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 2c3y_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 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 0.001 0.000 0.244 2 G C 0.000 174.914 174.900 0.023 0.000 0.946 2 G CA 0.000 45.112 45.100 0.020 0.000 0.502 3 K N 0.120 120.525 120.400 0.008 0.000 2.144 3 K HA 0.592 4.912 4.320 0.001 0.000 0.270 3 K C -0.412 176.170 176.600 -0.031 0.000 1.005 3 K CA -0.491 55.791 56.287 -0.008 0.000 0.932 3 K CB 1.828 34.319 32.500 -0.013 0.000 1.021 3 K HN 0.471 nan 8.250 nan 0.000 0.462 4 K N 2.812 123.177 120.400 -0.059 0.000 2.507 4 K HA 0.257 4.578 4.320 0.001 0.000 0.251 4 K C -0.898 175.639 176.600 -0.105 0.000 0.943 4 K CA -0.647 55.595 56.287 -0.075 0.000 0.794 4 K CB 1.071 33.527 32.500 -0.073 0.000 1.188 4 K HN 0.414 nan 8.250 nan 0.000 0.428 5 M N 5.097 124.645 119.600 -0.086 0.000 2.250 5 M HA 0.406 4.886 4.480 0.001 0.000 0.344 5 M C -0.093 176.155 176.300 -0.086 0.000 1.150 5 M CA 0.009 55.257 55.300 -0.088 0.000 1.147 5 M CB 0.655 33.212 32.600 -0.073 0.000 1.498 5 M HN 0.835 nan 8.290 nan 0.000 0.461 6 M N 0.502 120.053 119.600 -0.083 0.000 2.569 6 M HA 0.446 4.927 4.480 0.001 0.000 0.287 6 M C -1.118 175.158 176.300 -0.040 0.000 1.130 6 M CA -0.803 54.459 55.300 -0.064 0.000 0.885 6 M CB 1.926 34.474 32.600 -0.087 0.000 1.759 6 M HN 0.564 nan 8.290 nan 0.000 0.515 7 T N 0.314 114.862 114.554 -0.011 0.000 2.753 7 T HA 0.819 5.169 4.350 0.001 0.000 0.297 7 T C -0.145 174.568 174.700 0.021 0.000 0.981 7 T CA 0.127 62.235 62.100 0.014 0.000 0.956 7 T CB 0.721 69.612 68.868 0.038 0.000 0.936 7 T HN 1.037 nan 8.240 nan 0.000 0.463 8 T N -0.131 114.436 114.554 0.022 0.000 2.731 8 T HA 0.643 4.994 4.350 0.001 0.000 0.300 8 T C -1.426 173.299 174.700 0.040 0.000 1.283 8 T CA -0.957 61.162 62.100 0.032 0.000 1.005 8 T CB 1.528 70.412 68.868 0.026 0.000 1.420 8 T HN 0.630 nan 8.240 nan 0.000 0.503 9 D N -0.743 119.680 120.400 0.039 0.000 2.440 9 D HA 0.506 5.147 4.640 0.001 0.000 0.258 9 D C 1.701 178.012 176.300 0.018 0.000 1.092 9 D CA -0.189 53.839 54.000 0.047 0.000 1.016 9 D CB 0.168 40.991 40.800 0.040 0.000 1.141 9 D HN 0.786 nan 8.370 nan 0.000 0.552 10 G N -0.258 108.554 108.800 0.020 0.000 2.469 10 G HA2 -0.363 3.597 3.960 0.001 0.000 0.219 10 G HA3 -0.363 3.597 3.960 0.001 0.000 0.219 10 G C 1.250 176.060 174.900 -0.150 0.000 1.150 10 G CA 0.912 45.935 45.100 -0.129 0.000 0.763 10 G HN 0.660 nan 8.290 nan 0.000 0.561 11 N N -0.091 118.639 118.700 0.051 0.000 2.069 11 N HA -0.144 4.596 4.740 0.001 0.000 0.191 11 N C 2.587 178.118 175.510 0.036 0.000 1.031 11 N CA 1.920 55.030 53.050 0.100 0.000 0.852 11 N CB -0.215 38.268 38.487 -0.006 0.000 1.018 11 N HN 0.480 nan 8.380 nan 0.000 0.423 12 T N -1.253 113.318 114.554 0.029 0.000 2.777 12 T HA 0.037 4.388 4.350 0.001 0.000 0.266 12 T C 2.014 176.835 174.700 0.202 0.000 1.040 12 T CA 0.967 63.141 62.100 0.124 0.000 1.141 12 T CB -0.428 68.512 68.868 0.121 0.000 0.868 12 T HN 0.175 nan 8.240 nan 0.000 0.444 13 A N 2.132 125.017 122.820 0.109 0.000 1.940 13 A HA -0.072 4.248 4.320 0.001 0.000 0.219 13 A C 2.762 180.460 177.584 0.191 0.000 1.176 13 A CA 2.577 54.694 52.037 0.134 0.000 0.631 13 A CB -1.497 17.537 19.000 0.057 0.000 0.814 13 A HN 0.792 nan 8.150 nan 0.000 0.446 14 T N -2.745 111.867 114.554 0.097 0.000 2.851 14 T HA 0.204 4.555 4.350 0.001 0.000 0.262 14 T C 2.010 176.792 174.700 0.138 0.000 1.043 14 T CA 1.434 63.594 62.100 0.099 0.000 1.140 14 T CB -0.617 68.329 68.868 0.131 0.000 0.872 14 T HN 0.559 nan 8.240 nan 0.000 0.446 15 A N 1.937 124.868 122.820 0.184 0.000 1.940 15 A HA -0.209 4.112 4.320 0.001 0.000 0.219 15 A C 2.366 180.274 177.584 0.539 0.000 1.176 15 A CA 1.875 54.062 52.037 0.250 0.000 0.631 15 A CB -1.433 17.582 19.000 0.025 0.000 0.814 15 A HN 0.796 nan 8.150 nan 0.000 0.446 16 H N -0.030 119.308 119.070 0.447 0.000 2.357 16 H HA -0.140 4.417 4.556 0.001 0.000 0.296 16 H C 1.915 177.400 175.328 0.261 0.000 1.108 16 H CA 2.352 58.615 56.048 0.359 0.000 1.273 16 H CB -0.048 29.874 29.762 0.266 0.000 1.367 16 H HN 0.267 nan 8.280 nan 0.000 0.498 17 V N 1.004 121.027 119.914 0.182 0.000 2.346 17 V HA -0.112 4.009 4.120 0.001 0.000 0.244 17 V C 3.111 179.110 176.094 -0.158 0.000 1.037 17 V CA 1.233 63.490 62.300 -0.072 0.000 1.029 17 V CB -1.117 30.652 31.823 -0.090 0.000 0.663 17 V HN 0.565 nan 8.190 nan 0.000 0.454 18 A N -0.770 122.068 122.820 0.029 0.000 1.940 18 A HA -0.299 4.021 4.320 0.001 0.000 0.219 18 A C 2.159 179.783 177.584 0.067 0.000 1.176 18 A CA 2.254 54.354 52.037 0.105 0.000 0.631 18 A CB -0.810 18.410 19.000 0.366 0.000 0.814 18 A HN 0.647 nan 8.150 nan 0.000 0.446 19 Y N 0.279 120.645 120.300 0.110 0.000 2.163 19 Y HA -0.073 4.478 4.550 0.001 0.000 0.288 19 Y C 2.709 178.537 175.900 -0.120 0.000 1.136 19 Y CA 1.459 59.648 58.100 0.147 0.000 1.147 19 Y CB -0.374 38.330 38.460 0.407 0.000 0.987 19 Y HN 0.322 nan 8.280 nan 0.000 0.509 20 A N 0.005 122.628 122.820 -0.327 0.000 1.902 20 A HA -0.190 4.131 4.320 0.001 0.000 0.217 20 A C 1.940 179.236 177.584 -0.480 0.000 1.181 20 A CA 1.976 53.542 52.037 -0.785 0.000 0.623 20 A CB -0.555 17.412 19.000 -1.723 0.000 0.818 20 A HN 0.483 nan 8.150 nan 0.000 0.443 21 M N 0.256 119.564 119.600 -0.488 0.000 2.561 21 M HA 0.178 4.659 4.480 0.001 0.000 0.238 21 M C 0.015 176.193 176.300 -0.203 0.000 1.131 21 M CA 0.330 55.367 55.300 -0.439 0.000 1.046 21 M CB -0.952 31.161 32.600 -0.811 0.000 1.532 21 M HN 0.187 nan 8.290 nan 0.000 0.497 22 S N -0.254 115.364 115.700 -0.137 0.000 2.607 22 S HA 0.426 4.897 4.470 0.001 0.000 0.303 22 S C 0.707 175.314 174.600 0.011 0.000 1.086 22 S CA -0.728 57.471 58.200 -0.001 0.000 0.995 22 S CB 2.556 65.768 63.200 0.020 0.000 1.084 22 S HN 0.230 nan 8.310 nan 0.000 0.507 23 E N -0.064 120.157 120.200 0.034 0.000 2.364 23 E HA 0.247 4.598 4.350 0.001 0.000 0.203 23 E C -0.491 176.103 176.600 -0.010 0.000 0.888 23 E CA 0.287 56.686 56.400 -0.002 0.000 0.989 23 E CB 0.718 30.386 29.700 -0.054 0.000 0.985 23 E HN 0.255 nan 8.360 nan 0.000 0.499 24 V N 0.606 120.530 119.914 0.017 0.000 2.925 24 V HA 0.732 4.853 4.120 0.001 0.000 0.311 24 V C -1.268 174.850 176.094 0.041 0.000 1.104 24 V CA -0.917 61.400 62.300 0.029 0.000 0.954 24 V CB 1.936 33.782 31.823 0.039 0.000 1.022 24 V HN 0.133 nan 8.190 nan 0.000 0.427 25 A N 2.625 125.473 122.820 0.048 0.000 2.437 25 A HA 0.916 5.236 4.320 0.001 0.000 0.293 25 A C -0.636 176.969 177.584 0.036 0.000 1.038 25 A CA -0.116 51.951 52.037 0.051 0.000 0.708 25 A CB 1.653 20.732 19.000 0.132 0.000 1.251 25 A HN 1.535 nan 8.150 nan 0.000 0.409 26 A N 2.429 125.248 122.820 -0.001 0.000 2.273 26 A HA 0.763 5.084 4.320 0.001 0.000 0.315 26 A C -0.790 176.769 177.584 -0.042 0.000 1.256 26 A CA -0.201 51.824 52.037 -0.019 0.000 0.851 26 A CB 0.047 19.038 19.000 -0.015 0.000 1.172 26 A HN 0.711 nan 8.150 nan 0.000 0.508 27 I N 1.260 121.790 120.570 -0.067 0.000 2.846 27 I HA 0.608 4.779 4.170 0.001 0.000 0.307 27 I C -0.899 175.164 176.117 -0.091 0.000 1.053 27 I CA -0.759 60.489 61.300 -0.087 0.000 1.050 27 I CB 2.000 39.910 38.000 -0.150 0.000 1.239 27 I HN 0.600 nan 8.210 nan 0.000 0.439 28 Y N 5.101 125.277 120.300 -0.207 0.000 2.482 28 Y HA 0.540 5.091 4.550 0.001 0.000 0.334 28 Y C -2.632 173.179 175.900 -0.149 0.000 1.091 28 Y CA -2.036 55.939 58.100 -0.207 0.000 