 8.280 nan 0.000 0.519 1045 S N -0.200 115.557 115.700 0.094 0.000 2.649 1045 S HA 0.307 4.778 4.470 0.002 0.000 0.274 1045 S C -0.172 174.488 174.600 0.100 0.000 1.176 1045 S CA -0.794 57.398 58.200 -0.014 0.000 0.988 1045 S CB 1.196 64.400 63.200 0.006 0.000 1.071 1045 S HN 0.343 nan 8.310 nan 0.000 0.478 1046 K N 2.538 122.912 120.400 -0.044 0.000 2.103 1046 K HA -0.096 4.225 4.320 0.002 0.000 0.204 1046 K C 1.738 178.376 176.600 0.064 0.000 1.052 1046 K CA 1.436 57.673 56.287 -0.083 0.000 0.945 1046 K CB -0.067 32.022 32.500 -0.685 0.000 0.722 1046 K HN 0.600 nan 8.250 nan 0.000 0.443 1047 Q N 1.055 120.848 119.800 -0.012 0.000 2.084 1047 Q HA -0.191 4.150 4.340 0.002 0.000 0.202 1047 Q C 2.116 178.187 176.000 0.118 0.000 0.978 1047 Q CA 1.298 57.119 55.803 0.031 0.000 0.844 1047 Q CB -0.304 28.425 28.738 -0.016 0.000 0.898 1047 Q HN 0.210 nan 8.270 nan 0.000 0.426 1048 Q N -0.181 119.721 119.800 0.169 0.000 2.079 1048 Q HA -0.154 4.187 4.340 0.002 0.000 0.200 1048 Q C 1.900 178.096 176.000 0.326 0.000 0.974 1048 Q CA 1.153 57.093 55.803 0.229 0.000 0.840 1048 Q CB -0.200 28.695 28.738 0.262 0.000 0.898 1048 Q HN 0.450 nan 8.270 nan 0.000 0.430 1049 F N 1.342 121.436 119.950 0.240 0.000 2.069 1049 F HA -0.214 4.314 4.527 0.002 0.000 0.298 1049 F C 1.996 177.966 175.800 0.283 0.000 1.113 1049 F CA 1.401 59.588 58.000 0.313 0.000 1.214 1049 F CB -0.691 38.544 39.000 0.391 0.000 0.978 1049 F HN 0.055 nan 8.300 nan 0.000 0.474 1050 L N 0.169 121.414 121.223 0.038 0.000 2.131 1050 L HA -0.220 4.121 4.340 0.002 0.000 0.210 1050 L C 2.617 179.485 176.870 -0.003 0.000 1.092 1050 L CA 1.731 56.511 54.840 -0.099 0.000 0.759 1050 L CB -0.748 41.321 42.059 0.016 0.000 0.903 1050 L HN 0.151 nan 8.230 nan 0.000 0.435 1051 K N 0.115 120.563 120.400 0.080 0.000 2.062 1051 K HA -0.122 4.199 4.320 0.002 0.000 0.205 1051 K C 2.057 178.743 176.600 0.144 0.000 1.051 1051 K CA 1.088 57.438 56.287 0.104 0.000 0.941 1051 K CB 0.083 32.652 32.500 0.115 0.000 0.719 1051 K HN 0.062 nan 8.250 nan 0.000 0.440 1052 V N 2.130 122.162 119.914 0.198 0.000 2.255 1052 V HA -0.283 3.838 4.120 0.002 0.000 0.247 1052 V C 2.394 178.623 176.094 0.224 0.000 1.051 1052 V CA 1.722 64.189 62.300 0.278 0.000 1.018 1052 V CB -0.381 31.672 31.823 0.384 0.000 0.641 1052 V HN 0.331 nan 8.190 nan 0.000 0.445 1053 L N -0.210 121.123 121.223 0.184 0.000 2.012 1053 L HA -0.244 4.097 4.340 0.002 0.000 0.210 1053 L C 2.646 179.734 176.870 0.363 0.000 1.073 1053 L CA 2.074 57.089 54.840 0.291 0.000 0.748 1053 L CB -0.731 41.401 42.059 0.121 0.000 0.891 1053 L HN 0.327 nan 8.230 nan 0.000 0.431 1054 K N 0.430 120.973 120.400 0.237 0.000 2.057 1054 K HA -0.206 4.115 4.320 0.002 0.000 0.207 1054 K C 1.913 178.590 176.600 0.129 0.000 1.049 1054 K CA 1.620 58.051 56.287 0.240 0.000 0.931 1054 K CB 0.032 32.613 32.500 0.134 0.000 0.714 1054 K HN 0.393 nan 8.250 nan 0.000 0.440 1055 E N -0.188 120.034 120.200 0.037 0.000 2.072 1055 E HA -0.133 4.218 4.350 0.002 0.000 0.190 1055 E C 1.979 178.309 176.600 -0.450 0.000 0.982 1055 E CA 0.875 57.200 56.400 -0.125 0.000 0.803 1055 E CB -0.056 29.619 29.700 -0.042 0.000 0.755 1055 E HN 0.393 nan 8.360 nan 0.000 0.453 1056 A N 1.582 124.070 122.820 -0.554 0.000 1.902 1056 A HA -0.212 4.109 4.320 0.002 0.000 0.217 1056 A C 2.129 179.568 177.584 -0.242 0.000 1.181 1056 A CA 1.302 52.980 52.037 -0.599 0.000 0.623 1056 A CB -0.319 18.597 19.000 -0.140 0.000 0.818 1056 A HN 0.105 nan 8.150 nan 0.000 0.443 1057 E N 0.582 120.711 120.200 -0.118 0.000 2.152 1057 E HA -0.123 4.228 4.350 0.002 0.000 0.192 1057 E C 2.250 178.782 176.600 -0.112 0.000 0.983 1057 E CA 1.438 57.715 56.400 -0.206 0.000 0.818 1057 E CB -0.170 29.301 29.700 -0.382 0.000 0.758 1057 E HN 0.680 nan 8.360 nan 0.000 0.467 1058 S N -0.115 115.575 115.700 -0.018 0.000 2.481 1058 S HA -0.075 4.396 4.470 0.002 0.000 0.231 1058 S C 0.882 175.499 174.600 0.030 0.000 0.996 1058 S CA -0.338 57.876 58.200 0.023 0.000 0.942 1058 S CB -0.546 62.695 63.200 0.067 0.000 0.768 1058 S HN 0.194 nan 8.310 nan 0.000 0.520 1059 F N 5.704 125.577 119.950 -0.129 0.000 2.571 1059 F HA 0.328 4.856 4.527 0.002 0.000 0.384 1059 F C -2.270 173.516 175.800 -0.022 0.000 1.058 1059 F CA -2.746 55.209 58.000 -0.075 0.000 1.200 1059 F CB 0.710 39.625 39.000 -0.141 0.000 1.077 1059 F HN 0.037 nan 8.300 nan 0.000 0.558 1060 P HA 0.295 nan 4.420 nan 0.000 0.212 1060 P C -0.230 176.753 177.300 -0.528 0.000 1.816 1060 P CA 0.243 63.097 63.100 -0.409 0.000 0.944 1060 P CB 0.082 31.639 31.700 -0.239 0.000 1.896 1061 G N 1.259 109.715 108.800 -0.573 0.000 2.490 1061 G HA2 0.453 4.414 3.960 0.002 0.000 0.308 1061 G HA3 0.453 4.414 3.960 0.002 0.000 0.308 1061 G C -3.536 171.446 174.900 0.136 0.000 1.286 1061 G CA -0.967 43.994 45.100 -0.231 0.000 0.825 1061 G HN -0.155 nan 8.290 nan 0.000 0.479 1062 P HA 0.518 nan 4.420 nan 0.000 0.284 1062 P C -0.819 176.672 177.300 0.317 0.000 1.253 1062 P CA -0.234 63.010 63.100 0.241 0.000 0.800 1062 P CB 1.810 33.603 31.700 0.156 0.000 0.961 1063 S N 1.991 117.798 115.700 0.178 0.000 2.521 1063 S HA 0.580 5.051 4.470 0.002 0.000 0.295 1063 S C -0.809 173.882 174.600 0.151 0.000 1.098 1063 S CA -0.675 57.629 58.200 0.173 0.000 0.999 1063 S CB 0.859 64.094 63.200 0.059 0.000 1.034 1063 S HN 0.391 nan 8.310 nan 0.000 0.483 1064 L N 3.969 125.315 121.223 0.204 0.000 2.376 1064 L HA 0.699 5.040 4.340 0.002 0.000 0.275 1064 L C -1.628 175.396 176.870 0.256 0.000 0.987 1064 L CA -0.584 54.375 54.840 0.198 0.000 0.828 1064 L CB 1.347 43.477 42.059 0.117 0.000 1.249 1064 L HN 0.434 nan 8.230 nan 0.000 0.409 1065 V N 6.032 126.136 119.914 0.317 0.000 2.540 1065 V HA 0.509 4.630 4.120 0.002 0.000 0.302 1065 V C -0.126 176.068 176.094 0.167 0.000 1.035 1065 V CA -0.418 62.090 62.300 0.347 0.000 0.873 1065 V CB 2.110 34.301 31.823 0.613 0.000 0.992 1065 V HN 0.553 nan 8.190 nan 0.000 0.428 1066 I N 3.904 124.542 120.570 0.112 0.000 2.418 1066 I HA 0.736 4.907 4.170 0.002 0.000 0.287 1066 I C 0.201 176.416 176.117 0.164 0.000 1.008 1066 I CA -0.576 60.768 61.300 0.074 0.000 1.104 1066 I CB 1.870 39.962 38.000 0.154 0.000 1.264 1066 I HN 0.659 nan 8.210 nan 0.000 0.438 1067 A N 5.566 128.318 122.820 -0.113 0.000 2.304 1067 A HA 0.457 4.778 4.320 0.002 0.000 0.323 1067 A C -1.108 176.315 177.584 -0.269 0.000 1.195 1067 A CA -0.401 51.464 52.037 -0.288 0.000 0.826 1067 A CB 0.489 18.849 19.000 -1.068 0.000 1.184 1067 A HN 0.643 nan 8.150 nan 0.000 0.496 1068 Y N 2.700 122.673 120.300 -0.546 0.000 2.587 1068 Y HA 0.389 4.940 4.550 0.002 0.000 0.344 1068 Y C 0.425 176.142 175.900 -0.306 0.000 1.061 1068 Y CA 0.115 57.649 58.100 -0.943 0.000 1.370 1068 Y CB 0.219 37.830 38.460 -1.415 0.000 1.163 1068 Y HN 0.770 nan 8.280 nan 0.000 0.527 1069 A N 5.383 127.831 122.820 -0.620 0.000 2.287 1069 A HA 0.494 4.815 4.320 0.002 0.000 0.317 1069 A C 0.108 177.416 177.584 -0.460 0.000 1.220 1069 A CA -0.375 51.488 52.037 -0.290 0.000 0.835 1069 A CB 0.008 18.939 19.000 -0.115 0.000 1.180 1069 A HN 0.791 nan 8.150 nan 0.000 0.500 1070 T N -0.937 113.467 114.554 -0.250 0.000 2.856 1070 T HA 0.444 4.795 4.350 0.002 0.000 0.306 1070 T C 0.126 174.768 174.700 -0.097 0.000 1.062 1070 T CA -0.278 61.730 62.100 -0.153 0.000 1.083 1070 T CB 0.873 69.735 68.868 -0.010 0.000 0.984 1070 T HN 1.473 nan 8.240 nan 0.000 0.542 1071 C N 2.755 122.014 119.300 -0.069 0.000 3.239 1071 C HA 0.484 4.945 4.460 0.002 0.000 0.329 1071 C C 1.657 176.631 174.990 -0.027 0.000 1.252 1071 C CA -0.753 58.243 59.018 -0.037 0.000 1.323 1071 C CB 0.020 27.735 27.740 -0.043 0.000 1.663 1071 C HN 1.097 nan 8.230 nan 0.000 0.487 1072 I N 1.292 121.856 120.570 -0.009 0.000 2.335 1072 I HA -0.119 4.052 4.170 0.002 0.000 0.251 1072 I C 1.557 177.657 176.117 -0.028 0.000 1.129 1072 I CA 2.193 63.486 61.300 -0.011 0.000 1.402 1072 I CB -0.575 37.427 38.000 0.003 0.000 1.069 1072 I HN 0.770 nan 8.210 nan 0.000 0.424 1073 N N 0.832 119.512 118.700 -0.033 0.000 2.453 1073 N HA -0.139 4.602 4.740 0.002 0.000 0.183 1073 N C 1.685 177.150 175.510 -0.075 0.000 1.041 1073 N CA 0.721 53.741 53.050 -0.051 0.000 0.900 1073 N CB -0.126 38.333 38.487 -0.047 0.000 0.961 1073 N HN 0.592 nan 8.380 nan 0.000 0.443 1074 Q N -0.085 119.671 119.800 -0.074 0.000 2.389 1074 Q HA 0.088 4.429 4.340 0.002 0.000 0.204 1074 Q C 0.687 176.631 176.000 -0.094 0.000 0.944 1074 Q CA 0.302 56.046 55.803 -0.098 0.000 0.908 1074 Q CB 0.496 29.193 28.738 -0.069 0.000 1.002 1074 Q HN 0.369 nan 8.270 nan 0.000 0.493 1075 G N 1.641 110.402 108.800 -0.066 0.000 2.324 1075 G HA2 -0.256 3.705 3.960 0.002 0.000 0.292 1075 G HA3 -0.256 3.705 3.960 0.002 0.000 0.292 1075 G C -0.262 174.612 174.900 -0.044 0.000 1.079 1075 G CA -0.327 44.742 45.100 -0.052 0.000 1.026 1075 G HN 0.242 nan 8.290 nan 0.000 0.506 1076 L N 0.125 121.327 121.223 -0.036 0.000 2.615 1076 L HA 0.063 4.404 4.340 0.002 0.000 0.271 1076 L C 2.135 178.992 176.870 -0.022 0.000 1.183 1076 L CA 0.237 55.059 54.840 -0.030 0.000 0.933 1076 L CB 0.366 42.417 42.059 -0.013 0.000 1.199 1076 L HN 0.537 nan 8.230 nan 0.000 0.487 1077 R N 3.537 124.022 120.500 -0.024 0.000 2.152 1077 R HA -0.101 4.240 4.340 0.002 0.000 0.232 1077 R C 1.092 177.388 176.300 -0.007 0.000 1.117 1077 R CA 1.334 57.425 56.100 -0.015 0.000 0.981 1077 R CB 0.215 30.505 30.300 -0.016 0.000 0.870 1077 R HN 0.596 nan 8.270 nan 0.000 0.451 1078 K N -0.386 120.012 120.400 -0.004 0.000 2.373 1078 K HA 0.212 4.533 4.320 0.002 0.000 0.202 1078 K C -0.266 176.336 176.600 0.004 0.000 1.025 1078 K CA 0.372 56.660 56.287 0.002 0.000 1.115 1078 K CB 1.494 33.997 32.500 0.005 0.000 0.858 1078 K HN 0.370 nan 8.250 nan 0.000 0.525 1079 G N 0.898 109.700 108.800 0.003 0.000 2.539 1079 G HA2 -0.170 3.791 3.960 0.002 0.000 0.686 1079 G HA3 -0.170 3.791 3.960 0.002 0.000 0.686 1079 G C 0.141 175.046 174.900 0.008 0.000 1.258 1079 G CA -0.897 44.206 45.100 0.006 0.000 0.846 1079 G HN -0.124 nan 8.290 nan 0.000 0.647 1080 M N 1.127 120.732 119.600 0.010 0.000 2.549 1080 M HA 0.027 4.508 4.480 0.002 0.000 0.260 1080 M C 2.478 178.787 176.300 0.015 0.000 1.076 1080 M CA 1.800 57.107 55.300 0.012 0.000 1.090 1080 M CB -0.998 31.610 32.600 0.013 0.000 1.418 1080 M HN 0.995 nan 8.290 nan 0.000 0.486 1081 G N -0.160 108.649 108.800 0.015 0.000 2.679 1081 G HA2 -0.138 3.823 3.960 0.002 0.000 0.212 1081 G HA3 -0.138 3.823 3.960 0.002 0.000 0.212 1081 G C 1.491 176.403 174.900 0.019 0.000 1.137 1081 G CA 0.350 45.460 45.100 0.016 0.000 0.787 1081 G HN 0.262 nan 8.290 nan 0.000 0.534 1082 K N 0.851 121.264 120.400 0.021 0.000 2.437 1082 K HA 0.240 4.561 4.320 0.002 0.000 0.198 1082 K C 2.136 178.761 176.600 0.041 0.000 1.024 1082 K CA -0.046 56.258 56.287 0.029 0.000 1.148 1082 K CB 0.325 32.841 32.500 0.026 0.000 0.860 1082 K HN 0.146 nan 8.250 nan 0.000 0.515 1083 S N 1.643 117.364 115.700 0.035 0.000 2.359 1083 S HA -0.180 4.291 4.470 0.002 0.000 0.223 1083 S C 1.754 176.393 174.600 0.064 0.000 1.039 1083 S CA 1.313 59.542 58.200 0.049 0.000 1.042 1083 S CB 0.017 63.230 63.200 0.020 0.000 0.915 1083 S HN 0.355 nan 8.310 nan 0.000 0.439 1084 Q N 0.673 120.495 119.800 0.036 0.000 2.096 1084 Q HA -0.162 4.179 4.340 0.002 0.000 0.204 1084 Q C 1.879 177.916 176.000 0.061 0.000 0.982 1084 Q CA 1.440 57.265 55.803 0.036 0.000 0.850 1084 Q CB -0.716 28.030 28.738 0.013 0.000 0.901 1084 Q HN 0.531 nan 8.270 nan 0.000 0.422 1085 D N -0.118 120.316 120.400 0.058 0.000 2.144 1085 D HA -0.106 4.535 4.640 0.002 0.000 0.199 1085 D C 1.887 178.249 176.300 0.104 0.000 0.984 1085 D CA 0.655 54.697 54.000 0.069 0.000 0.834 1085 D CB 0.224 41.057 40.800 0.054 0.000 0.955 1085 D HN -0.006 nan 8.370 nan 0.000 0.465 1086 V N 0.175 120.165 119.914 0.127 0.000 2.358 1086 V HA -0.227 3.894 4.120 0.002 0.000 0.246 1086 V C 2.452 178.676 176.094 0.218 0.000 1.047 1086 V CA 1.517 63.941 62.300 0.206 0.000 1.035 1086 V CB -0.401 31.538 31.823 0.193 0.000 0.658 1086 V HN 0.298 nan 8.190 nan 0.000 0.452 1087 M N -0.094 119.612 119.600 0.178 0.000 2.213 1087 M HA -0.206 4.275 4.480 0.002 0.000 0.263 1087 M C 2.116 178.461 176.300 0.075 0.000 1.062 1087 M CA 1.986 57.358 55.300 0.121 0.000 1.105 1087 M CB -0.687 32.011 32.600 0.163 0.000 1.385 1087 M HN 0.470 nan 8.290 nan 0.000 0.417 1088 N N -0.561 118.211 118.700 0.120 0.000 2.080 1088 N HA -0.141 4.600 4.740 0.002 0.000 0.189 1088 N C 1.291 176.869 175.510 0.113 0.000 1.036 1088 N CA 1.678 54.834 53.050 0.175 0.000 0.846 1088 N CB 0.148 38.711 38.487 0.127 0.000 1.015 1088 N HN 0.239 nan 8.380 nan 0.000 0.423 1089 T N 0.435 115.025 114.554 0.060 0.000 2.915 1089 T HA -0.007 4.344 4.350 0.002 0.000 0.269 1089 T C 1.854 176.363 174.700 -0.318 0.000 1.071 1089 T CA 0.910 62.998 62.100 -0.021 0.000 1.132 1089 T CB -0.249 68.697 68.868 0.130 0.000 0.878 1089 T HN 0.393 nan 8.240 nan 0.000 0.479 1090 A N 0.887 123.453 122.820 -0.424 0.000 1.972 1090 A HA -0.035 4.286 4.320 0.002 0.000 0.219 1090 A C 2.504 179.848 177.584 -0.400 0.000 1.169 1090 A CA 1.272 52.796 52.037 -0.855 0.000 0.635 1090 A CB -0.749 17.756 19.000 -0.825 0.000 0.810 1090 A HN 0.387 nan 8.150 nan 0.000 0.446 1091 V N -0.248 119.518 119.914 -0.246 0.000 2.331 1091 V HA -0.172 3.949 4.120 0.002 0.000 0.242 1091 V C 2.338 178.271 176.094 -0.268 0.000 1.034 1091 V CA 1.980 64.120 62.300 -0.267 0.000 1.027 1091 V CB -0.648 