1.027 28 Y CB 2.235 40.623 38.460 -0.119 0.000 1.306 28 Y HN 0.359 nan 8.280 nan 0.000 0.446 29 P HA 0.436 nan 4.420 nan 0.000 0.281 29 P C -1.032 176.109 177.300 -0.265 0.000 1.252 29 P CA 0.087 62.968 63.100 -0.366 0.000 0.778 29 P CB 1.923 33.367 31.700 -0.425 0.000 0.895 30 I N 1.281 121.779 120.570 -0.121 0.000 2.715 30 I HA 0.136 4.307 4.170 0.001 0.000 0.288 30 I C -0.675 175.392 176.117 -0.084 0.000 1.371 30 I CA -0.290 60.959 61.300 -0.085 0.000 1.056 30 I CB 2.029 40.024 38.000 -0.009 0.000 1.339 30 I HN 0.164 nan 8.210 nan 0.000 0.425 31 T N 8.806 123.299 114.554 -0.100 0.000 2.930 31 T HA 0.225 4.575 4.350 0.001 0.000 0.306 31 T C -2.141 172.475 174.700 -0.139 0.000 1.045 31 T CA -0.456 61.572 62.100 -0.120 0.000 1.134 31 T CB 0.606 69.417 68.868 -0.094 0.000 0.961 31 T HN 0.489 nan 8.240 nan 0.000 0.545 32 P HA 0.190 nan 4.420 nan 0.000 0.262 32 P C 0.603 177.825 177.300 -0.130 0.000 1.651 32 P CA -0.209 62.679 63.100 -0.352 0.000 1.119 32 P CB 0.062 31.157 31.700 -1.010 0.000 1.552 33 S N -2.324 113.323 115.700 -0.088 0.000 2.535 33 S HA 0.054 4.524 4.470 0.001 0.000 0.214 33 S C 1.703 176.281 174.600 -0.036 0.000 0.980 33 S CA 0.191 58.374 58.200 -0.027 0.000 0.907 33 S CB -0.681 62.530 63.200 0.018 0.000 0.790 33 S HN -0.033 nan 8.310 nan 0.000 0.510 34 S N 2.429 118.094 115.700 -0.057 0.000 2.380 34 S HA -0.155 4.316 4.470 0.001 0.000 0.229 34 S C 1.914 176.439 174.600 -0.125 0.000 1.043 34 S CA 2.067 60.230 58.200 -0.062 0.000 1.038 34 S CB -1.116 62.036 63.200 -0.080 0.000 0.872 34 S HN 0.734 nan 8.310 nan 0.000 0.456 35 T N 2.618 117.075 114.554 -0.163 0.000 2.665 35 T HA -0.140 4.211 4.350 0.001 0.000 0.268 35 T C 1.790 176.291 174.700 -0.332 0.000 1.035 35 T CA 1.554 63.512 62.100 -0.237 0.000 1.151 35 T CB -0.402 68.322 68.868 -0.240 0.000 0.862 35 T HN 0.374 nan 8.240 nan 0.000 0.438 36 M N 0.625 120.006 119.600 -0.366 0.000 2.080 36 M HA -0.060 4.420 4.480 0.001 0.000 0.260 36 M C 2.823 178.582 176.300 -0.902 0.000 1.068 36 M CA 1.922 56.809 55.300 -0.688 0.000 1.109 36 M CB -0.906 31.193 32.600 -0.836 0.000 1.342 36 M HN 0.411 nan 8.290 nan 0.000 0.405 37 G N 0.079 108.513 108.800 -0.610 0.000 2.418 37 G HA2 -0.204 3.756 3.960 0.001 0.000 0.217 37 G HA3 -0.204 3.756 3.960 0.001 0.000 0.217 37 G C 1.311 176.205 174.900 -0.009 0.000 1.158 37 G CA 0.860 45.877 45.100 -0.139 0.000 0.771 37 G HN 0.520 nan 8.290 nan 0.000 0.545 38 E N 0.362 120.436 120.200 -0.211 0.000 2.110 38 E HA -0.100 4.250 4.350 0.001 0.000 0.193 38 E C 2.414 178.722 176.600 -0.486 0.000 0.988 38 E CA 1.001 57.115 56.400 -0.475 0.000 0.804 38 E CB -0.090 29.314 29.700 -0.494 0.000 0.745 38 E HN 0.571 nan 8.360 nan 0.000 0.458 39 E N 0.693 120.521 120.200 -0.620 0.000 2.051 39 E HA -0.177 4.173 4.350 0.001 0.000 0.192 39 E C 2.139 178.020 176.600 -1.200 0.000 0.991 39 E CA 0.886 56.631 56.400 -1.091 0.000 0.799 39 E CB -0.125 28.796 29.700 -1.298 0.000 0.748 39 E HN 0.225 nan 8.360 nan 0.000 0.449 40 A N 1.419 123.863 122.820 -0.627 0.000 1.883 40 A HA -0.288 4.032 4.320 0.001 0.000 0.217 40 A C 1.890 179.570 177.584 0.159 0.000 1.186 40 A CA 2.124 54.163 52.037 0.004 0.000 0.624 40 A CB -0.649 18.484 19.000 0.221 0.000 0.822 40 A HN 0.265 nan 8.150 nan 0.000 0.444 41 D N -0.613 119.824 120.400 0.063 0.000 2.117 41 D HA -0.146 4.495 4.640 0.001 0.000 0.198 41 D C 1.315 177.646 176.300 0.051 0.000 0.982 41 D CA 1.469 55.550 54.000 0.134 0.000 0.828 41 D CB -0.076 40.839 40.800 0.190 0.000 0.967 41 D HN 0.366 nan 8.370 nan 0.000 0.464 42 D N -0.446 119.886 120.400 -0.113 0.000 2.117 42 D HA -0.140 4.500 4.640 0.001 0.000 0.197 42 D C 1.836 178.192 176.300 0.094 0.000 0.987 42 D CA 0.643 54.602 54.000 -0.068 0.000 0.829 42 D CB -0.375 40.320 40.800 -0.175 0.000 0.961 42 D HN 0.461 nan 8.370 nan 0.000 0.460 43 W N 1.486 122.763 121.300 -0.038 0.000 2.363 43 W HA 0.074 4.734 4.660 0.001 0.000 0.296 43 W C 2.515 179.018 176.519 -0.028 0.000 1.212 43 W CA 0.517 57.771 57.345 -0.151 0.000 1.260 43 W CB -1.251 27.926 29.460 -0.472 0.000 1.131 43 W HN -0.040 nan 8.180 nan 0.000 0.530 44 A N 0.507 123.570 122.820 0.405 0.000 1.898 44 A HA 0.031 4.352 4.320 0.001 0.000 0.216 44 A C 2.249 179.973 177.584 0.233 0.000 1.181 44 A CA 2.542 54.826 52.037 0.412 0.000 0.620 44 A CB -1.087 18.153 19.000 0.400 0.000 0.819 44 A HN 0.108 nan 8.150 nan 0.000 0.442 45 A N -0.643 122.282 122.820 0.174 0.000 1.972 45 A HA -0.185 4.136 4.320 0.001 0.000 0.219 45 A C 2.038 179.691 177.584 0.115 0.000 1.169 45 A CA 1.583 53.688 52.037 0.112 0.000 0.635 45 A CB -0.481 18.566 19.000 0.078 0.000 0.810 45 A HN 0.666 nan 8.150 nan 0.000 0.446 46 Q N -1.890 117.991 119.800 0.136 0.000 2.378 46 Q HA 0.224 4.565 4.340 0.001 0.000 0.205 46 Q C 1.144 177.202 176.000 0.097 0.000 0.954 46 Q CA 0.520 56.394 55.803 0.118 0.000 0.901 46 Q CB 0.069 28.878 28.738 0.118 0.000 0.981 46 Q HN 0.894 nan 8.270 nan 0.000 0.483 47 G N 1.699 110.570 108.800 0.119 0.000 2.134 47 G HA2 -0.279 3.682 3.960 0.001 0.000 0.209 47 G HA3 -0.279 3.682 3.960 0.001 0.000 0.209 47 G C -0.048 174.915 174.900 0.105 0.000 0.993 47 G CA -0.115 45.053 45.100 0.112 0.000 0.669 47 G HN 0.261 nan 8.290 nan 0.000 0.519 48 R N 0.576 121.126 120.500 0.083 0.000 2.570 48 R HA 0.370 4.710 4.340 0.001 0.000 0.277 48 R C -0.052 176.397 176.300 0.247 0.000 1.039 48 R CA 0.070 56.167 56.100 -0.004 0.000 1.065 48 R CB 0.342 30.436 30.300 -0.344 0.000 0.964 48 R HN -0.026 nan 8.270 nan 0.000 0.428 49 K N 3.147 123.677 120.400 0.216 0.000 2.130 49 K HA 0.152 4.472 4.320 0.001 0.000 0.268 49 K C -0.090 176.773 176.600 0.438 0.000 0.983 49 K CA -0.784 55.685 56.287 0.303 0.000 0.893 49 K CB 1.300 33.903 32.500 0.172 0.000 1.066 49 K HN 0.727 nan 8.250 nan 0.000 0.450 50 N N 0.978 119.890 118.700 0.354 0.000 2.374 50 N HA 0.080 4.820 4.740 0.001 0.000 0.284 50 N C 1.260 176.817 175.510 0.078 0.000 1.280 50 N CA -0.385 52.791 53.050 0.209 0.000 0.963 50 N CB -0.132 38.402 38.487 0.078 0.000 1.141 50 N HN 0.616 nan 8.380 nan 0.000 0.565 51 I N -4.617 115.840 120.570 -0.189 0.000 2.850 51 I HA 0.019 4.189 4.170 0.001 0.000 0.266 51 I C 0.362 176.235 176.117 -0.407 0.000 1.257 51 I CA 1.185 62.276 61.300 -0.348 0.000 1.465 51 I CB -0.603 37.044 38.000 -0.588 0.000 1.091 51 I HN 0.195 nan 8.210 nan 0.000 0.467 52 F N 1.967 121.929 119.950 0.020 0.000 2.693 52 F HA 0.457 4.985 4.527 0.001 0.000 0.303 52 F C 1.879 177.704 175.800 0.042 0.000 1.097 52 F CA 0.325 58.340 58.000 0.026 0.000 1.330 52 F CB 0.269 39.280 39.000 0.018 0.000 1.067 52 F HN 0.239 nan 8.300 nan 0.000 0.565 53 G N 0.297 109.202 108.800 0.175 0.000 2.153 53 G HA2 -0.224 3.736 3.960 0.001 0.000 0.252 53 G HA3 -0.224 3.736 3.960 0.001 0.000 0.252 53 G C 0.048 175.042 174.900 0.156 0.000 0.994 53 G CA -0.141 45.045 45.100 0.144 0.000 0.698 53 G HN 0.269 nan 8.290 nan 0.000 0.521 54 Q N 0.177 120.092 119.800 0.191 0.000 2.351 54 Q HA 0.631 4.971 4.340 0.001 0.000 0.273 54 Q C 0.555 176.662 176.000 0.179 0.000 1.077 54 Q CA 0.094 55.992 55.803 0.158 0.000 0.843 54 Q CB 1.575 30.391 28.738 0.130 0.000 1.367 54 Q HN 0.590 nan 8.270 nan 0.000 0.449 55 T N -1.549 113.104 114.554 0.164 0.000 2.897 55 T HA 0.392 4.743 4.350 0.001 0.000 0.294 55 T C 0.285 175.063 174.700 0.130 0.000 1.004 55 T CA -0.797 61.435 62.100 0.220 0.000 1.106 55 T CB 0.530 69.518 68.868 0.201 0.000 0.949 55 T HN 0.383 nan 8.240 nan 0.000 0.520 56 L N 2.863 124.134 121.223 0.080 0.000 2.453 56 L HA 0.309 4.649 4.340 0.001 0.000 0.272 56 L C 0.396 177.295 176.870 0.048 0.000 1.182 56 L CA 0.651 55.443 54.840 -0.081 0.000 0.858 56 L CB 0.468 42.302 42.059 -0.375 0.000 1.120 56 L HN 0.880 nan 8.230 nan 0.000 0.474 57 T N 7.225 121.796 114.554 0.028 0.000 2.762 57 T HA 0.517 4.868 4.350 0.001 0.000 0.303 57 T C -0.038 174.697 174.700 0.058 0.000 0.977 57 T CA 0.006 62.135 62.100 0.049 0.000 0.961 57 T CB -0.391 68.495 68.868 0.030 0.000 0.944 57 T HN 0.396 nan 8.240 nan 0.000 0.481 58 I N 3.737 124.360 120.570 0.087 0.000 2.474 58 I HA 0.603 4.773 4.170 0.001 0.000 0.294 58 I C -0.021 176.138 176.117 0.069 0.000 1.005 58 I CA -1.142 60.216 61.300 0.096 0.000 1.113 58 I CB 1.542 39.641 38.000 0.164 0.000 1.289 58 I HN 0.175 nan 8.210 nan 0.000 0.436 59 R N 3.877 124.392 120.500 0.025 0.000 2.673 59 R HA 0.368 4.709 4.340 0.001 0.000 0.281 59 R C -0.958 175.293 176.300 -0.081 0.000 0.991 59 R CA -0.830 55.267 56.100 -0.005 0.000 0.896 59 R CB 2.391 32.695 30.300 0.008 0.000 1.201 59 R HN 0.670 nan 8.270 nan 0.000 0.457 60 E N 3.715 123.842 120.200 -0.121 0.000 2.200 60 E HA 0.246 4.596 4.350 0.001 0.000 0.283 60 E C -0.231 176.355 176.600 -0.023 0.000 1.015 60 E CA -0.465 55.814 56.400 -0.202 0.000 0.819 60 E CB 0.768 30.289 29.700 -0.297 0.000 1.081 60 E HN 0.213 nan 8.360 nan 0.000 0.397 61 M N 2.497 122.122 119.600 0.042 0.000 2.513 61 M HA 0.050 4.530 4.480 0.001 0.000 0.250 61 M C 1.090 177.486 176.300 0.161 0.000 1.145 61 M CA -0.263 55.077 55.300 0.067 0.000 0.948 61 M CB 0.515 33.117 32.600 0.004 0.000 1.405 61 M HN 0.631 nan 8.290 nan 0.000 0.546 62 Q N 0.701 120.528 119.800 0.045 0.000 2.424 62 Q HA 0.074 4.414 4.340 0.001 0.000 0.204 62 Q C -0.146 175.675 176.000 -0.298 0.000 0.933 62 Q CA 0.613 56.450 55.803 0.057 0.000 0.929 62 Q CB 0.288 29.043 28.738 0.028 0.000 1.037 62 Q HN 0.739 nan 8.270 nan 0.000 0.511 63 S N -1.487 113.812 115.700 -0.668 0.000 2.643 63 S HA 0.290 4.760 4.470 0.001 0.000 0.266 63 S C -0.307 173.874 174.600 -0.699 0.000 1.130 63 S CA -0.445 57.055 58.200 -1.167 0.000 0.817 63 S CB 0.677 63.570 63.200 -0.510 0.000 1.107 63 S HN -0.050 nan 8.310 nan 0.000 0.471 64 E N 0.771 120.685 120.200 -0.476 0.000 2.204 64 E HA 0.152 4.502 4.350 0.001 0.000 0.194 64 E C 2.088 178.609 176.600 -0.133 0.000 0.989 64 E CA 1.428 57.722 56.400 -0.178 0.000 0.824 64 E CB -0.453 29.203 29.700 -0.074 0.000 0.756 64 E HN 0.696 nan 8.360 nan 0.000 0.477 65 A N 0.522 123.260 122.820 -0.136 0.000 1.898 65 A HA -0.053 4.268 4.320 0.001 0.000 0.216 65 A C 2.408 179.956 177.584 -0.060 0.000 1.181 65 A CA 1.637 53.631 52.037 -0.072 0.000 0.620 65 A CB -1.098 17.860 19.000 -0.069 0.000 0.819 65 A HN 0.363 nan 8.150 nan 0.000 0.442 66 G N -0.589 108.151 108.800 -0.100 0.000 2.408 66 G HA2 0.052 4.013 3.960 0.001 0.000 0.217 66 G HA3 0.052 4.013 3.960 0.001 0.000 0.217 66 G C 1.726 176.601 174.900 -0.042 0.000 1.150 66 G CA 1.352 46.413 45.100 -0.064 0.000 0.776 66 G HN 0.754 nan 8.290 nan 0.000 0.542 67 A N 1.301 124.081 122.820 -0.066 0.000 1.877 67 A HA 0.255 4.575 4.320 0.001 0.000 0.216 67 A C 2.827 180.392 177.584 -0.033 0.000 1.186 67 A CA 2.308 54.314 52.037 -0.052 0.000 0.620 67 A CB -0.865 18.092 19.000 -0.071 0.000 0.822 67 A HN 0.775 nan 8.150 nan 0.000 0.443 68 A N -0.535 122.267 122.820 -0.029 0.000 1.902 68 A HA 0.115 4.436 4.320 0.001 0.000 0.217 68 A C 2.404 180.068 177.584 0.134 0.000 1.181 68 A CA 1.955 54.026 52.037 0.056 0.000 0.623 68 A CB -1.371 17.675 19.000 0.077 0.000 0.818 68 A HN 0.740 nan 8.150 nan 0.000 0.443 69 G N -0.581 108.274 108.800 0.091 0.000 2.418 69 G HA2 0.018 3.979 3.960 0.001 0.000 0.217 69 G HA3 0.018 3.979 3.960 0.001 0.000 0.217 69 G C 1.729 176.686 174.900 0.094 0.000 1.158 69 G CA 1.409 46.576 45.100 0.112 0.000 0.771 69 G HN 0.780 nan 8.290 nan 0.000 0.545 70 A N 0.113 122.967 122.820 0.056 0.000 1.898 70 A HA 0.112 4.433 4.320 0.001 0.000 0.216 70 A C 2.597 180.227 177.584 0.077 0.000 1.181 70 A CA 1.693 53.755 52.037 0.042 0.000 0.620 70 A CB -0.660 18.351 19.000 0.019 0.000 0.819 70 A HN 0.236 nan 8.150 nan 0.000 0.442 71 V N -0.224 119.752 119.914 0.103 0.000 2.332 71 V HA -0.332 3.789 4.120 0.001 0.000 0.248 71 V C 2.455 178.689 176.094 0.232 0.000 1.055 71 V CA 2.385 64.776 62.300 0.151 0.000 1.038 71 V CB -1.009 30.918 31.823 0.174 0.000 0.651 71 V HN 0.843 nan 8.190 nan 0.000 0.450 72 H N -0.147 119.001 119.070 0.130 0.000 2.353 72 H HA -0.141 4.416 4.556 0.001 0.000 0.300 72 H C 2.272 177.657 175.328 0.095 0.000 1.090 72 H CA 1.326 57.450 56.048 0.127 0.000 1.327 72 H CB -0.145 29.689 29.762 0.121 0.000 1.383 72 H HN 0.462 nan 8.280 nan 0.000 0.508 73 G N 0.069 108.877 108.800 0.013 0.000 2.418 73 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 73 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 73 G C 1.864 176.767 174.900 0.005 0.000 1.158 73 G CA 0.716 45.770 45.100 -0.076 0.000 0.771 73 G HN 0.552 nan 8.290 nan 0.000 0.545 74 A N 0.475 123.330 122.820 0.058 0.000 1.902 74 A HA 0.123 4.444 4.320 0.001 0.000 0.217 74 A C 2.433 180.094 177.584 0.128 0.000 1.181 74 A CA 1.218 53.298 52.037 0.071 0.000 0.623 74 A CB -0.368 18.680 19.000 0.079 0.000 0.818 74 A HN 0.353 nan 8.150 nan 0.000 0.443 75 L N -0.848 120.494 121.223 0.199 0.000 2.056 75 L HA -0.144 4.196 4.340 0.001 0.000 0.207 75 L C 3.070 180.110 176.870 0.284 0.000 1.078 75 L CA 0.979 56.013 54.840 0.322 0.000 0.749 75 L CB -0.504 41.728 42.059 0.288 0.000 0.901 75 L HN 0.414 nan 8.230 nan 0.000 0.433 76 A N 0.006 122.939 122.820 0.188 0.000 1.978 76 A HA -0.099 4.222 4.320 0.001 0.000 0.220 76 A C 2.118 179.717 177.584 0.026 0.000 1.170 76 A CA 1.652 53.760 52.037 0.118 0.000 0.636 76 A CB -0.540 18.472 19.000 0.020 0.000 0.810 76 A HN 0.386 nan 8.150 nan 0.000 0.448 77 A N -1.565 121.249 122.820 -0.009 0.000 2.462 77 A HA 0.462 4.783 4.320 0.001 0.000 0.261 77 A C 1.458 178.960 177.584 -0.137 0.000 1.323 77 A CA 0.848 52.844 52.037 -0.068 0.000 0.913 77 A CB -1.137 17.828 19.000 -0.058 0.000 1.028 77 A HN 1.864 nan 8.150 nan 0.000 0.511 78 G N -1.726 106.921 108.800 -0.256 0.000 2.160 78 G HA2 0.131 4.091 3.960 0.001 0.000 0.244 78 G HA3 0.131 4.091 3.960 0.001 0.000 0.244 78 G C 0.223 174.954 174.900 -0.282 0.000 1.022 78 G CA 0.306 45.043 45.100 -0.605 0.000 0.741 78 G HN 1.706 nan 8.290 nan 0.000 0.508 79 A N -0.097 122.767 122.820 0.074 0.000 2.342 79 A HA 0.811 5.131 4.320 0.001 0.000 0.323 79 A C 0.347 178.131 177.584 0.333 0.000 1.125 79 A CA -0.694 51.435 52.037 0.154 0.000 0.785 79 A CB 1.003 20.036 19.000 0.055 0.000 1.221 79 A HN 0.757 nan 8.150 nan 0.000 0.463 80 L N 2.394 123.766 121.223 0.248 0.000 2.477 80 L HA 0.287 4.627 4.340 0.001 0.000 0.272 80 L C 0.107 177.046 176.870 0.115 0.000 1.157 80 L CA 0.377 55.305 54.840 0.147 0.000 0.889 80 L CB 0.469 42.608 42.059 0.132 0.000 1.158 80 L HN 0.767 nan 8.230 nan 0.000 0.473 81 T N 1.427 116.046 114.554 0.107 0.000 2.907 81 T HA 0.662 5.013 4.350 0.001 0.000 0.292 81 T C -0.271 174.498 174.700 0.114 0.000 1.043 81 T CA -0.597 61.566 62.100 0.106 0.000 1.003 81 T CB 2.271 71.212 68.868 0.121 0.000 1.084 81 T HN 0.523 nan 8.240 nan 0.000 0.483 82 T N 0.764 115.360 114.554 0.070 0.000 2.816 82 T HA 0.821 5.171 4.350 0.001 0.000 0.299 