30.823 31.823 -0.586 0.000 0.667 1091 V HN 0.489 nan 8.190 nan 0.000 0.457 1092 K N 1.186 121.491 120.400 -0.159 0.000 2.113 1092 K HA -0.185 4.136 4.320 0.002 0.000 0.208 1092 K C 2.258 178.776 176.600 -0.136 0.000 1.047 1092 K CA 1.856 58.097 56.287 -0.076 0.000 0.928 1092 K CB -0.382 32.141 32.500 0.037 0.000 0.716 1092 K HN 0.627 nan 8.250 nan 0.000 0.446 1093 S N -0.581 115.008 115.700 -0.185 0.000 2.507 1093 S HA -0.007 4.464 4.470 0.002 0.000 0.235 1093 S C 1.532 176.030 174.600 -0.171 0.000 0.988 1093 S CA 0.808 58.898 58.200 -0.184 0.000 0.944 1093 S CB -0.076 62.960 63.200 -0.273 0.000 0.762 1093 S HN 0.488 nan 8.310 nan 0.000 0.526 1094 G N 0.225 108.915 108.800 -0.183 0.000 2.179 1094 G HA2 -0.407 3.554 3.960 0.002 0.000 0.260 1094 G HA3 -0.407 3.554 3.960 0.002 0.000 0.260 1094 G C 0.354 175.239 174.900 -0.024 0.000 0.977 1094 G CA 0.460 45.473 45.100 -0.144 0.000 0.641 1094 G HN 0.621 nan 8.290 nan 0.000 0.533 1095 Y N -0.493 119.689 120.300 -0.197 0.000 2.181 1095 Y HA 0.140 4.691 4.550 0.002 0.000 0.288 1095 Y C 1.363 177.278 175.900 0.024 0.000 1.146 1095 Y CA 2.033 60.056 58.100 -0.129 0.000 1.164 1095 Y CB 0.180 38.430 38.460 -0.350 0.000 0.982 1095 Y HN 0.374 nan 8.280 nan 0.000 0.515 1096 W N 4.480 125.706 121.300 -0.123 0.000 2.433 1096 W HA 0.311 4.971 4.660 0.001 0.000 0.288 1096 W C -2.995 173.466 176.519 -0.096 0.000 0.986 1096 W CA -2.234 55.035 57.345 -0.128 0.000 1.680 1096 W CB 0.874 30.227 29.460 -0.179 0.000 1.615 1096 W HN -0.037 nan 8.180 nan 0.000 0.416 1097 P HA 0.146 nan 4.420 nan 0.000 0.275 1097 P C -0.377 176.891 177.300 -0.054 0.000 1.227 1097 P CA 0.224 63.369 63.100 0.074 0.000 0.781 1097 P CB 1.839 33.729 31.700 0.318 0.000 0.906 1098 L N 4.094 125.312 121.223 -0.009 0.000 2.325 1098 L HA 0.596 4.937 4.340 0.002 0.000 0.279 1098 L C 0.199 177.072 176.870 0.005 0.000 1.054 1098 L CA -0.604 54.174 54.840 -0.104 0.000 0.804 1098 L CB 0.373 42.444 42.059 0.019 0.000 1.200 1098 L HN 0.460 nan 8.230 nan 0.000 0.436 1099 F N 0.126 120.046 119.950 -0.050 0.000 2.741 1099 F HA 0.684 5.212 4.527 0.001 0.000 0.311 1099 F C -1.061 174.629 175.800 -0.184 0.000 1.149 1099 F CA -1.257 56.616 58.000 -0.210 0.000 0.930 1099 F CB 1.548 40.388 39.000 -0.266 0.000 1.312 1099 F HN 0.213 nan 8.300 nan 0.000 0.450 1100 R N 0.909 121.363 120.500 -0.076 0.000 2.538 1100 R HA 0.395 4.736 4.340 0.002 0.000 0.292 1100 R C -2.332 173.820 176.300 -0.247 0.000 1.008 1100 R CA -0.946 55.058 56.100 -0.159 0.000 0.896 1100 R CB 2.554 32.775 30.300 -0.132 0.000 1.187 1100 R HN 0.855 nan 8.270 nan 0.000 0.440 1101 Y N 2.720 122.780 120.300 -0.400 0.000 2.402 1101 Y HA 0.268 4.819 4.550 0.001 0.000 0.332 1101 Y C -1.017 174.531 175.900 -0.586 0.000 0.960 1101 Y CA -0.602 57.317 58.100 -0.301 0.000 1.228 1101 Y CB 1.033 39.443 38.460 -0.084 0.000 1.120 1101 Y HN 0.449 nan 8.280 nan 0.000 0.491 1102 D N 8.541 128.529 120.400 -0.686 0.000 2.453 1102 D HA 0.326 4.967 4.640 0.002 0.000 0.238 1102 D C -2.252 173.741 176.300 -0.511 0.000 1.088 1102 D CA -2.593 51.107 54.000 -0.500 0.000 0.854 1102 D CB 2.362 43.057 40.800 -0.174 0.000 1.076 1102 D HN 0.302 nan 8.370 nan 0.000 0.533 1103 P HA -0.122 nan 4.420 nan 0.000 0.219 1103 P C 1.253 178.398 177.300 -0.258 0.000 1.146 1103 P CA 0.892 63.702 63.100 -0.483 0.000 0.808 1103 P CB 0.119 31.332 31.700 -0.812 0.000 0.779 1104 R N -0.268 120.187 120.500 -0.074 0.000 2.189 1104 R HA -0.011 4.330 4.340 0.002 0.000 0.223 1104 R C 1.892 178.256 176.300 0.108 0.000 1.092 1104 R CA 1.010 57.239 56.100 0.215 0.000 0.989 1104 R CB -1.503 28.979 30.300 0.302 0.000 0.876 1104 R HN 0.253 nan 8.270 nan 0.000 0.457 1105 L N 1.105 122.303 121.223 -0.041 0.000 2.056 1105 L HA -0.065 4.276 4.340 0.002 0.000 0.207 1105 L C 2.891 179.685 176.870 -0.126 0.000 1.078 1105 L CA 1.286 56.063 54.840 -0.105 0.000 0.749 1105 L CB -0.663 41.265 42.059 -0.217 0.000 0.901 1105 L HN 0.289 nan 8.230 nan 0.000 0.433 1106 A N 0.299 123.028 122.820 -0.152 0.000 1.908 1106 A HA -0.230 4.091 4.320 0.002 0.000 0.218 1106 A C 2.499 180.206 177.584 0.206 0.000 1.181 1106 A CA 1.878 53.898 52.037 -0.028 0.000 0.627 1106 A CB -0.699 18.351 19.000 0.083 0.000 0.818 1106 A HN 0.422 nan 8.150 nan 0.000 0.445 1107 A N -0.827 122.147 122.820 0.256 0.000 2.019 1107 A HA -0.158 4.163 4.320 0.002 0.000 0.219 1107 A C 1.889 179.574 177.584 0.167 0.000 1.164 1107 A CA 1.442 53.633 52.037 0.257 0.000 0.644 1107 A CB -0.413 18.794 19.000 0.345 0.000 0.805 1107 A HN 0.694 nan 8.150 nan 0.000 0.449 1108 Q N -1.373 118.504 119.800 0.128 0.000 2.280 1108 Q HA 0.306 4.647 4.340 0.002 0.000 0.202 1108 Q C 0.934 176.997 176.000 0.104 0.000 0.903 1108 Q CA 0.233 56.092 55.803 0.094 0.000 0.948 1108 Q CB 0.173 28.946 28.738 0.058 0.000 1.058 1108 Q HN 0.809 nan 8.270 nan 0.000 0.493 1109 G N 1.624 110.530 108.800 0.177 0.000 2.143 1109 G HA2 -0.299 3.662 3.960 0.002 0.000 0.248 1109 G HA3 -0.299 3.662 3.960 0.002 0.000 0.248 1109 G C -0.143 174.912 174.900 0.258 0.000 0.991 1109 G CA 0.312 45.587 45.100 0.291 0.000 0.689 1109 G HN 0.254 nan 8.290 nan 0.000 0.522 1110 K N -0.212 120.147 120.400 -0.068 0.000 2.221 1110 K HA 0.490 4.811 4.320 0.002 0.000 0.243 1110 K C 0.108 176.149 176.600 -0.931 0.000 0.968 1110 K CA -1.094 55.012 56.287 -0.302 0.000 0.846 1110 K CB 0.788 33.187 32.500 -0.170 0.000 1.141 1110 K HN 0.062 nan 8.250 nan 0.000 0.434 1111 N N 2.768 120.990 118.700 -0.798 0.000 2.447 1111 N HA 0.006 4.747 4.740 0.002 0.000 0.263 1111 N C -1.727 173.427 175.510 -0.593 0.000 1.226 1111 N CA -1.604 50.939 53.050 -0.845 0.000 0.906 1111 N CB 0.716 39.007 38.487 -0.328 0.000 1.060 1111 N HN 0.326 nan 8.380 nan 0.000 0.468 1112 P HA -0.059 nan 4.420 nan 0.000 0.222 1112 P C 0.192 177.149 177.300 -0.571 0.000 1.153 1112 P CA 0.574 63.266 63.100 -0.680 0.000 0.798 1112 P CB 0.087 31.163 31.700 -1.040 0.000 0.796 1113 F N 1.778 121.446 119.950 -0.469 0.000 2.420 1113 F HA 0.311 4.839 4.527 0.001 0.000 0.352 1113 F C 0.097 175.788 175.800 -0.182 0.000 1.108 1113 F CA -0.228 57.636 58.000 -0.227 0.000 1.162 1113 F CB 0.570 39.511 39.000 -0.098 0.000 1.118 1113 F HN -0.178 nan 8.300 nan 0.000 0.510 1114 Q N 6.270 125.518 119.800 -0.920 0.000 2.304 1114 Q HA 0.417 4.758 4.340 0.002 0.000 0.270 1114 Q C -1.339 174.236 176.000 -0.707 0.000 1.035 1114 Q CA -0.712 54.731 55.803 -0.599 0.000 0.781 1114 Q CB 2.769 31.312 28.738 -0.325 0.000 1.261 1114 Q HN 0.668 nan 8.270 nan 0.000 0.444 1115 L N 2.977 123.947 121.223 -0.421 0.000 2.265 1115 L HA 0.274 4.615 4.340 0.002 0.000 0.288 1115 L C -0.235 176.606 176.870 -0.049 0.000 1.058 1115 L CA -0.041 54.671 54.840 -0.215 0.000 0.809 1115 L