82 T C -0.810 173.762 174.700 -0.215 0.000 1.230 82 T CA -0.695 61.408 62.100 0.005 0.000 1.007 82 T CB 2.207 71.127 68.868 0.086 0.000 1.289 82 T HN 0.721 nan 8.240 nan 0.000 0.508 83 T N 0.235 114.506 114.554 -0.471 0.000 2.769 83 T HA 0.715 5.065 4.350 0.001 0.000 0.306 83 T C -2.126 172.064 174.700 -0.849 0.000 1.400 83 T CA -0.614 61.103 62.100 -0.638 0.000 1.007 83 T CB 0.783 69.353 68.868 -0.498 0.000 1.392 83 T HN 0.400 nan 8.240 nan 0.000 0.500 84 F N 1.185 121.126 119.950 -0.015 0.000 2.547 84 F HA 0.771 5.299 4.527 0.001 0.000 0.316 84 F C 0.601 176.372 175.800 -0.049 0.000 1.121 84 F CA -0.590 57.430 58.000 0.034 0.000 0.911 84 F CB 2.419 41.468 39.000 0.081 0.000 1.179 84 F HN 0.644 nan 8.300 nan 0.000 0.443 85 T N 0.823 115.426 114.554 0.081 0.000 2.637 85 T HA 0.901 5.252 4.350 0.001 0.000 0.303 85 T C -1.870 172.817 174.700 -0.022 0.000 1.288 85 T CA -0.098 62.006 62.100 0.007 0.000 1.040 85 T CB 1.445 70.268 68.868 -0.075 0.000 1.644 85 T HN 1.296 nan 8.240 nan 0.000 0.480 86 A N 0.096 122.895 122.820 -0.035 0.000 2.522 86 A HA 0.741 5.061 4.320 0.001 0.000 0.291 86 A C 0.626 178.187 177.584 -0.037 0.000 1.039 86 A CA 0.726 52.730 52.037 -0.055 0.000 0.643 86 A CB 0.235 19.191 19.000 -0.073 0.000 1.310 86 A HN 2.110 nan 8.150 nan 0.000 0.436 87 S N -0.620 115.054 115.700 -0.043 0.000 4.135 87 S HA -0.376 4.095 4.470 0.001 0.000 0.538 87 S C 1.700 176.295 174.600 -0.008 0.000 1.522 87 S CA 2.581 60.767 58.200 -0.024 0.000 3.869 87 S CB -1.101 62.090 63.200 -0.014 0.000 1.628 87 S HN 1.305 nan 8.310 nan 0.000 0.492 88 Q N 1.067 120.874 119.800 0.011 0.000 2.197 88 Q HA -0.067 4.274 4.340 0.001 0.000 0.207 88 Q C 2.382 178.405 176.000 0.038 0.000 0.984 88 Q CA 2.019 57.841 55.803 0.032 0.000 0.869 88 Q CB -1.389 27.386 28.738 0.062 0.000 0.906 88 Q HN 0.818 nan 8.270 nan 0.000 0.426 89 G N 1.180 110.004 108.800 0.039 0.000 2.404 89 G HA2 -0.213 3.748 3.960 0.001 0.000 0.215 89 G HA3 -0.213 3.748 3.960 0.001 0.000 0.215 89 G C 1.490 176.385 174.900 -0.009 0.000 1.174 89 G CA 0.700 45.822 45.100 0.035 0.000 0.780 89 G HN 0.327 nan 8.290 nan 0.000 0.537 90 L N 0.615 121.825 121.223 -0.022 0.000 2.083 90 L HA 0.087 4.428 4.340 0.001 0.000 0.209 90 L C 2.695 179.551 176.870 -0.025 0.000 1.083 90 L CA 1.239 56.059 54.840 -0.034 0.000 0.752 90 L CB -0.373 41.657 42.059 -0.048 0.000 0.899 90 L HN 0.205 nan 8.230 nan 0.000 0.433 91 L N -1.227 119.987 121.223 -0.015 0.000 2.042 91 L HA -0.261 4.080 4.340 0.001 0.000 0.210 91 L C 2.396 179.268 176.870 0.003 0.000 1.076 91 L CA 1.292 56.129 54.840 -0.005 0.000 0.749 91 L CB -0.602 41.460 42.059 0.004 0.000 0.893 91 L HN 0.304 nan 8.230 nan 0.000 0.432 92 L N -1.010 120.212 121.223 -0.001 0.000 2.362 92 L HA -0.144 4.196 4.340 0.001 0.000 0.219 92 L C 2.291 179.160 176.870 -0.002 0.000 1.134 92 L CA 0.816 55.653 54.840 -0.006 0.000 0.807 92 L CB -0.250 41.794 42.059 -0.024 0.000 0.927 92 L HN 0.397 nan 8.230 nan 0.000 0.447 93 M N -1.172 118.430 119.600 0.002 0.000 2.509 93 M HA -0.006 4.475 4.480 0.001 0.000 0.250 93 M C 2.075 178.405 176.300 0.050 0.000 1.132 93 M CA 0.638 55.959 55.300 0.035 0.000 1.080 93 M CB 0.164 32.791 32.600 0.044 0.000 1.408 93 M HN 0.171 nan 8.290 nan 0.000 0.484 94 I N 1.181 121.764 120.570 0.023 0.000 2.113 94 I HA -0.278 3.893 4.170 0.001 0.000 0.242 94 I C -0.628 175.584 176.117 0.158 0.000 1.064 94 I CA 1.979 63.297 61.300 0.030 0.000 1.320 94 I CB -1.709 36.327 38.000 0.060 0.000 1.028 94 I HN 0.154 nan 8.210 nan 0.000 0.406 95 P HA -0.156 nan 4.420 nan 0.000 0.215 95 P C 1.251 178.659 177.300 0.181 0.000 1.157 95 P CA 1.506 64.711 63.100 0.175 0.000 0.874 95 P CB -0.118 31.631 31.700 0.081 0.000 0.790 96 N N -1.349 117.430 118.700 0.132 0.000 2.309 96 N HA -0.042 4.699 4.740 0.001 0.000 0.182 96 N C 1.639 177.204 175.510 0.091 0.000 1.018 96 N CA 1.032 54.154 53.050 0.120 0.000 0.876 96 N CB -0.342 38.239 38.487 0.157 0.000 0.972 96 N HN 0.206 nan 8.380 nan 0.000 0.434 97 M N -0.635 119.001 119.600 0.060 0.000 2.159 97 M HA -0.180 4.301 4.480 0.001 0.000 0.263 97 M C 1.525 177.870 176.300 0.074 0.000 1.063 97 M CA 1.403 56.667 55.300 -0.059 0.000 1.110 97 M CB -0.380 31.905 32.600 -0.526 0.000 1.374 97 M HN 0.133 nan 8.290 nan 0.000 0.411 98 Y N 0.344 120.660 120.300 0.027 0.000 2.242 98 Y HA -0.160 4.391 4.550 0.001 0.000 0.291 98 Y C 2.521 178.429 175.900 0.014 0.000 1.137 98 Y CA 1.084 59.207 58.100 0.037 0.000 1.181 98 Y CB -0.160 38.312 38.460 0.021 0.000 0.989 98 Y HN 0.044 nan 8.280 nan 0.000 0.527 99 K N 0.254 120.724 120.400 0.117 0.000 2.062 99 K HA -0.094 4.226 4.320 0.001 0.000 0.205 99 K C 1.988 178.461 176.600 -0.211 0.000 1.051 99 K CA 1.223 57.474 56.287 -0.059 0.000 0.941 99 K CB -0.542 31.857 32.500 -0.168 0.000 0.719 99 K HN 0.377 nan 8.250 nan 0.000 0.440 100 I N 1.393 121.827 120.570 -0.226 0.000 2.226 100 I HA -0.287 3.884 4.170 0.001 0.000 0.245 100 I C 2.504 178.536 176.117 -0.141 0.000 1.100 100 I CA 1.518 62.709 61.300 -0.182 0.000 1.374 100 I CB -0.375 37.619 38.000 -0.010 0.000 1.057 100 I HN 0.146 nan 8.210 nan 0.000 0.413 101 S N 0.750 116.404 115.700 -0.077 0.000 2.371 101 S HA -0.043 4.428 4.470 0.001 0.000 0.224 101 S C 2.205 176.805 174.600 -0.000 0.000 1.029 101 S CA 0.807 58.945 58.200 -0.103 0.000 0.978 101 S CB -1.205 62.005 63.200 0.016 0.000 0.833 101 S HN 0.447 nan 8.310 nan 0.000 0.466 102 G N 1.430 110.255 108.800 0.042 0.000 2.450 102 G HA2 -0.124 3.837 3.960 0.001 0.000 0.220 102 G HA3 -0.124 3.837 3.960 0.001 0.000 0.220 102 G C 1.242 176.154 174.900 0.020 0.000 1.130 102 G CA 0.679 45.813 45.100 0.056 0.000 0.760 102 G HN 0.672 nan 8.290 nan 0.000 0.557 103 E N -0.139 120.060 120.200 -0.001 0.000 2.463 103 E HA 0.316 4.666 4.350 0.001 0.000 0.193 103 E C 0.272 176.844 176.600 -0.047 0.000 1.041 103 E CA -0.459 55.948 56.400 0.011 0.000 0.879 103 E CB 0.089 29.846 29.700 0.094 0.000 0.997 103 E HN 0.281 nan 8.360 nan 0.000 0.478 104 L N 1.484 122.642 121.223 -0.108 0.000 3.823 104 L HA -0.233 4.107 4.340 0.001 0.000 0.525 104 L C -0.710 176.072 176.870 -0.146 0.000 1.247 104 L CA 0.281 55.003 54.840 -0.197 0.000 0.776 104 L CB -1.421 40.430 42.059 -0.347 0.000 1.443 104 L HN 0.286 nan 8.230 nan 0.000 0.831 105 L N 2.438 123.581 121.223 -0.133 0.000 2.307 105 L HA 0.420 4.761 4.340 0.001 0.000 0.284 105 L C -1.284 175.453 176.870 -0.221 0.000 1.023 105 L CA -1.674 53.117 54.840 -0.082 0.000 0.810 105 L CB 1.493 43.577 42.059 0.040 0.000 1.231 105 L HN -0.066 nan 8.230 nan 0.000 0.423 106 P HA 0.015 nan 4.420 nan 0.000 0.261 106 P C 0.414 177.550 177.300 -0.274 0.000 1.650 106 P CA 0.015 62.905 63.100 -0.351 0.000 0.846 106 P CB -0.169 31.216 31.700 -0.525 0.000 1.758 107 G N -0.157 108.511 108.800 -0.221 0.000 2.569 107 G HA2 0.383 4.344 3.960 0.001 0.000 0.249 107 G HA3 0.383 4.344 3.960 0.001 0.000 0.249 107 G C -0.800 174.030 174.900 -0.117 0.000 1.216 107 G CA -0.150 44.897 45.100 -0.088 0.000 0.845 107 G HN 0.142 nan 8.290 nan 0.000 0.568 108 V N 1.478 121.408 119.914 0.028 0.000 2.524 108 V HA 0.363 4.483 4.120 0.001 0.000 0.297 108 V C -0.804 175.405 176.094 0.192 0.000 1.035 108 V CA -0.570 61.690 62.300 -0.067 0.000 0.867 108 V CB 1.329 32.849 31.823 -0.505 0.000 1.004 108 V HN 0.667 nan 8.190 nan 0.000 0.426 109 F N 3.051 122.945 119.950 -0.093 0.000 2.420 109 F HA 0.547 5.075 4.527 