CB 0.817 42.811 42.059 -0.109 0.000 1.179 1115 L HN 0.774 nan 8.230 nan 0.000 0.429 1116 D N 1.163 121.579 120.400 0.027 0.000 2.369 1116 D HA 0.066 4.707 4.640 0.002 0.000 0.211 1116 D C 0.539 176.945 176.300 0.176 0.000 1.077 1116 D CA 0.315 54.372 54.000 0.095 0.000 0.842 1116 D CB 0.687 41.551 40.800 0.108 0.000 0.947 1116 D HN 0.534 nan 8.370 nan 0.000 0.509 1117 S N -0.884 114.917 115.700 0.168 0.000 2.715 1117 S HA 0.689 5.160 4.470 0.002 0.000 0.307 1117 S C -0.129 174.628 174.600 0.262 0.000 1.119 1117 S CA -0.825 57.467 58.200 0.152 0.000 0.937 1117 S CB 2.577 65.707 63.200 -0.117 0.000 1.150 1117 S HN -0.236 nan 8.310 nan 0.000 0.521 1118 K N 0.179 120.679 120.400 0.166 0.000 2.288 1118 K HA 0.781 5.102 4.320 0.002 0.000 0.234 1118 K C -0.050 176.410 176.600 -0.233 0.000 1.037 1118 K CA -0.695 55.674 56.287 0.136 0.000 0.914 1118 K CB 0.702 33.246 32.500 0.074 0.000 1.197 1118 K HN 0.842 nan 8.250 nan 0.000 0.471 1119 A N 1.709 124.316 122.820 -0.355 0.000 2.520 1119 A HA 0.157 4.478 4.320 0.002 0.000 0.235 1119 A C -2.123 175.080 177.584 -0.634 0.000 1.065 1119 A CA -0.747 50.773 52.037 -0.862 0.000 0.764 1119 A CB -0.848 17.995 19.000 -0.261 0.000 1.002 1119 A HN 0.380 nan 8.150 nan 0.000 0.502 1120 P HA -0.022 nan 4.420 nan 0.000 0.260 1120 P C -0.099 177.082 177.300 -0.199 0.000 1.172 1120 P CA 0.589 63.482 63.100 -0.345 0.000 0.760 1120 P CB 0.458 32.008 31.700 -0.250 0.000 0.773 1121 D N 2.535 122.850 120.400 -0.142 0.000 2.340 1121 D HA 0.041 4.682 4.640 0.002 0.000 0.220 1121 D C 1.335 177.603 176.300 -0.054 0.000 1.039 1121 D CA 0.548 54.498 54.000 -0.082 0.000 0.866 1121 D CB -0.489 40.278 40.800 -0.056 0.000 0.913 1121 D HN 0.540 nan 8.370 nan 0.000 0.523 1122 G N 0.228 108.995 108.800 -0.055 0.000 2.175 1122 G HA2 -0.323 3.638 3.960 0.002 0.000 0.244 1122 G HA3 -0.323 3.638 3.960 0.002 0.000 0.244 1122 G C 0.962 175.853 174.900 -0.016 0.000 0.982 1122 G CA 0.580 45.662 45.100 -0.030 0.000 0.641 1122 G HN 0.703 nan 8.290 nan 0.000 0.527 1123 S N 0.080 115.768 115.700 -0.020 0.000 2.605 1123 S HA 0.294 4.765 4.470 0.002 0.000 0.217 1123 S C 2.255 176.871 174.600 0.026 0.000 0.958 1123 S CA 1.134 59.337 58.200 0.004 0.000 0.919 1123 S CB 0.163 63.368 63.200 0.009 0.000 0.780 1123 S HN 1.260 nan 8.310 nan 0.000 0.507 1124 V N 0.534 120.453 119.914 0.008 0.000 2.324 1124 V HA -0.237 3.884 4.120 0.002 0.000 0.250 1124 V C 2.660 178.791 176.094 0.061 0.000 1.060 1124 V CA 2.205 64.532 62.300 0.045 0.000 1.042 1124 V CB -1.393 30.455 31.823 0.041 0.000 0.650 1124 V HN 0.578 nan 8.190 nan 0.000 0.450 1125 E N 1.560 121.773 120.200 0.023 0.000 2.085 1125 E HA -0.262 4.089 4.350 0.002 0.000 0.194 1125 E C 2.271 178.870 176.600 -0.001 0.000 0.994 1125 E CA 1.892 58.292 56.400 -0.001 0.000 0.801 1125 E CB -0.424 29.278 29.700 0.003 0.000 0.743 1125 E HN 0.848 nan 8.360 nan 0.000 0.453 1126 E N 0.133 120.349 120.200 0.026 0.000 2.085 1126 E HA -0.242 4.109 4.350 0.002 0.000 0.194 1126 E C 2.201 178.814 176.600 0.021 0.000 0.994 1126 E CA 1.256 57.672 56.400 0.026 0.000 0.801 1126 E CB -0.953 28.765 29.700 0.030 0.000 0.743 1126 E HN 0.429 nan 8.360 nan 0.000 0.453 1127 F N 2.425 122.318 119.950 -0.094 0.000 2.046 1127 F HA -0.174 4.353 4.527 0.000 0.000 0.297 1127 F C 2.331 178.034 175.800 -0.160 0.000 1.123 1127 F CA 1.644 59.563 58.000 -0.135 0.000 1.199 1127 F CB -0.395 38.492 39.000 -0.189 0.000 0.972 1127 F HN -0.107 nan 8.300 nan 0.000 0.474 1128 L N -0.354 120.652 121.223 -0.361 0.000 2.012 1128 L HA -0.277 4.064 4.340 0.002 0.000 0.210 1128 L C 2.466 179.234 176.870 -0.170 0.000 1.073 1128 L CA 1.290 55.815 54.840 -0.525 0.000 0.748 1128 L CB -0.756 40.923 42.059 -0.633 0.000 0.891 1128 L HN 0.231 nan 8.230 nan 0.000 0.431 1129 M N -0.554 118.986 119.600 -0.100 0.000 2.630 1129 M HA -0.020 4.461 4.480 0.002 0.000 0.254 1129 M C 2.052 178.334 176.300 -0.031 0.000 1.092 1129 M CA 0.873 56.161 55.300 -0.021 0.000 1.087 1129 M CB -1.050 31.546 32.600 -0.007 0.000 1.453 1129 M HN 0.257 nan 8.290 nan 0.000 0.509 1130 A N 0.124 122.893 122.820 -0.086 0.000 2.238 1130 A HA 0.070 4.391 4.320 0.002 0.000 0.208 1130 A C 0.511 178.044 177.584 -0.085 0.000 1.177 1130 A CA 0.183 52.173 52.037 -0.079 0.000 0.804 1130 A CB -0.099 18.848 19.000 -0.087 0.000 0.823 1130 A HN 0.536 nan 8.150 nan 0.000 0.482 1131 Q N -0.938 118.827 119.800 -0.058 0.000 2.337 1131 Q HA 0.282 4.623 4.340 0.002 0.000 0.270 1131 Q C 0.277 176.276 176.000 -0.002 0.000 1.043 1131 Q CA -0.650 55.129 55.803 -0.039 0.000 0.794 1131 Q CB 1.424 30.127 28.738 -0.059 0.000 1.281 1131 Q HN 0.392 nan 8.270 nan 0.000 0.446 1132 N N 1.980 120.656 118.700 -0.039 0.000 2.205 1132 N HA -0.202 4.539 4.740 0.002 0.000 0.186 1132 N C 1.315 176.774 175.510 -0.086 0.000 1.015 1132 N CA 1.218 54.243 53.050 -0.041 0.000 0.862 1132 N CB 0.312 38.771 38.487 -0.046 0.000 0.986 1132 N HN 0.550 nan 8.380 nan 0.000 0.429 1133 R N -0.919 119.468 120.500 -0.187 0.000 2.241 1133 R HA -0.084 4.257 4.340 0.002 0.000 0.224 1133 R C 1.097 177.115 176.300 -0.470 0.000 1.101 1133 R CA 1.207 57.095 56.100 -0.353 0.000 0.995 1133 R CB -0.431 29.572 30.300 -0.496 0.000 0.870 1133 R HN 0.253 nan 8.270 nan 0.000 0.463 1134 F N 0.446 120.372 119.950 -0.041 0.000 2.514 1134 F HA 0.375 4.903 4.527 0.002 0.000 0.281 1134 F C 2.641 178.432 175.800 -0.014 0.000 1.060 1134 F CA 0.235 58.220 58.000 -0.024 0.000 1.397 1134 F CB -0.132 38.844 39.000 -0.041 0.000 1.129 1134 F HN 0.036 nan 8.300 nan 0.000 0.620 1135 A N 0.591 123.500 122.820 0.148 0.000 2.019 1135 A HA -0.114 4.207 4.320 0.002 0.000 0.219 1135 A C 2.125 179.748 177.584 0.065 0.000 1.164 1135 A CA 1.923 54.013 52.037 0.088 0.000 0.644 1135 A CB -1.267 17.763 19.000 0.050 0.000 0.805 1135 A HN 0.243 nan 8.150 nan 0.000 0.449 1136 V N -1.635 118.304 119.914 0.042 0.000 2.515 1136 V HA -0.174 3.947 4.120 0.002 0.000 0.250 1136 V C 2.274 178.419 176.094 0.085 0.000 1.058 1136 V CA 1.476 63.801 62.300 0.042 0.000 1.064 1136 V CB -1.028 30.807 31.823 0.021 0.000 0.675 1136 V HN 0.501 nan 8.190 nan 0.000 0.461 1137 L N 0.410 121.690 121.223 0.095 0.000 2.056 1137 L HA -0.160 4.181 4.340 0.002 0.000 0.207 1137 L C 2.455 179.427 176.870 0.170 0.000 1.078 1137 L CA 2.476 57.401 54.840 0.142 0.000 0.749 1137 L CB -0.458 41.660 42.059 0.099 0.000 0.901 1137 L HN 0.414 nan 8.230 nan 0.000 0.433 1138 D N -0.253 120.223 120.400 0.127 0.000 2.178 1138 D HA -0.191 4.450 4.640 0.002 0.000 0.201 1138 D C 2.240 178.594 176.300 0.089 0.000 0.980 1138 D CA 1.168 55.231 54.000 0.106 0.000 0.842 1138 D CB 0.201 41.050 40.800 0.082 0.000 0.948 1138 D HN 0.159 nan 8.370 nan 0.000 0.472 1139 R N -0.745 119.803 