0.001 0.000 0.342 109 F C 0.279 175.971 175.800 -0.181 0.000 1.113 109 F CA -0.751 57.192 58.000 -0.094 0.000 1.059 109 F CB 1.572 40.570 39.000 -0.003 0.000 1.128 109 F HN 0.541 nan 8.300 nan 0.000 0.475 110 H N 1.840 121.031 119.070 0.202 0.000 2.595 110 H HA 0.441 4.998 4.556 0.001 0.000 0.313 110 H C -0.711 174.713 175.328 0.160 0.000 1.023 110 H CA -0.683 55.538 56.048 0.289 0.000 1.218 110 H CB 1.599 31.659 29.762 0.497 0.000 1.403 110 H HN 0.397 nan 8.280 nan 0.000 0.477 111 V N 1.363 121.337 119.914 0.100 0.000 2.604 111 V HA 0.570 4.691 4.120 0.001 0.000 0.305 111 V C 0.210 176.052 176.094 -0.420 0.000 1.043 111 V CA -0.893 61.361 62.300 -0.078 0.000 0.888 111 V CB 1.901 33.701 31.823 -0.038 0.000 0.995 111 V HN 0.823 nan 8.190 nan 0.000 0.429 112 T N 2.517 116.820 114.554 -0.419 0.000 2.875 112 T HA 0.698 5.048 4.350 0.001 0.000 0.307 112 T C 0.432 174.982 174.700 -0.251 0.000 1.013 112 T CA 0.259 62.027 62.100 -0.553 0.000 0.970 112 T CB 0.331 68.985 68.868 -0.356 0.000 0.986 112 T HN 1.818 nan 8.240 nan 0.000 0.536 113 A N 4.252 126.969 122.820 -0.172 0.000 2.563 113 A HA 0.332 4.653 4.320 0.001 0.000 0.256 113 A C 0.700 178.282 177.584 -0.003 0.000 1.056 113 A CA -0.120 51.884 52.037 -0.054 0.000 0.775 113 A CB -0.209 18.842 19.000 0.085 0.000 0.973 113 A HN 0.965 nan 8.150 nan 0.000 0.516 114 R N 2.623 123.109 120.500 -0.022 0.000 2.744 114 R HA 0.636 4.977 4.340 0.001 0.000 0.279 114 R C -0.038 176.270 176.300 0.014 0.000 0.977 114 R CA -0.242 55.866 56.100 0.014 0.000 0.906 114 R CB 1.562 31.856 30.300 -0.010 0.000 1.197 114 R HN 0.902 nan 8.270 nan 0.000 0.463 115 A N 4.068 126.914 122.820 0.042 0.000 2.520 115 A HA 0.225 4.546 4.320 0.001 0.000 0.235 115 A C 0.144 177.742 177.584 0.022 0.000 1.065 115 A CA -0.083 51.976 52.037 0.036 0.000 0.764 115 A CB 0.129 19.166 19.000 0.063 0.000 1.002 115 A HN 0.528 nan 8.150 nan 0.000 0.502 116 I N 0.991 121.574 120.570 0.020 0.000 2.440 116 I HA 0.358 4.528 4.170 0.001 0.000 0.294 116 I C 0.986 177.110 176.117 0.011 0.000 0.995 116 I CA -0.273 61.035 61.300 0.014 0.000 1.306 116 I CB 1.080 39.090 38.000 0.015 0.000 1.407 116 I HN 0.721 nan 8.210 nan 0.000 0.501 117 A N 4.677 127.496 122.820 -0.001 0.000 2.444 117 A HA 0.579 4.899 4.320 0.001 0.000 0.273 117 A C 0.485 178.062 177.584 -0.012 0.000 1.136 117 A CA 0.438 52.461 52.037 -0.022 0.000 0.799 117 A CB 0.167 19.151 19.000 -0.026 0.000 1.081 117 A HN 0.981 nan 8.150 nan 0.000 0.509 118 A N 2.112 124.925 122.820 -0.012 0.000 1.936 118 A HA 0.354 4.675 4.320 0.001 0.000 0.197 118 A C 1.605 179.220 177.584 0.052 0.000 2.189 118 A CA 0.538 52.603 52.037 0.047 0.000 1.491 118 A CB -0.486 18.585 19.000 0.120 0.000 1.021 118 A HN 1.034 nan 8.150 nan 0.000 0.537 119 H N 0.320 119.415 119.070 0.041 0.000 2.524 119 H HA 0.494 5.051 4.556 0.001 0.000 0.282 119 H C 0.312 175.689 175.328 0.082 0.000 1.016 119 H CA 1.302 57.389 56.048 0.066 0.000 1.270 119 H CB -0.205 29.596 29.762 0.066 0.000 1.394 119 H HN 0.730 nan 8.280 nan 0.000 0.568 120 A N 0.575 123.005 122.820 -0.650 0.000 2.601 120 A HA 0.480 4.800 4.320 0.001 0.000 0.291 120 A C -1.500 175.923 177.584 -0.268 0.000 1.075 120 A CA -0.774 50.989 52.037 -0.455 0.000 0.671 120 A CB 0.953 19.590 19.000 -0.606 0.000 1.277 120 A HN 0.273 nan 8.150 nan 0.000 0.417 121 L N 0.896 122.043 121.223 -0.127 0.000 2.357 121 L HA 0.824 5.164 4.340 0.001 0.000 0.273 121 L C 0.015 176.868 176.870 -0.027 0.000 1.080 121 L CA -0.051 54.755 54.840 -0.058 0.000 0.803 121 L CB 1.591 43.636 42.059 -0.023 0.000 1.174 121 L HN 0.904 nan 8.230 nan 0.000 0.443 122 S N 3.737 119.443 115.700 0.010 0.000 2.572 122 S HA 0.367 4.837 4.470 0.001 0.000 0.274 122 S C 0.226 174.851 174.600 0.042 0.000 1.150 122 S CA -0.822 57.427 58.200 0.081 0.000 0.944 122 S CB 1.351 64.630 63.200 0.132 0.000 1.071 122 S HN 0.693 nan 8.310 nan 0.000 0.479 123 I N 1.008 121.552 120.570 -0.043 0.000 3.793 123 I HA 0.472 4.643 4.170 0.001 0.000 0.315 123 I C -0.461 175.549 176.117 -0.179 0.000 1.275 123 I CA -0.242 60.968 61.300 -0.150 0.000 1.214 123 I CB -0.190 37.666 38.000 -0.240 0.000 1.018 123 I HN 0.302 nan 8.210 nan 0.000 0.439 124 F N 2.210 122.232 119.950 0.120 0.000 2.375 124 F HA 0.614 5.141 4.527 0.001 0.000 0.313 124 F C 1.476 177.367 175.800 0.152 0.000 1.176 124 F CA -0.392 57.703 58.000 0.158 0.000 1.142 124 F CB 0.458 39.461 39.000 0.005 0.000 1.275 124 F HN -0.102 nan 8.300 nan 0.000 0.544 125 G N 0.692 109.727 108.800 0.393 0.000 2.370 125 G HA2 0.488 4.449 3.960 0.001 0.000 0.272 125 G HA3 0.488 4.449 3.960 0.001 0.000 0.272 125 G C -1.384 173.572 174.900 0.094 0.000 1.208 125 G CA -0.183 45.050 45.100 0.221 0.000 0.856 125 G HN 0.726 nan 8.290 nan 0.000 0.500 126 D N -1.225 119.197 120.400 0.038 0.000 2.764 126 D HA 0.063 4.703 4.640 0.001 0.000 0.293 126 D C -0.284 176.016 176.300 0.001 0.000 1.287 126 D CA -0.763 53.176 54.000 -0.102 0.000 0.768 126 D CB 0.170 40.898 40.800 -0.121 0.000 1.288 126 D HN 0.426 nan 8.370 nan 0.000 0.426 127 H N -0.570 118.401 119.070 -0.165 0.000 2.519 127 H HA 0.184 4.740 4.556 0.001 0.000 0.289 127 H C 0.892 176.095 175.328 -0.208 0.000 1.040 127 H CA -0.086 55.764 56.048 -0.329 0.000 1.165 127 H CB 0.538 29.923 29.762 -0.628 0.000 1.462 127 H HN 0.282 nan 8.280 nan 0.000 0.555 128 Q N 0.958 120.784 119.800 0.043 0.000 2.096 128 Q HA -0.178 4.162 4.340 0.001 0.000 0.204 128 Q C 1.699 177.709 176.000 0.017 0.000 0.982 128 Q CA 1.769 57.613 55.803 0.068 0.000 0.850 128 Q CB 0.120 28.880 28.738 0.037 0.000 0.901 128 Q HN 0.682 nan 8.270 nan 0.000 0.422 129 D N 0.667 121.036 120.400 -0.051 0.000 2.103 129 D HA -0.167 4.474 4.640 0.001 0.000 0.199 129 D C 1.877 178.082 176.300 -0.157 0.000 0.978 129 D CA 1.155 55.105 54.000 -0.083 0.000 0.829 129 D CB -0.606 40.144 40.800 -0.084 0.000 0.981 129 D HN 0.427 nan 8.370 nan 0.000 0.464 130 I N -1.960 118.418 120.570 -0.320 0.000 2.361 130 I HA -0.142 4.028 4.170 0.001 0.000 0.251 130 I C 2.341 178.259 176.117 -0.332 0.000 1.133 130 I CA 0.971 61.978 61.300 -0.489 0.000 1.413 130 I CB -1.208 36.144 38.000 -1.080 0.000 1.073 130 I HN -0.074 nan 8.210 nan 0.000 0.424 131 Y N 1.174 121.326 120.300 -0.248 0.000 2.352 131 Y HA 0.001 4.551 4.550 0.001 0.000 0.292 131 Y C 2.693 178.542 175.900 -0.085 0.000 1.136 131 Y CA 0.385 58.398 58.100 -0.145 0.000 1.227 131 Y CB -0.145 38.248 38.460 -0.112 0.000 0.991 131 Y HN 0.300 nan 8.280 nan 0.000 0.545 132 A N -0.203 122.652 122.820 0.059 0.000 2.067 132 A HA 0.043 4.363 4.320 0.001 0.000 0.219 132 A C 1.967 179.542 177.584 -0.016 0.000 1.158 132 A CA 1.374 53.424 52.037 0.022 0.000 0.661 132 A CB -0.539 18.463 19.000 0.003 0.000 0.801 132 A HN 0.320 nan 8.150 nan 0.000 0.452 133 A N -0.084 122.696 122.820 -0.066 0.000 2.465 133 A HA 0.271 4.592 4.320 0.001 0.000 0.255 133 A C 1.683 179.191 177.584 -0.127 0.000 1.274 133 A CA 0.341 52.294 52.037 -0.140 0.000 0.920 133 A CB -0.369 18.496 19.000 -0.224 0.000 1.033 133 A HN 0.625 nan 8.150 nan 0.000 0.516 134 R N 0.236 120.728 120.500 -0.014 0.000 2.189 134 R HA -0.141 4.199 4.340 0.001 0.000 0.223 134 R C 1.375 177.667 176.300 -0.013 0.000 1.092 134 R CA 1.526 57.660 56.100 0.056 0.000 0.989 134 R CB -0.176 30.264 30.300 0.235 0.000 0.876 134 R HN 0.471 nan 8.270 nan 0.000 0.457 135 Q N 1.360 121.129 119.800 -0.052 0.000 2.360 135 Q HA -0.014 4.326 4.340 0.001 0.000 0.202 135 Q C 1.211 177.079 176.000 -0.222 0.000 0.915 135 Q CA 1.319 57.086 55.803 -0.060 0.000 0.943 135 Q CB 0.085 28.846 28.738 0.039 0.000 1.064 135 Q HN 0.438 nan 8.270 nan 0.000 0.511 136 T N -3.039 111.257 114.554 -0.430 0.000 3.072 136 T HA 0.230 4.581 4.350 0.001 0.000 0.266 136 T C 1.421 175.929 174.700 -0.320 0.000 1.127 136 T CA 0.955 62.562 62.100 -0.822 0.000 1.107 136 T CB -0.233 68.189 68.868 -0.743 0.000 0.910 136 T HN 0.547 nan 8.240 nan 0.000 0.513 137 G N 0.323 109.060 108.800 -0.106 0.000 2.175 137 G HA2 -0.186 3.775 3.960 0.001 0.000 0.244 137 G HA3 -0.186 3.775 3.960 0.001 0.000 0.244 137 G C -0.165 174.845 174.900 0.184 0.000 0.982 137 G CA -0.260 44.868 45.100 0.046 0.000 0.641 137 G HN 0.500 nan 8.290 nan 0.000 0.527 138 F N 1.836 121.683 119.950 -0.172 0.000 2.399 138 F HA 0.674 5.202 4.527 0.001 0.000 0.342 138 F C 1.044 176.690 175.800 -0.256 0.000 1.106 138 F CA -0.223 57.627 58.000 -0.251 0.000 1.196 138 F CB 1.229 40.033 39.000 -0.328 0.000 1.163 138 F HN 0.337 nan 8.300 nan 0.000 0.547 139 A N 4.908 127.489 122.820 -0.399 0.000 2.351 139 A HA 0.624 4.944 4.320 0.001 0.000 0.257 139 A C -0.466 176.927 177.584 -0.318 0.000 1.087 139 A CA -0.390 51.298 52.037 -0.582 0.000 0.798 139 A CB 0.170 18.219 19.000 -1.585 0.000 1.033 139 A HN 0.767 nan 8.150 nan 0.000 0.488 140 M N 2.446 121.996 119.600 -0.083 0.000 2.151 140 M HA 0.374 4.855 4.480 0.001 0.000 0.290 140 M C -1.174 175.289 176.300 0.272 0.000 0.965 140 M CA 0.199 55.622 55.300 0.206 0.000 0.930 140 M CB 1.644 34.452 32.600 0.348 0.000 1.560 140 M HN 0.525 nan 8.290 nan 0.000 0.438 141 L N 2.818 124.207 121.223 0.277 0.000 2.298 141 L HA 0.791 5.132 4.340 0.001 0.000 0.284 141 L C -0.334 176.444 176.870 -0.153 0.000 1.013 141 L CA -0.551 54.372 54.840 0.138 0.000 0.824 141 L CB 1.638 43.830 42.059 0.221 0.000 1.221 141 L HN 0.849 nan 8.230 nan 0.000 0.418 142 A N 3.019 125.606 122.820 -0.388 0.000 2.301 142 A HA 0.674 4.994 4.320 0.001 0.000 0.312 142 A C -0.109 177.302 177.584 -0.289 0.000 1.182 142 A CA -0.415 51.131 52.037 -0.818 0.000 0.826 142 A CB 0.986 19.552 19.000 -0.722 0.000 1.134 142 A HN 0.683 nan 8.150 nan 0.000 0.501 143 S N 0.845 116.441 115.700 -0.174 0.000 2.472 143 S HA 0.531 5.001 4.470 0.001 0.000 0.303 143 S C 0.381 175.013 174.600 0.053 0.000 1.099 143 S CA 0.094 58.306 58.200 0.022 0.000 1.077 143 S CB 1.546 64.876 63.200 0.216 0.000 1.031 143 S HN 1.343 nan 8.310 nan 0.000 0.487 144 S N 0.631 116.380 115.700 0.082 0.000 2.554 144 S HA 0.433 4.903 4.470 0.001 0.000 0.226 144 S C 0.364 175.047 174.600 0.139 0.000 0.980 144 S CA 0.102 58.380 58.200 0.131 0.000 0.939 144 S CB -0.686 62.597 63.200 0.139 0.000 0.832 144 S HN 1.374 nan 8.310 nan 0.000 0.486 145 S N -0.962 114.809 115.700 0.118 0.000 2.615 145 S HA 0.519 4.990 4.470 0.001 0.000 0.269 145 S C 0.554 175.195 174.600 0.068 0.000 1.161 145 S CA -0.324 57.939 58.200 0.105 0.000 0.817 145 S CB 0.784 64.047 63.200 0.105 0.000 1.131 145 S HN -0.016 nan 8.310 nan 0.000 0.467 146 V N 1.270 121.220 119.914 0.060 0.000 2.332 146 V HA -0.176 3.945 4.120 0.001 0.000 0.248 146 V C 2.909 179.022 176.094 0.031 0.000 1.055 146 V CA 2.643 64.957 62.300 0.023 0.000 1.038 146 V CB -1.078 30.771 31.823 0.042 0.000 0.651 146 V HN 0.973 nan 8.190 nan 0.000 0.450 147 Q N 0.548 120.387 119.800 0.065 0.000 2.084 147 Q HA -0.218 4.122 4.340 0.001 0.000 0.202 147 Q C 2.091 178.166 176.000 0.125 0.000 0.978 147 Q CA 2.025 57.880 55.803 0.086 0.000 0.844 147 Q CB -0.362 28.440 28.738 0.107 0.000 0.898 147 Q HN 0.699 nan 8.270 nan 0.000 0.426 148 E N -0.657 119.612 120.200 0.115 0.000 2.204 148 E HA -0.130 4.220 4.350 0.001 0.000 0.194 148 E C 1.804 178.404 176.600 0.000 0.000 0.989 148 E CA 0.660 57.096 56.400 0.060 0.000 0.824 148 E CB -0.157 29.578 29.700 0.059 0.000 0.756 148 E HN 0.497 nan 8.360 nan 0.000 0.477 149 A N 1.483 124.309 122.820 0.010 0.000 1.908 149 A HA -0.250 4.071 4.320 0.001 0.000 0.218 149 A C 2.080 179.664 177.584 -0.000 0.000 1.181 149 A CA 1.745 53.774 52.037 -0.014 0.000 0.627 149 A CB -0.742 18.063 19.000 -0.326 0.000 0.818 149 A HN 0.376 nan 8.150 nan 0.000 0.445 150 H N 0.201 119.239 119.070 -0.053 0.000 2.299 150 H HA -0.131 4.426 4.556 0.001 0.000 0.302 150 H C 1.383 176.686 175.328 -0.041 0.000 1.078 150 H CA 1.949 57.988 56.048 -0.016 0.000 1.323 150 H CB -0.280 29.483 29.762 0.000 0.000 1.381 150 H HN 0.387 nan 8.280 nan 0.000 0.498 151 D N 0.611 121.076 120.400 0.109 0.000 2.097 151 D HA -0.144 4.497 4.640 0.001 0.000 0.195 151 D C 2.430 178.597 176.300 -0.222 0.000 0.989 151 D CA 0.947 54.950 54.000 0.005 0.000 0.827 151 D CB -0.173 40.689 40.800 0.103 0.000 0.966 151 D HN 0.341 nan 8.370 nan 0.000 0.456 152 M N 0.536 119.945 119.600 -0.320 0.000 2.175 152 M HA 0.023 4.504 4.480 0.001 0.000 0.264 152 M C 2.285 178.252 176.300 -0.555 0.000 1.063 152 M CA 0.605 55.656 55.300 -0.414 0.000 1.119 152 M CB -1.126 31.267 32.600 -0.345 0.000 1.377 152 M HN -0.030 nan 8.290 nan 0.000 0.415 153 A N 0.490 122.917 122.820 -0.654 0.000 1.883 153 A HA -0.173 4.148 4.320 0.001 0.000 0.217 153 A C 2.338 179.865 177.584 -0.096 0.000 1.186 153 A CA 1.418 53.246 52.037 -0.347 0.000 0.624 153 A CB -1.008 17.960 19.000 -0.054 0.000 0.822 153 A HN 0.464 nan 8.150 nan 0.000 0.444 154 L N -0.241 120.863 121.223 -0.198 0.000 2.017 154 L HA -0.166 4.174 4.340 0.001 0.000 0.208 154 L C 2.536 179.285 176.870 -0.201 0.000 1.073 154 L CA 1.711 56.447 54.840 -0.174 0.000 0.745 154 L CB -0.336 41.590 42.059 -0.222 0.000 0.894 154 L HN 0.283 nan 8.230 nan 0.000 0.432 155 V N 0.162 119.941 119.914 -0.225 0.000 2.332 155 V HA -0.325 3.795 4.120 0.001 0.000 0.248 155 V C 2.785 178.617 176.094 -0.436 0.000 1.055 155 V CA 1.748 63.896 62.300 -0.254 0.000 1.038 155 V CB -1.042 30.680 31.823 -0.168 0.000 0.651 155 V HN 0.587 nan 8.190 nan 0.000 0.450 156 A N -1.089 121.470 122.820 -0.435 0.000 1.883 156 A HA -0.269 4.052 4.320 0.001 0.000 0.217 156 A C 2.158 179.289 177.584 -0.755 0.000 1.186 156 A CA 1.981 53.612 52.037 -0.676 0.000 0.624 156 A CB -0.805 18.000 19.000 -0.325 0.000 0.822 156 A HN 0.662 nan 8.150 nan 0.000 0.444 157 H N -0.293 118.533 119.070 -0.407 0.000 2.293 157 H HA -0.054 4.503 4.556 0.001 0.000 0.300 157 H C 2.184 177.235 175.328 -0.461 0.000 1.082 157 H CA 1.821 57.664 56.048 -0.342 0.000 1.308 157 H CB -0.375 29.263 29.762 -0.208 0.000 1.375 157 H HN 0.415 nan 8.280 nan 0.000 0.495 158 L N 0.151 121.108 121.223 -0.443 0.000 2.012 158 L HA -0.175 4.165 4.340 0.001 0.000 0.210 158 L C 2.939 179.286 176.870 -0.872 0.000 1.073 158 L CA 1.119 55.498 54.840 -0.768 0.000 0.748 158 L CB -0.539 40.807 42.059 -1.187 0.000 0.891 158 L HN 0.209 nan 8.230 nan 0.000 0.431 159 A N -0.171 122.159 122.820 -0.817 0.000 1.930 159 A HA -0.094 4.226 4.320 0.001 0.000 0.217 159 A C 2.524 179.826 177.584 -0.469 0.000 1.175 159 A CA 1.539 53.240 52.037 -0.561 0.000 0.627 159 A CB -0.607 17.998 19.000 -0.659 0.000 0.815 159 A HN 0.402 nan 8.150 nan 0.000 0.443 160 A N 0.090 122.524 122.820 -0.644 0.000 1.898 160 A HA -0.063 4.257 4.320 0.001 0.000 0.216 160 A C 2.099 179.550 177.584 -0.222 0.000 1.181 160 A CA 1.467 53.331 52.037 -0.288 0.000 0.620 160 A CB -0.579 18.252 19.000 -0.282 0.000 0.819 160 A HN 0.488 nan 8.150 nan 0.000 0.442 161 I N -0.738 119.679 