120.500 0.080 0.000 2.200 1139 R HA 0.104 4.445 4.340 0.002 0.000 0.208 1139 R C 1.796 178.125 176.300 0.047 0.000 1.033 1139 R CA 1.022 57.154 56.100 0.052 0.000 1.000 1139 R CB 0.265 30.587 30.300 0.037 0.000 0.906 1139 R HN 0.132 nan 8.270 nan 0.000 0.462 1140 S N -0.511 115.244 115.700 0.091 0.000 2.527 1140 S HA 0.176 4.647 4.470 0.002 0.000 0.227 1140 S C 0.113 174.696 174.600 -0.028 0.000 1.059 1140 S CA 0.049 58.268 58.200 0.032 0.000 0.919 1140 S CB 0.464 63.730 63.200 0.112 0.000 0.805 1140 S HN 0.071 nan 8.310 nan 0.000 0.500 1141 F N 1.706 121.669 119.950 0.023 0.000 2.646 1141 F HA 0.435 4.962 4.527 0.001 0.000 0.336 1141 F C -2.432 173.386 175.800 0.030 0.000 1.437 1141 F CA -2.427 55.589 58.000 0.026 0.000 1.142 1141 F CB 1.152 40.171 39.000 0.031 0.000 1.530 1141 F HN -0.066 nan 8.300 nan 0.000 0.591 1142 P HA -0.187 nan 4.420 nan 0.000 0.216 1142 P C 1.197 178.560 177.300 0.104 0.000 1.150 1142 P CA 1.704 64.870 63.100 0.110 0.000 0.843 1142 P CB 0.386 32.124 31.700 0.065 0.000 0.787 1143 E N -0.685 119.582 120.200 0.110 0.000 2.072 1143 E HA -0.149 4.202 4.350 0.002 0.000 0.190 1143 E C 1.677 178.333 176.600 0.094 0.000 0.982 1143 E CA 0.953 57.406 56.400 0.089 0.000 0.803 1143 E CB -0.457 29.292 29.700 0.081 0.000 0.755 1143 E HN 0.216 nan 8.360 nan 0.000 0.453 1144 D N 0.525 121.002 120.400 0.129 0.000 2.144 1144 D HA -0.074 4.567 4.640 0.002 0.000 0.200 1144 D C 1.883 178.227 176.300 0.073 0.000 0.978 1144 D CA 1.167 55.220 54.000 0.089 0.000 0.833 1144 D CB -0.210 40.628 40.800 0.064 0.000 0.961 1144 D HN 0.143 nan 8.370 nan 0.000 0.470 1145 A N 1.658 124.538 122.820 0.099 0.000 1.877 1145 A HA -0.227 4.094 4.320 0.002 0.000 0.216 1145 A C 2.035 179.666 177.584 0.079 0.000 1.186 1145 A CA 2.177 54.272 52.037 0.096 0.000 0.620 1145 A CB -0.567 18.503 19.000 0.117 0.000 0.822 1145 A HN 0.362 nan 8.150 nan 0.000 0.443 1146 K N -0.503 119.938 120.400 0.069 0.000 2.148 1146 K HA -0.118 4.203 4.320 0.002 0.000 0.204 1146 K C 2.005 178.631 176.600 0.044 0.000 1.050 1146 K CA 1.317 57.634 56.287 0.051 0.000 0.942 1146 K CB -0.302 32.224 32.500 0.044 0.000 0.724 1146 K HN 0.391 nan 8.250 nan 0.000 0.446 1147 R N 0.800 121.328 120.500 0.046 0.000 2.073 1147 R HA 0.014 4.355 4.340 0.002 0.000 0.234 1147 R C 2.496 178.824 176.300 0.046 0.000 1.134 1147 R CA 1.468 57.590 56.100 0.038 0.000 0.952 1147 R CB -0.431 29.891 30.300 0.036 0.000 0.850 1147 R HN 0.182 nan 8.270 nan 0.000 0.433 1148 L N 0.089 121.347 121.223 0.058 0.000 2.141 1148 L HA -0.117 4.224 4.340 0.002 0.000 0.209 1148 L C 2.507 179.424 176.870 0.079 0.000 1.094 1148 L CA 1.200 56.085 54.840 0.075 0.000 0.763 1148 L CB -0.247 41.864 42.059 0.087 0.000 0.908 1148 L HN 0.135 nan 8.230 nan 0.000 0.437 1149 R N -0.217 120.319 120.500 0.060 0.000 2.090 1149 R HA -0.063 4.278 4.340 0.002 0.000 0.228 1149 R C 2.392 178.711 176.300 0.032 0.000 1.110 1149 R CA 1.171 57.284 56.100 0.022 0.000 0.973 1149 R CB -0.369 29.930 30.300 -0.002 0.000 0.869 1149 R HN 0.322 nan 8.270 nan 0.000 0.440 1150 A N 0.952 123.796 122.820 0.040 0.000 1.930 1150 A HA -0.204 4.117 4.320 0.002 0.000 0.217 1150 A C 2.079 179.706 177.584 0.072 0.000 1.175 1150 A CA 1.073 53.137 52.037 0.044 0.000 0.627 1150 A CB -0.374 18.642 19.000 0.025 0.000 0.815 1150 A HN 0.327 nan 8.150 nan 0.000 0.443 1151 Q N -0.283 119.561 119.800 0.074 0.000 2.084 1151 Q HA -0.129 4.212 4.340 0.002 0.000 0.202 1151 Q C 1.939 178.018 176.000 0.131 0.000 0.978 1151 Q CA 1.838 57.706 55.803 0.108 0.000 0.844 1151 Q CB -0.221 28.570 28.738 0.088 0.000 0.898 1151 Q HN 0.383 nan 8.270 nan 0.000 0.426 1152 V N 0.871 120.848 119.914 0.106 0.000 2.287 1152 V HA -0.310 3.811 4.120 0.002 0.000 0.248 1152 V C 2.329 178.481 176.094 0.098 0.000 1.053 1152 V CA 1.952 64.317 62.300 0.108 0.000 1.027 1152 V CB -0.959 30.932 31.823 0.112 0.000 0.646 1152 V HN 0.557 nan 8.190 nan 0.000 0.447 1153 A N -1.512 121.363 122.820 0.091 0.000 1.972 1153 A HA -0.286 4.035 4.320 0.002 0.000 0.219 1153 A C 2.215 179.859 177.584 0.099 0.000 1.169 1153 A CA 1.967 54.051 52.037 0.079 0.000 0.635 1153 A CB -0.861 18.177 19.000 0.064 0.000 0.810 1153 A HN 0.751 nan 8.150 nan 0.000 0.446 1154 H N -0.473 118.609 119.070 0.021 0.000 2.357 1154 H HA -0.070 4.486 4.556 0.001 0.000 0.301 1154 H C 1.956 177.294 175.328 0.016 0.000 1.082 1154 H CA 1.649 57.707 56.048 0.016 0.000 1.342 1154 H CB 0.124 29.894 29.762 0.015 0.000 1.389 1154 H HN 0.639 nan 8.280 nan 0.000 0.511 1155 E N 0.381 120.565 120.200 -0.028 0.000 2.077 1155 E HA -0.174 4.177 4.350 0.002 0.000 0.193 1155 E C 2.460 179.006 176.600 -0.089 0.000 0.989 1155 E CA 1.396 57.743 56.400 -0.089 0.000 0.800 1155 E CB -0.011 29.683 29.700 -0.011 0.000 0.746 1155 E HN 0.466 nan 8.360 nan 0.000 0.452 1156 L N -0.235 120.967 121.223 -0.034 0.000 2.156 1156 L HA -0.000 4.341 4.340 0.002 0.000 0.208 1156 L C 1.860 178.733 176.870 0.005 0.000 1.095 1156 L CA 1.839 56.670 54.840 -0.015 0.000 0.770 1156 L CB -0.556 41.507 42.059 0.005 0.000 0.914 1156 L HN -0.110 nan 8.230 nan 0.000 0.439 1157 D N 0.401 120.786 120.400 -0.026 0.000 2.104 1157 D HA -0.186 4.455 4.640 0.002 0.000 0.194 1157 D C 1.988 178.279 176.300 -0.016 0.000 0.994 1157 D CA 1.763 55.756 54.000 -0.011 0.000 0.830 1157 D CB -0.040 40.752 40.800 -0.014 0.000 0.959 1157 D HN 0.160 nan 8.370 nan 0.000 0.452 1158 V N 0.153 119.990 119.914 -0.128 0.000 2.270 1158 V HA -0.185 3.936 4.120 0.002 0.000 0.245 1158 V C 2.631 178.674 176.094 -0.085 0.000 1.043 1158 V CA 2.008 64.221 62.300 -0.144 0.000 1.014 1158 V CB -0.609 31.049 31.823 -0.275 0.000 0.645 1158 V HN 0.201 nan 8.190 nan 0.000 0.447 1159 R N -0.629 119.821 120.500 -0.082 0.000 2.083 1159 R HA -0.228 4.113 4.340 0.002 0.000 0.237 1159 R C 2.222 178.489 176.300 -0.054 0.000 1.137 1159 R CA 2.186 58.235 56.100 -0.084 0.000 0.951 1159 R CB -0.520 29.732 30.300 -0.080 0.000 0.851 1159 R HN 0.434 nan 8.270 nan 0.000 0.434 1160 F N 1.368 121.264 119.950 -0.089 0.000 2.126 1160 F HA -0.170 4.359 4.527 0.003 0.000 0.299 1160 F C 1.947 177.719 175.800 -0.048 0.000 1.096 1160 F CA 1.814 59.780 58.000 -0.056 0.000 1.255 1160 F CB 0.002 38.980 39.000 -0.037 0.000 0.997 1160 F HN -0.023 nan 8.300 nan 0.000 0.479 1161 K N -0.132 120.320 120.400 0.087 0.000 2.103 1161 K HA -0.235 4.086 4.320 0.002 0.000 0.207 1161 K C 1.986 178.538 176.600 -0.079 0.000 1.048 1161 K CA 1.847 58.145 56.287 0.019 0.000 0.930 1161 K CB -0.248 32.266 32.500 0.023 0.000 0.716 1161 K HN 0.269 nan 8.250 nan 0.000 0.444 1162 E N 0.697 120.821 120.200 -0.126 0.000 2.051 1162 E HA -0.135 4.216 4.350 0.002 0.000 0.192 1162 E C 1.803 178.231 176.600 -0.287 0.000 0.991 