120.570 -0.255 0.000 2.179 161 I HA -0.264 3.907 4.170 0.001 0.000 0.242 161 I C 2.608 178.666 176.117 -0.099 0.000 1.088 161 I CA 1.950 63.130 61.300 -0.199 0.000 1.357 161 I CB -0.289 37.614 38.000 -0.162 0.000 1.051 161 I HN 0.528 nan 8.210 nan 0.000 0.409 162 E N 0.702 120.867 120.200 -0.057 0.000 2.107 162 E HA -0.195 4.156 4.350 0.001 0.000 0.191 162 E C 2.218 178.855 176.600 0.062 0.000 0.982 162 E CA 1.491 57.923 56.400 0.054 0.000 0.809 162 E CB 0.097 29.911 29.700 0.190 0.000 0.756 162 E HN 0.493 nan 8.360 nan 0.000 0.459 163 S N -0.392 115.335 115.700 0.045 0.000 2.470 163 S HA -0.014 4.457 4.470 0.001 0.000 0.225 163 S C 0.744 175.384 174.600 0.066 0.000 1.006 163 S CA 0.771 59.016 58.200 0.076 0.000 0.934 163 S CB -0.156 63.101 63.200 0.095 0.000 0.778 163 S HN 0.460 nan 8.310 nan 0.000 0.517 164 N N -0.604 118.081 118.700 -0.025 0.000 2.800 164 N HA -0.120 4.621 4.740 0.001 0.000 0.250 164 N C -1.123 174.270 175.510 -0.195 0.000 1.078 164 N CA 0.840 53.827 53.050 -0.106 0.000 0.804 164 N CB -1.535 36.903 38.487 -0.081 0.000 1.135 164 N HN 0.368 nan 8.380 nan 0.000 0.565 165 V N 1.370 121.173 119.914 -0.185 0.000 2.370 165 V HA 0.430 4.550 4.120 0.001 0.000 0.283 165 V C -1.836 174.070 176.094 -0.314 0.000 1.023 165 V CA -1.551 60.538 62.300 -0.353 0.000 0.857 165 V CB 1.652 33.170 31.823 -0.509 0.000 0.985 165 V HN -0.051 nan 8.190 nan 0.000 0.443 166 P HA 0.151 nan 4.420 nan 0.000 0.268 166 P C -1.102 175.761 177.300 -0.729 0.000 1.205 166 P CA 0.063 62.679 63.100 -0.807 0.000 0.771 166 P CB 0.579 31.295 31.700 -1.639 0.000 0.858 167 F N 1.610 121.239 119.950 -0.535 0.000 2.508 167 F HA 0.501 5.029 4.527 0.001 0.000 0.325 167 F C 0.827 176.619 175.800 -0.014 0.000 1.090 167 F CA -0.817 57.044 58.000 -0.233 0.000 0.945 167 F CB 1.993 40.860 39.000 -0.221 0.000 1.156 167 F HN 0.142 nan 8.300 nan 0.000 0.463 168 M N 4.450 124.198 119.600 0.247 0.000 2.043 168 M HA 0.250 4.731 4.480 0.001 0.000 0.322 168 M C -1.595 174.912 176.300 0.346 0.000 0.962 168 M CA -0.658 54.806 55.300 0.274 0.000 0.927 168 M CB 0.486 33.200 32.600 0.190 0.000 1.466 168 M HN 0.726 nan 8.290 nan 0.000 0.412 169 H N 6.182 125.362 119.070 0.182 0.000 2.552 169 H HA 0.543 5.100 4.556 0.001 0.000 0.311 169 H C -1.862 173.673 175.328 0.345 0.000 1.071 169 H CA -0.297 55.877 56.048 0.211 0.000 1.307 169 H CB 0.407 30.266 29.762 0.161 0.000 1.416 169 H HN 0.531 nan 8.280 nan 0.000 0.464 170 F N 4.406 124.255 119.950 -0.168 0.000 2.603 170 F HA 0.707 5.235 4.527 0.001 0.000 0.317 170 F C -1.940 173.798 175.800 -0.104 0.000 1.066 170 F CA -1.472 56.367 58.000 -0.268 0.000 0.941 170 F CB 1.281 40.140 39.000 -0.235 0.000 1.291 170 F HN 0.378 nan 8.300 nan 0.000 0.472 171 F N -1.104 118.812 119.950 -0.056 0.000 2.654 171 F HA 0.508 5.036 4.527 0.001 0.000 0.308 171 F C -1.211 174.684 175.800 0.158 0.000 1.108 171 F CA -1.473 56.522 58.000 -0.009 0.000 0.957 171 F CB 0.799 39.783 39.000 -0.027 0.000 1.309 171 F HN 0.346 nan 8.300 nan 0.000 0.446 172 D N 1.723 122.325 120.400 0.337 0.000 2.487 172 D HA 0.259 4.899 4.640 0.001 0.000 0.243 172 D C 0.536 176.971 176.300 0.225 0.000 1.154 172 D CA 0.606 54.773 54.000 0.279 0.000 0.876 172 D CB 1.113 42.093 40.800 0.300 0.000 1.161 172 D HN 0.989 nan 8.370 nan 0.000 0.478 173 G N 1.483 110.363 108.800 0.133 0.000 2.340 173 G HA2 0.214 4.174 3.960 0.001 0.000 0.245 173 G HA3 0.214 4.174 3.960 0.001 0.000 0.245 173 G C 0.454 175.525 174.900 0.284 0.000 1.294 173 G CA -0.202 44.943 45.100 0.074 0.000 0.896 173 G HN 0.491 nan 8.290 nan 0.000 0.522 174 F N 0.249 120.313 119.950 0.190 0.000 2.551 174 F HA -0.333 4.194 4.527 0.001 0.000 0.704 174 F C 2.344 178.433 175.800 0.482 0.000 0.486 174 F CA 2.218 60.366 58.000 0.248 0.000 0.741 174 F CB -1.102 38.031 39.000 0.222 0.000 1.617 174 F HN 0.536 nan 8.300 nan 0.000 0.268 175 R N 0.524 121.374 120.500 0.583 0.000 2.139 175 R HA -0.073 4.267 4.340 0.001 0.000 0.243 175 R C 1.689 178.195 176.300 0.345 0.000 1.145 175 R CA 2.594 58.919 56.100 0.374 0.000 0.976 175 R CB -0.774 29.662 30.300 0.226 0.000 0.866 175 R HN 0.629 nan 8.270 nan 0.000 0.449 176 T N -1.904 112.883 114.554 0.388 0.000 3.058 176 T HA 0.026 4.377 4.350 0.001 0.000 0.247 176 T C 1.539 176.480 174.700 0.401 0.000 0.987 176 T CA 0.518 62.832 62.100 0.357 0.000 1.062 176 T CB 0.001 69.096 68.868 0.379 0.000 1.048 176 T HN 0.384 nan 8.240 nan 0.000 0.468 177 S N 1.627 117.652 115.700 0.542 0.000 2.383 177 S HA -0.191 4.280 4.470 0.001 0.000 0.229 177 S C 1.519 176.342 174.600 0.372 0.000 1.030 177 S CA 1.489 60.022 58.200 0.555 0.000 1.002 177 S CB -0.479 63.004 63.200 0.472 0.000 0.829 177 S HN 0.548 nan 8.310 nan 0.000 0.467 178 H N 0.654 119.851 119.070 0.211 0.000 2.652 178 H HA 0.466 5.022 4.556 0.001 0.000 0.274 178 H C 0.300 175.795 175.328 0.279 0.000 1.021 178 H CA -0.218 55.959 56.048 0.215 0.000 1.187 178 H CB 0.116 30.030 29.762 0.254 0.000 1.505 178 H HN 0.652 nan 8.280 nan 0.000 0.530 179 E N 1.521 121.971 120.200 0.415 0.000 2.338 179 E HA 0.129 4.479 4.350 0.001 0.000 0.272 179 E C -0.400 176.320 176.600 0.200 0.000 1.029 179 E CA -0.386 56.222 56.400 0.348 0.000 0.872 179 E CB 0.778 30.661 29.700 0.304 0.000 1.015 179 E HN 0.317 nan 8.360 nan 0.000 0.417 180 I N 3.449 124.109 120.570 0.150 0.000 2.392 180 I HA 0.257 4.427 4.170 0.001 0.000 0.295 180 I C -0.926 175.222 176.117 0.050 0.000 0.985 180 I CA -0.447 60.914 61.300 0.102 0.000 1.221 180 I CB 0.901 38.976 38.000 0.125 0.000 1.366 180 I HN 0.589 nan 8.210 nan 0.000 0.467 181 Q N 5.727 125.555 119.800 0.047 0.000 2.462 181 Q HA 0.280 4.621 4.340 0.001 0.000 0.285 181 Q C -1.512 174.512 176.000 0.041 0.000 1.035 181 Q CA -0.955 54.873 55.803 0.041 0.000 0.799 181 Q CB 2.592 31.364 28.738 0.057 0.000 1.452 181 Q HN 0.592 nan 8.270 nan 0.000 0.404 182 K N 2.899 123.332 120.400 0.054 0.000 2.284 182 K HA 0.441 4.762 4.320 0.001 0.000 0.287 182 K C -0.214 176.409 176.600 0.037 0.000 1.081 182 K CA 0.001 56.305 56.287 0.028 0.000 0.910 182 K CB 0.031 32.535 32.500 0.008 0.000 1.088 182 K HN 0.580 nan 8.250 nan 0.000 0.478 183 I N -0.699 119.867 120.570 -0.006 0.000 3.445 183 I HA 0.526 4.696 4.170 0.001 0.000 0.303 183 I C -1.050 175.016 176.117 -0.085 0.000 1.129 183 I CA -1.050 60.238 61.300 -0.021 0.000 0.989 183 I CB 1.920 39.898 38.000 -0.036 0.000 1.314 183 I HN 0.513 nan 8.210 nan 0.000 0.488 184 E N 2.164 122.291 120.200 -0.122 0.000 2.187 184 E HA 0.572 4.923 4.350 0.001 0.000 0.268 184 E C -1.516 174.862 176.600 -0.371 0.000 0.896 184 E CA -0.671 55.626 56.400 -0.172 0.000 0.766 184 E CB 2.426 32.067 29.700 -0.098 0.000 1.142 184 E HN 0.656 nan 8.360 nan 0.000 0.408 185 V N 1.588 121.267 119.914 -0.392 0.000 3.046 185 V HA 0.633 4.754 4.120 0.001 0.000 0.316 185 V C -0.442 175.550 176.094 -0.170 0.000 1.104 185 V CA -1.013 60.922 62.300 -0.608 0.000 1.006 185 V CB 1.540 32.977 31.823 -0.644 0.000 1.058 185 V HN 0.651 nan 8.190 nan 0.000 0.440 186 L N 1.211 122.534 121.223 0.166 0.000 2.344 186 L HA 0.553 4.894 4.340 0.001 0.000 0.272 186 L C -0.096 176.971 176.870 0.327 0.000 1.035 186 L CA -0.699 54.285 54.840 0.239 0.000 0.807 186 L CB 1.468 43.698 42.059 0.285 0.000 1.237 186 L HN 0.691 nan 8.230 nan 0.000 0.442 187 D N 0.144 120.661 120.400 0.195 0.000 2.357 187 D HA -0.018 4.622 4.640 0.001 0.000 0.242 187 D C 0.676 177.138 