1162 E CA 0.996 57.289 56.400 -0.179 0.000 0.799 1162 E CB 0.032 29.609 29.700 -0.205 0.000 0.748 1162 E HN 0.185 nan 8.360 nan 0.000 0.449 1163 L N 0.436 121.436 121.223 -0.373 0.000 2.131 1163 L HA -0.172 4.169 4.340 0.002 0.000 0.210 1163 L C 2.304 179.010 176.870 -0.273 0.000 1.092 1163 L CA 1.106 55.674 54.840 -0.453 0.000 0.759 1163 L CB -0.361 41.424 42.059 -0.458 0.000 0.903 1163 L HN 0.189 nan 8.230 nan 0.000 0.435 1164 E N -0.680 119.346 120.200 -0.291 0.000 2.051 1164 E HA -0.267 4.084 4.350 0.002 0.000 0.192 1164 E C 2.083 178.656 176.600 -0.046 0.000 0.991 1164 E CA 1.275 57.592 56.400 -0.139 0.000 0.799 1164 E CB -0.043 29.614 29.700 -0.072 0.000 0.748 1164 E HN 0.437 nan 8.360 nan 0.000 0.449 1165 H N 0.197 119.199 119.070 -0.113 0.000 2.428 1165 H HA 0.041 4.598 4.556 0.001 0.000 0.296 1165 H C 1.904 177.176 175.328 -0.094 0.000 1.062 1165 H CA 1.270 57.269 56.048 -0.083 0.000 1.350 1165 H CB 0.059 29.774 29.762 -0.079 0.000 1.403 1165 H HN 0.066 nan 8.280 nan 0.000 0.533 1166 M N -0.596 118.800 119.600 -0.339 0.000 2.108 1166 M HA -0.154 4.327 4.480 0.002 0.000 0.261 1166 M C 2.413 178.609 176.300 -0.172 0.000 1.066 1166 M CA 1.690 56.737 55.300 -0.423 0.000 1.107 1166 M CB -0.250 31.830 32.600 -0.866 0.000 1.356 1166 M HN 0.449 nan 8.290 nan 0.000 0.406 1167 A N -0.383 122.452 122.820 0.025 0.000 2.119 1167 A HA 0.199 4.520 4.320 0.002 0.000 0.217 1167 A C 2.086 179.652 177.584 -0.029 0.000 1.153 1167 A CA 1.421 53.538 52.037 0.133 0.000 0.692 1167 A CB -0.491 18.579 19.000 0.118 0.000 0.799 1167 A HN 0.502 nan 8.150 nan 0.000 0.458 1168 A N -1.551 121.187 122.820 -0.137 0.000 2.303 1168 A HA 0.320 4.641 4.320 0.002 0.000 0.217 1168 A C 1.294 178.771 177.584 -0.178 0.000 1.205 1168 A CA 0.779 52.763 52.037 -0.089 0.000 0.875 1168 A CB -0.433 18.616 19.000 0.083 0.000 0.910 1168 A HN 0.318 nan 8.150 nan 0.000 0.501 1169 T N 0.783 115.074 114.554 -0.439 0.000 2.856 1169 T HA 0.201 4.552 4.350 0.002 0.000 0.306 1169 T C 0.894 175.638 174.700 0.072 0.000 1.062 1169 T CA 0.715 62.661 62.100 -0.256 0.000 1.083 1169 T CB 0.191 68.880 68.868 -0.298 0.000 0.984 1169 T HN 0.607 nan 8.240 nan 0.000 0.542 1170 N N 1.254 120.029 118.700 0.125 0.000 2.170 1170 N HA 0.228 4.969 4.740 0.002 0.000 0.222 1170 N C -0.542 174.928 175.510 -0.067 0.000 1.218 1170 N CA -0.227 52.915 53.050 0.153 0.000 0.889 1170 N CB 0.068 38.606 38.487 0.085 0.000 1.083 1170 N HN 0.411 nan 8.380 nan 0.000 0.520 1171 I N 1.940 122.512 120.570 0.004 0.000 2.287 1171 I HA 0.339 4.510 4.170 0.002 0.000 0.290 1171 I C -1.085 175.050 176.117 0.030 0.000 1.069 1171 I CA -0.910 60.342 61.300 -0.079 0.000 1.237 1171 I CB -0.262 37.733 38.000 -0.007 0.000 1.418 1171 I HN 0.016 nan 8.210 nan 0.000 0.481 1172 F N 2.180 122.141 119.950 0.019 0.000 2.588 1172 F HA 0.575 5.103 4.527 0.002 0.000 0.310 1172 F C -0.200 175.637 175.800 0.062 0.000 1.082 1172 F CA -1.356 56.666 58.000 0.036 0.000 0.929 1172 F CB 0.841 39.853 39.000 0.020 0.000 1.254 1172 F HN 0.200 nan 8.300 nan 0.000 0.455 1173 E N 1.962 122.359 120.200 0.329 0.000 2.292 1173 E HA 0.114 4.465 4.350 0.002 0.000 0.265 1173 E C 0.016 176.825 176.600 0.347 0.000 1.093 1173 E CA -0.111 56.453 56.400 0.274 0.000 0.922 1173 E CB 0.952 30.814 29.700 0.269 0.000 1.001 1173 E HN 0.651 nan 8.360 nan 0.000 0.444 1174 S N 2.520 118.396 115.700 0.293 0.000 2.632 1174 S HA 0.342 4.813 4.470 0.002 0.000 0.254 1174 S C -0.605 174.232 174.600 0.396 0.000 1.291 1174 S CA -0.285 58.106 58.200 0.320 0.000 0.974 1174 S CB 0.325 63.645 63.200 0.201 0.000 1.016 1174 S HN 0.436 nan 8.310 nan 0.000 0.579 1175 F N -0.377 119.671 119.950 0.163 0.000 2.619 1175 F HA 0.663 5.191 4.527 0.002 0.000 0.308 1175 F C -1.112 174.758 175.800 0.116 0.000 1.097 1175 F CA -0.530 57.570 58.000 0.166 0.000 0.953 1175 F CB 1.354 40.474 39.000 0.201 0.000 1.287 1175 F HN 0.600 nan 8.300 nan 0.000 0.446 1176 A N 5.744 127.990 122.820 -0.957 0.000 2.456 1176 A HA 0.647 4.968 4.320 0.002 0.000 0.288 1176 A C -2.664 174.229 177.584 -1.152 0.000 1.042 1176 A CA -1.192 50.306 52.037 -0.899 0.000 0.738 1176 A CB 1.242 20.026 19.000 -0.359 0.000 1.266 1176 A HN 0.498 nan 8.150 nan 0.000 0.407 1177 P HA 0.267 nan 4.420 nan 0.000 0.221 1177 P C 0.604 177.762 177.300 -0.236 0.000 1.150 1177 P CA 1.786 64.630 63.100 -0.426 0.000 0.800 1177 P CB 0.311 31.880 31.700 -0.219 0.000 0.787 1178 A N -2.799 119.881 122.820 -0.234 0.000 2.534 1178 A HA 0.551 4.872 4.320 0.002 0.000 0.282 1178 A C -0.997 176.507 177.584 -0.134 0.000 1.016 1178 A CA -0.154 51.785 52.037 -0.163 0.000 0.551 1178 A CB -0.321 18.605 19.000 -0.124 0.000 1.560 1178 A HN 0.435 nan 8.150 nan 0.000 0.709 1179 G N -1.829 106.913 108.800 -0.097 0.000 3.162 1179 G HA2 0.679 4.640 3.960 0.002 0.000 0.599 1179 G HA3 0.679 4.640 3.960 0.002 0.000 0.599 1179 G C 0.403 175.268 174.900 -0.059 0.000 1.335 1179 G CA 1.090 46.145 45.100 -0.074 0.000 1.091 1179 G HN 3.084 nan 8.290 nan 0.000 0.570 1180 G N 2.729 111.504 108.800 -0.043 0.000 2.713 1180 G HA2 0.304 4.265 3.960 0.002 0.000 0.215 1180 G HA3 0.304 4.265 3.960 0.002 0.000 0.215 1180 G C 1.044 175.928 174.900 -0.025 0.000 1.265 1180 G CA 1.269 46.349 45.100 -0.033 0.000 1.204 1180 G HN 2.275 nan 8.290 nan 0.000 0.545 1181 K N -0.914 119.471 120.400 -0.026 0.000 11.017 1181 K HA -0.019 4.302 4.320 0.002 0.000 0.514 1181 K C 1.718 178.311 176.600 -0.011 0.000 0.416 1181 K CA 3.457 59.732 56.287 -0.020 0.000 1.853 1181 K CB -1.975 30.512 32.500 -0.022 0.000 0.797 1181 K HN 2.864 nan 8.250 nan 0.000 1.242 1182 A N 0.479 123.295 122.820 -0.006 0.000 6.215 1182 A HA -0.153 4.168 4.320 0.002 0.000 0.239 1182 A C -0.789 176.796 177.584 0.002 0.000 2.274 1182 A CA 0.947 52.983 52.037 -0.001 0.000 0.700 1182 A CB -1.424 17.574 19.000 -0.004 0.000 0.946 1182 A HN 0.578 nan 8.150 nan 0.000 0.354 1183 D N 0.881 121.282 120.400 0.002 0.000 2.264 1183 D HA 0.507 5.148 4.640 0.002 0.000 0.249 1183 D C 0.467 176.767 176.300 -0.001 0.000 1.070 1183 D CA 1.613 55.614 54.000 0.002 0.000 0.912 1183 D CB 1.210 42.011 40.800 0.002 0.000 1.193 1183 D HN 2.076 nan 8.370 nan 0.000 0.427 1184 G N 0.552 109.352 108.800 -0.000 0.000 2.770 1184 G HA2 0.195 4.156 3.960 0.002 0.000 0.686 1184 G HA3 0.195 4.156 3.960 0.002 0.000 0.686 1184 G C -0.626 174.274 174.900 0.001 0.000 1.180 1184 G CA -0.336 44.764 45.100 -0.001 0.000 0.767 1184 G HN 0.693 nan 8.290 nan 0.000 0.646 1185 S N -1.224 114.477 115.700 0.001 0.000 2.596 1185 S HA 0.900 5.371 4.470 0.002 0.000 0.270 1185 S C -1.058 173.544 174.600 0.004 0.000 1.155 1185 S CA -0.229 57.974 58.200 0.006 0.000 0.827 1185 S CB 2.323 65.528 63.200 0.008 0.000 1.130 1185 S HN 2.319 nan 8.310 nan 0.000 0.467 1186 V N 0.689 120.610 119.914 0.011 0.000 2.971 1186 V HA 0.593 4.714 4.120 0.002 0.000 0.309 1186 V C -1.357 174.742 176.094 0.007 0.000 1.130 1186 V CA -0.657 61.645 62.300 0.003 0.000 0.964 1186 V CB 2.040 33.867 31.823 0.006 0.000 1.029 1186 V HN 1.169 nan 8.190 nan 0.000 0.427 1187 D N 2.449 122.827 120.400 -0.036 0.000 2.341 1187 D HA 0.211 4.852 4.640 0.002 0.000 0.245 1187 D C 0.987 177.236 176.300 -0.085 0.000 1.106 1187 D CA 0.116 54.057 54.000 -0.098 0.000 0.905 1187 D CB 0.895 41.573 40.800 -0.204 0.000 1.202 1187 D HN 0.486 nan 8.370 nan 0.000 0.426 1188 F N 0.675 120.626 119.950 0.002 0.000 2.451 1188 F HA 0.238 4.766 4.527 0.002 0.000 0.299 1188 F C 1.665 177.471 175.800 0.009 0.000 1.101 1188 F CA 0.339 58.342 58.000 0.004 0.000 1.436 1188 F CB -0.379 38.623 39.000 0.003 0.000 1.074 1188 F HN 0.286 nan 8.300 nan 0.000 0.553 1189 G N 0.064 108.596 108.800 -0.446 0.000 3.088 1189 G HA2 0.067 4.028 3.960 0.002 0.000 0.217 1189 G HA3 0.067 4.028 3.960 0.002 0.000 0.217 1189 G C 0.142 174.971 174.900 -0.117 0.000 1.159 1189 G CA -0.406 44.558 45.100 -0.227 0.000 0.760 1189 G HN 0.356 nan 8.290 nan 0.000 0.550 1190 E N 0.532 120.669 120.200 -0.105 0.000 2.417 1190 E HA 0.334 4.685 4.350 0.002 0.000 0.261 1190 E C 1.277 177.862 176.600 -0.025 0.000 1.000 1190 E CA 0.496 56.859 56.400 -0.062 0.000 0.919 1190 E CB 0.623 30.293 29.700 -0.050 0.000 0.955 1190 E HN 0.241 nan 8.360 nan 0.000 0.455 1191 G N 2.516 111.301 108.800 -0.025 0.000 2.166 1191 G HA2 -0.349 3.612 3.960 0.002 0.000 0.260 1191 G HA3 -0.349 3.612 3.960 0.002 0.000 0.260 1191 G C 0.422 175.325 174.900 0.004 0.000 0.986 1191 G CA 0.181 45.275 45.100 -0.012 0.000 0.683 1191 G HN 0.773 nan 8.290 nan 0.000 0.527 1192 A N -0.532 122.298 122.820 0.015 0.000 2.407 1192 A HA 0.655 4.976 4.320 0.002 0.000 0.248 1192 A C 1.128 178.735 177.584 0.038 0.000 1.082 1192 A CA 1.034 53.103 52.037 0.054 0.000 0.785 1192 A CB 0.337 19.390 19.000 0.087 0.000 1.020 1192 A HN 0.380 nan 8.150 nan 0.000 0.489 1193 E N 0.138 120.387 120.200 0.081 0.000 2.208 1193 E HA 0.108 4.459 4.350 0.002 0.000 0.193 1193 E C -0.643 175.824 176.600 -0.221 0.000 0.988 1193 E CA 1.057 57.443 56.400 -0.023 0.000 0.828 1193 E CB -0.021 29.723 29.700 0.073 0.000 0.763 1193 E HN 0.616 nan 8.360 nan 0.000 0.478 1194 F N -1.396 118.560 119.950 0.010 0.000 2.640 1194 F HA 0.334 4.862 4.527 0.002 0.000 0.324 1194 F C -0.075 175.733 175.800 0.014 0.000 1.077 1194 F CA -1.576 56.430 58.000 0.010 0.000 0.965 1194 F CB 0.866 39.874 39.000 0.014 0.000 1.351 1194 F HN -0.274 nan 8.300 nan 0.000 0.487 1195 c N 0.991 119.713 118.600 0.203 0.000 2.634 1195 c HA 0.183 4.754 4.570 0.002 0.000 0.417 1195 c C 1.529 175.702 174.090 0.139 0.000 1.334 1195 c CA 0.243 56.646 56.329 0.123 0.000 1.829 1195 c CB -0.056 42.513 42.510 0.098 0.000 2.665 1195 c HN 0.887 nan 8.230 nan 0.000 0.614 1196 T N 1.213 115.837 114.554 0.115 0.000 3.040 1196 T HA 0.177 4.528 4.350 0.002 0.000 0.266 1196 T C 0.478 175.297 174.700 0.198 0.000 1.005 1196 T CA 0.235 62.441 62.100 0.177 0.000 0.906 1196 T CB -0.103 68.865 68.868 0.165 0.000 1.082 1196 T HN 0.609 nan 8.240 nan 0.000 0.531 1197 R N 2.042 122.611 120.500 0.114 0.000 2.750 1197 R HA 0.508 4.849 4.340 0.002 0.000 0.281 1197 R C -0.869 175.472 176.300 0.068 0.000 0.972 1197 R CA -0.806 55.354 56.100 0.099 0.000 0.912 1197 R CB 1.240 31.575 30.300 0.058 0.000 1.187 1197 R HN 0.231 nan 8.270 nan 0.000 0.464 1198 D N -0.647 119.788 120.400 0.058 0.000 2.478 1198 D HA 0.101 4.742 4.640 0.002 0.000 0.274 1198 D C -0.288 176.030 176.300 0.030 0.000 1.234 1198 D CA -0.359 53.665 54.000 0.041 0.000 1.069 1198 D CB 0.471 41.291 40.800 0.033 0.000 1.113 1198 D HN 0.287 nan 8.370 nan 0.000 0.571 1199 D N -1.367 119.048 120.400 0.024 0.000 2.434 1199 D HA 0.143 4.784 4.640 0.002 0.000 0.232 1199 D C -0.251 176.057 176.300 0.014 0.000 1.166 1199 D CA 0.078 54.088 54.000 0.017 0.000 0.830 1199 D CB -0.088 40.721 40.800 0.016 0.000 0.960 1199 D HN 0.201 nan 8.370 nan 0.000 0.497 1200 T N 0.385 114.948 114.554 0.014 0.000 2.912 1200 T HA 0.256 4.607 4.350 0.002 0.000 0.280 1200 T C -1.542 173.162 174.700 0.007 0.000 0.989 1200 T CA -1.600 60.506 62.100 0.010 0.000 0.995 1200 T CB 1.925 70.800 68.868 0.011 0.000 1.077 1200 T HN -0.138 nan 8.240 nan 0.000 0.531 1201 P HA 0.092 nan 4.420 nan 0.000 0.223 1201 P C 1.153 178.451 177.300 -0.003 0.000 1.151 1201 P CA 0.937 64.035 63.100 -0.003 0.000 0.787 1201 P CB 0.046 31.740 31.700 -0.010 0.000 0.788 1202 M N -2.023 117.577 119.600 -0.001 0.000 2.349 1202 M HA 0.081 4.562 4.480 0.002 0.000 0.266 1202 M C 1.916 178.224 176.300 0.013 0.000 1.076 1202 M CA 1.396 56.696 55.300 0.000 0.000 1.126 1202 M CB -0.421 32.178 32.600 -0.002 0.000 1.392 1202 M HN -0.140 nan 8.290 nan 0.000 0.440 1203 M N -0.298 119.315 119.600 0.021 0.000 2.441 1203 M HA 0.252 4.733 4.480 0.002 0.000 0.244 1203 M C 0.617 176.932 176.300 0.025 0.000 1.122 1203 M CA -0.298 55.024 55.300 0.037 0.000 1.041 1203 M CB -0.005 32.628 32.600 0.055 0.000 1.438 1203 M HN 0.102 nan 8.290 nan 0.000 0.484 1204 A N 2.115 124.942 122.820 0.012 0.000 2.511 1204 A HA 0.343 4.664 4.320 0.002 0.000 0.242 1204 A C 0.266 177.850 177.584 -0.000 0.000 1.069 1204 A CA 0.368 52.407 52.037 0.003 0.000 0.763 1204 A CB 0.302 19.301 19.000 -0.001 0.000 1.001 1204 A HN 0.319 nan 8.150 nan 0.000 0.498 1205 R N 1.548 122.043 120.500 -0.007 0.000 2.855 1205 R HA 0.408 4.749 4.340 0.002 0.000 0.266 1205 R C -2.175 174.115 176.300 -0.016 0.000 1.034 1205 R CA -1.904 54.189 56.100 -0.011 0.000 0.944 1205 R CB 0.151 30.441 30.300 -0.017 0.000 1.219 1205 R HN 0.378 nan 8.270 nan 0.000 0.474 1206 P HA -0.116 nan 4.420 nan 0.000 0.215 1206 P C 0.020 177.307 177.300 -0.022 0.000 1.157 1206 P CA 1.416 64.505 63.100 -0.018 0.000 0.874 1206 P CB 0.281 31.971 31.700 -0.017 0.000 0.790 1207 D N -1.076 119.307 120.400 -0.029 0.000 2.395 1207 D HA 0.066 4.707 4.640 0.002 0.000 0.226 1207 D C 0.512 176.789 176.300 -0.038 0.000 1.146 1207 D CA 0.244 54.224 54.000 -0.033 0.000 0.830 1207 D CB 0.081 40.858 40.800 -0.039 0.000 0.958 1207 D HN 0.267 nan 8.370 nan 0.000 0.501 1208 S N -1.414 114.266 115.700 -0.033 0.000 2.693 1208 S HA 0.616 5.087 4.470 0.002 0.000 0.276 1208 S C 1.209 175.795 174.600 -0.023 0.000 1.192 1208 S CA 0.170 58.350 58.200 -0.032 0.000 0.994 1208 S CB 2.377 65.561 63.200 -0.027 0.000 1.012 1208 S HN 0.209 nan 8.310 nan 0.000 0.550 1209 G N -0.547 108.241 108.800 -0.020 0.000 2.260 1209 G HA2 -0.160 3.801 3.960 0.002 0.000 0.179 1209 G HA3 -0.160 3.801 3.960 0.002 0.000 0.179 1209 G C -0.170 174.721 174.900 -0.016 0.000 1.002 1209 G CA -0.084 45.007 45.100 -0.015 0.000 0.677 1209 G HN 0.859 nan 8.290 nan 0.000 0.486 1210 E N 0.795 120.982 120.200 -0.022 0.000 2.408 1210 E HA 0.568 4.919 4.350 0.002 0.000 0.259 1210 E C 0.960 177.548 176.600 -0.020 0.000 1.110 1210 E CA 0.123 56.510 56.400 -0.023 0.000 0.929 1210 E CB 0.731 30.413 29.700 -0.029 0.000 0.971 1210 E HN 0.630 nan 8.360 nan 0.000 0.438 1211 A N 1.985 124.792 122.820 -0.022 0.000 2.425 1211 A HA 0.406 4.727 4.320 0.002 0.000 0.249 1211 A C -0.330 177.237 177.584 -0.028 0.000 1.084 1211 A CA -0.259 51.765 52.037 -0.021 0.000 0.781 1211 A CB -0.298 18.689 19.000 -0.022 0.000 1.019 1211 A HN 0.732 nan 8.150 nan 0.000 0.490 1212 c N 0.183 118.768 118.600 -0.024 0.000 3.306 1212 c HA 0.651 5.222 4.570 0.002 0.000 0.335 1212 c C -0.802 173.272 174.090 -0.027 0.000 1.382 1212 c CA -0.987 55.321 56.329 -0.036 0.000 1.254 1212 c CB 1.132 43.632 42.510 -0.016 0.000 1.555 1212 c HN 0.817 nan 8.230 nan 0.000 0.463 1213 D N 0.818 121.176 120.400 -0.069 0.000 2.336 1213 D HA 0.134 4.775 4.640 0.002 0.000 0.249 1213 D C 0.432 176.828 176.300 0.159 0.000 1.213 1213 D CA 0.666 54.645 54.000 -0.035 0.000 0.870 1213 D CB 1.053 41.681 40.800 -0.286 0.000 1.076 1213 D HN 0.722 nan 8.370 nan 0.000 0.483 1214 Q N 2.978 122.858 119.800 0.134 0.000 2.282 1214 Q HA 0.035 4.376 4.340 0.002 0.000 0.205 1214 Q C -0.250 175.839 176.000 0.149 0.000 0.915 1214 Q CA -0.009 55.876 55.803 0.137 0.000 0.949 1214 Q CB -0.358 28.424 28.738 0.073 0.000 1.035 1214 Q HN 0.578 nan 8.270 nan 0.000 0.484 1215 N N -0.675 118.166 118.700 0.235 0.000 2.776 1215 N HA -0.202 4.539 4.740 0.002 0.000 0.250 1215 N C -0.131 175.425 175.510 0.076 0.000 1.112 1215 N CA 0.671 53.799 53.050 0.131 0.000 0.733 1215 N CB -0.395 38.097 38.487 0.009 0.000 1.097 1215 N HN 0.258 nan 8.380 nan 0.000 0.558 1216 R N -0.511 120.039 120.500 0.085 0.000 2.393 1216 R HA 0.376 4.717 4.340 0.002 0.000 0.244 1216 R C 0.990 177.321 176.300 0.052 0.000 0.920 1216 R CA 0.775 56.906 56.100 0.052 0.000 1.076 1216 R CB 0.582 30.907 30.300 0.042 0.000 1.119 1216 R HN 0.262 nan 8.270 nan 0.000 0.524 1217 A N 0.448 123.314 122.820 0.075 0.000 2.571 1217 A HA 0.469 4.790 4.320 0.002 0.000 0.274 1217 A C 0.612 178.238 177.584 0.071 0.000 1.196 1217 A CA 0.193 52.269 52.037 0.064 0.000 0.957 1217 A CB 0.587 19.625 19.000 0.063 0.000 1.150 1217 A HN 0.319 nan 8.150 nan 0.000 0.539 1218 G N -0.779 108.063 108.800 0.071 0.000 2.728 1218 G HA2 -0.023 3.938 3.960 0.002 0.000 0.294 1218 G HA3 -0.023 3.938 3.960 0.002 0.000 0.294 1218 G C -0.044 174.910 174.900 0.090 0.000 1.342 1218 G CA -0.473 44.659 45.100 0.053 0.000 0.866 1218 G HN 0.666 nan 8.290 nan 0.000 0.534 1219 T N 0.245 114.828 114.554 0.049 0.000 2.748 1219 T HA 0.395 4.746 4.350 0.002 0.000 0.304 1219 T C 2.019 176.818 174.700 0.165 0.000 1.041 1219 T CA 0.556 62.692 62.100 0.060 0.000 1.033 1219 T CB 1.000 69.873 68.868 0.007 0.000 0.995 1219 T HN 0.857 nan 8.240 nan 0.000 0.536 1220 S N 1.058 116.898 115.700 0.234 0.000 2.359 1220 S HA -0.148 4.323 4.470 0.002 0.000 0.224 1220 S C 2.291 176.949 174.600 0.097 0.000 1.035 1220 S CA 1.426 59.745 58.200 0.198 0.000 1.018 1220 S CB -0.283 63.030 63.200 0.188 0.000 0.876 1220 S HN 0.838 nan 8.310 nan 0.000 0.448 1221 E N 1.447 121.690 120.200 0.072 0.000 2.106 1221 E HA -0.207 4.144 4.350 0.002 0.000 0.192 1221 E C 1.827 178.449 176.600 0.037 0.000 0.984 1221 E CA 1.038 57.464 56.400 0.043 0.000 0.806 1221 E CB -0.602 29.116 29.700 0.030 0.000 0.750 1221 E HN 0.580 nan 8.360 nan 0.000 0.458 1222 Q N 0.630 120.455 119.800 0.041 0.000 2.119 1222 Q HA -0.108 4.233 4.340 0.002 0.000 0.201 1222 Q C 2.362 178.384 176.000 0.036 0.000 0.972 1222 Q CA 1.664 57.486 55.803 0.033 0.000 0.847 1222 Q CB -0.065 28.691 28.738 0.030 0.000 0.903 1222 Q HN 0.430 nan 8.270 nan 0.000 0.433 1223 Q N -0.507 119.324 119.800 0.051 0.000 2.123 1223 Q HA -0.081 4.260 4.340 0.002 0.000 0.199 1223 Q C 2.154 178.170 176.000 0.027 0.000 0.966 1223 Q CA 1.089 56.917 55.803 0.041 0.000 0.845 1223 Q CB -0.158 28.611 28.738 0.051 0.000 0.907 1223 Q HN 0.475 nan 8.270 nan 0.000 0.439 1224 G N 1.623 110.440 108.800 0.028 0.000 2.433 1224 G HA2 -0.343 3.618 3.960 0.002 0.000 0.216 1224 G HA3 -0.343 3.618 3.960 0.002 0.000 0.216 1224 G C 0.991 175.900 174.900 0.014 0.000 1.186 1224 G CA 1.293 46.404 45.100 0.018 0.000 0.779 1224 G HN 0.497 nan 8.290 nan 0.000 0.543 1225 D N -0.105 120.304 120.400 0.016 0.000 2.149 1225 D HA -0.132 4.509 4.640 0.002 0.000 0.198 1225 D C 2.238 178.544 176.300 0.010 0.000 0.990 1225 D CA 1.018 55.025 54.000 0.012 0.000 0.839 1225 D CB -0.251 40.556 40.800 0.012 0.000 0.948 1225 D HN 0.200 nan 8.370 nan 0.000 0.460 1226 L N 0.012 121.242 121.223 0.013 0.000 2.093 1226 L HA 0.000 4.341 4.340 0.002 0.000 0.208 1226 L C 2.252 179.127 176.870 0.008 0.000 1.085 1226 L CA 1.762 56.609 54.840 0.011 0.000 0.755 1226 L CB -1.155 40.913 42.059 0.014 0.000 0.904 1226 L HN 0.115 nan 8.230 nan 0.000 0.435 1227 S N -0.723 114.981 115.700 0.008 0.000 2.368 1227 S HA -0.213 4.258 4.470 0.002 0.000 0.224 1227 S C 2.125 176.727 174.600 0.004 0.000 1.029 1227 S CA 1.195 59.398 58.200 0.005 0.000 0.988 1227 S CB -0.407 62.795 63.200 0.003 0.000 0.838 1227 S HN 0.491 nan 8.310 nan 0.000 0.462 1228 K N 0.487 120.890 120.400 0.004 0.000 2.442 1228 K HA 0.030 4.351 4.320 0.002 0.000 0.198 1228 K C 1.759 178.361 176.600 0.003 0.000 1.042 1228 K CA 0.666 56.955 56.287 0.003 0.000 0.958 1228 K CB -0.028 32.475 32.500 0.004 0.000 0.766 1228 K HN 0.349 nan 8.250 nan 0.000 0.474 1229 R N -0.829 119.674 120.500 0.004 0.000 2.308 1229 R HA 0.014 4.355 4.340 0.002 0.000 0.202 1229 R C 1.891 178.192 176.300 0.003 0.000 0.898 1229 R CA 1.013 57.115 56.100 0.003 0.000 1.046 1229 R CB 0.529 30.831 30.300 0.004 0.000 1.026 1229 R HN 0.290 nan 8.270 nan 0.000 0.512 1230 T N -2.632 111.923 114.554 0.003 0.000 3.151 1230 T HA 0.232 4.583 4.350 0.002 0.000 0.239 1230 T C 0.728 175.429 174.700 0.001 0.000 0.979 1230 T CA 0.363 62.464 62.100 0.002 0.000 1.194 1230 T CB 0.602 69.471 68.868 0.002 0.000 0.982 1230 T HN 0.061 nan 8.240 nan 0.000 0.428 1231 K N 0.231 120.631 120.400 0.001 0.000 6.728 1231 K HA -0.190 4.131 4.320 0.002 0.000 0.280 1231 K C -0.547 176.053 176.600 -0.001 0.000 0.997 1231 K CA 1.107 57.394 56.287 -0.000 0.000 0.998 1231 K CB -1.583 30.916 32.500 -0.000 0.000 0.706 1231 K HN 0.501 nan 8.250 nan 0.000 0.789 1232 K N 0.000 120.400 120.400 -0.001 0.000 2.780 1232 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1232 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 1232 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543