176.300 0.271 0.000 1.153 187 D CA -0.024 54.079 54.000 0.172 0.000 0.918 187 D CB 0.817 41.658 40.800 0.068 0.000 1.181 187 D HN 0.314 nan 8.370 nan 0.000 0.435 188 Y N 0.961 121.249 120.300 -0.021 0.000 2.224 188 Y HA -0.164 4.387 4.550 0.001 0.000 0.289 188 Y C 2.355 178.217 175.900 -0.063 0.000 1.146 188 Y CA 0.797 58.855 58.100 -0.070 0.000 1.182 188 Y CB -1.080 37.317 38.460 -0.105 0.000 0.983 188 Y HN 0.474 nan 8.280 nan 0.000 0.524 189 A N 0.173 123.065 122.820 0.120 0.000 1.940 189 A HA -0.208 4.113 4.320 0.001 0.000 0.219 189 A C 1.992 179.593 177.584 0.028 0.000 1.176 189 A CA 2.062 54.126 52.037 0.044 0.000 0.631 189 A CB -0.681 18.338 19.000 0.031 0.000 0.814 189 A HN 0.342 nan 8.150 nan 0.000 0.446 190 D N -0.411 120.021 120.400 0.053 0.000 2.117 190 D HA -0.130 4.511 4.640 0.001 0.000 0.197 190 D C 2.040 178.356 176.300 0.027 0.000 0.987 190 D CA 1.457 55.485 54.000 0.047 0.000 0.829 190 D CB -0.377 40.467 40.800 0.074 0.000 0.961 190 D HN 0.520 nan 8.370 nan 0.000 0.460 191 M N 0.439 120.047 119.600 0.013 0.000 2.117 191 M HA -0.100 4.381 4.480 0.001 0.000 0.262 191 M C 2.328 178.572 176.300 -0.092 0.000 1.065 191 M CA 1.383 56.652 55.300 -0.052 0.000 1.114 191 M CB -0.232 32.294 32.600 -0.123 0.000 1.361 191 M HN -0.026 nan 8.290 nan 0.000 0.408 192 A N 0.565 123.319 122.820 -0.109 0.000 1.940 192 A HA -0.188 4.132 4.320 0.001 0.000 0.219 192 A C 2.269 179.807 177.584 -0.077 0.000 1.176 192 A CA 2.212 54.162 52.037 -0.145 0.000 0.631 192 A CB -1.033 17.876 19.000 -0.151 0.000 0.814 192 A HN 0.608 nan 8.150 nan 0.000 0.446 193 S N -1.094 114.587 115.700 -0.032 0.000 2.507 193 S HA -0.011 4.460 4.470 0.001 0.000 0.235 193 S C 1.314 175.927 174.600 0.020 0.000 0.988 193 S CA 1.335 59.533 58.200 -0.002 0.000 0.944 193 S CB -0.287 62.920 63.200 0.011 0.000 0.762 193 S HN 0.229 nan 8.310 nan 0.000 0.526 194 L N 1.273 122.510 121.223 0.022 0.000 2.554 194 L HA 0.389 4.729 4.340 0.001 0.000 0.225 194 L C 0.495 177.427 176.870 0.104 0.000 1.104 194 L CA 0.145 55.037 54.840 0.088 0.000 0.866 194 L CB -0.276 41.843 42.059 0.101 0.000 1.047 194 L HN 0.146 nan 8.230 nan 0.000 0.468 195 V N 1.329 121.248 119.914 0.007 0.000 2.655 195 V HA -0.016 4.105 4.120 0.001 0.000 0.300 195 V C 0.767 176.896 176.094 0.059 0.000 1.044 195 V CA -0.311 61.984 62.300 -0.008 0.000 1.095 195 V CB 0.508 32.295 31.823 -0.059 0.000 0.952 195 V HN 0.319 nan 8.190 nan 0.000 0.485 196 N N 4.801 123.554 118.700 0.089 0.000 2.448 196 N HA 0.049 4.790 4.740 0.001 0.000 0.250 196 N C 1.087 176.647 175.510 0.083 0.000 1.136 196 N CA -0.103 53.009 53.050 0.104 0.000 0.953 196 N CB 1.096 39.665 38.487 0.136 0.000 1.251 196 N HN 0.588 nan 8.380 nan 0.000 0.502 197 Q N 2.899 122.744 119.800 0.075 0.000 2.135 197 Q HA -0.152 4.188 4.340 0.001 0.000 0.204 197 Q C 1.063 177.114 176.000 0.086 0.000 0.981 197 Q CA 1.593 57.447 55.803 0.085 0.000 0.856 197 Q CB 0.039 28.819 28.738 0.070 0.000 0.902 197 Q HN 0.524 nan 8.270 nan 0.000 0.425 198 K N 0.538 120.981 120.400 0.071 0.000 2.097 198 K HA -0.032 4.289 4.320 0.001 0.000 0.205 198 K C 2.007 178.656 176.600 0.081 0.000 1.050 198 K CA 1.160 57.486 56.287 0.066 0.000 0.938 198 K CB -0.297 32.234 32.500 0.051 0.000 0.718 198 K HN 0.197 nan 8.250 nan 0.000 0.442 199 A N 0.741 123.613 122.820 0.087 0.000 1.898 199 A HA -0.121 4.199 4.320 0.001 0.000 0.216 199 A C 2.062 179.726 177.584 0.133 0.000 1.181 199 A CA 1.138 53.234 52.037 0.097 0.000 0.620 199 A CB -0.563 18.485 19.000 0.081 0.000 0.819 199 A HN 0.230 nan 8.150 nan 0.000 0.442 200 L N -0.057 121.249 121.223 0.138 0.000 2.017 200 L HA -0.083 4.258 4.340 0.001 0.000 0.208 200 L C 2.691 179.689 176.870 0.213 0.000 1.073 200 L CA 2.279 57.242 54.840 0.204 0.000 0.745 200 L CB -0.927 41.254 42.059 0.204 0.000 0.894 200 L HN 0.346 nan 8.230 nan 0.000 0.432 201 A N -0.807 122.095 122.820 0.136 0.000 1.908 201 A HA -0.241 4.079 4.320 0.001 0.000 0.218 201 A C 2.145 179.772 177.584 0.072 0.000 1.181 201 A CA 1.929 54.018 52.037 0.086 0.000 0.627 201 A CB -0.665 18.371 19.000 0.061 0.000 0.818 201 A HN 0.645 nan 8.150 nan 0.000 0.445 202 E N -1.409 118.848 120.200 0.095 0.000 2.150 202 E HA -0.156 4.194 4.350 0.001 0.000 0.193 202 E C 1.755 178.425 176.600 0.118 0.000 0.985 202 E CA 1.132 57.582 56.400 0.083 0.000 0.814 202 E CB -0.286 29.467 29.700 0.088 0.000 0.752 202 E HN 0.722 nan 8.360 nan 0.000 0.466 203 F N 2.654 122.614 119.950 0.015 0.000 2.095 203 F HA -0.186 4.341 4.527 0.001 0.000 0.298 203 F C 2.088 177.898 175.800 0.017 0.000 1.104 203 F CA 1.470 59.477 58.000 0.011 0.000 1.232 203 F CB -0.064 38.943 39.000 0.012 0.000 0.987 203 F HN -0.179 nan 8.300 nan 0.000 0.475 204 R N 1.036 121.391 120.500 -0.242 0.000 2.083 204 R HA -0.114 4.227 4.340 0.001 0.000 0.237 204 R C 2.473 178.672 176.300 -0.168 0.000 1.137 204 R CA 1.424 57.325 56.100 -0.332 0.000 0.951 204 R CB -1.803 28.413 30.300 -0.140 0.000 0.851 204 R HN 0.441 nan 8.270 nan 0.000 0.434 205 A N 2.571 125.343 122.820 -0.080 0.000 1.908 205 A HA -0.227 4.093 4.320 0.001 0.000 0.218 205 A C 2.085 179.659 177.584 -0.017 0.000 1.181 205 A CA 2.094 54.092 52.037 -0.065 0.000 0.627 205 A CB -0.413 18.545 19.000 -0.071 0.000 0.818 205 A HN 0.509 nan 8.150 nan 0.000 0.445 206 K N -0.439 119.943 120.400 -0.030 0.000 2.459 206 K HA 0.174 4.495 4.320 0.001 0.000 0.193 206 K C 0.408 176.995 176.600 -0.022 0.000 1.030 206 K CA 0.530 56.797 56.287 -0.034 0.000 1.026 206 K CB -0.038 32.437 32.500 -0.041 0.000 0.809 206 K HN 0.247 nan 8.250 nan 0.000 0.504 207 S N 1.453 117.125 115.700 -0.046 0.000 2.596 207 S HA 0.151 4.621 4.470 0.001 0.000 0.260 207 S C 0.270 174.932 174.600 0.102 0.000 1.336 207 S CA -0.587 57.591 58.200 -0.037 0.000 0.993 207 S CB 0.429 63.471 63.200 -0.263 0.000 0.923 207 S HN 0.210 nan 8.310 nan 0.000 0.567 208 M N 3.012 122.658 119.600 0.077 0.000 2.252 208 M HA 0.113 4.593 4.480 0.001 0.000 0.348 208 M C 0.283 176.492 176.300 -0.152 0.000 1.334 208 M CA 0.730 56.008 55.300 -0.037 0.000 1.071 208 M CB -0.146 32.389 32.600 -0.108 0.000 1.763 208 M HN 0.522 nan 8.290 nan 0.000 0.452 209 N N 4.429 122.969 118.700 -0.266 0.000 2.929 209 N HA 0.158 4.898 4.740 0.001 0.000 0.245 209 N C -2.566 172.726 175.510 -0.363 0.000 1.081 209 N CA -0.877 51.958 53.050 -0.357 0.000 1.048 209 N CB 2.086 40.243 38.487 -0.550 0.000 1.629 209 N HN 0.230 nan 8.380 nan 0.000 0.598 210 P HA -0.072 nan 4.420 nan 0.000 0.226 210 P C 0.583 177.807 177.300 -0.127 0.000 1.146 210 P CA 1.056 64.065 63.100 -0.152 0.000 0.773 210 P CB 0.673 32.310 31.700 -0.105 0.000 0.772 211 E N -0.252 119.850 120.200 -0.163 0.000 2.216 211 E HA -0.101 4.250 4.350 0.001 0.000 0.192 211 E C 0.865 177.502 176.600 0.062 0.000 0.988 211 E CA 0.782 57.165 56.400 -0.028 0.000 0.834 211 E CB -0.223 29.517 29.700 0.066 0.000 0.772 211 E HN 0.555 nan 8.360 nan 0.000 0.479 212 H N -2.358 116.714 119.070 0.004 0.000 2.696 212 H HA 0.284 4.840 4.556 0.001 0.000 0.221 212 H C -2.776 172.584 175.328 0.054 0.000 1.399 212 H CA -1.787 54.274 56.048 0.022 0.000 1.408 212 H CB -0.358 29.416 29.762 0.019 0.000 1.853 212 H HN -0.029 nan 8.280 nan 0.000 0.546 213 P HA 0.152 nan 4.420 nan 0.000 0.273 213 P C -0.072 177.283 177.300 0.092 0.000 1.250 213 P CA 0.382 63.460 63.100 -0.038 0.000 0.793 213 P CB 1.600 33.246 31.700 -0.090 0.000 1.011 214 H N -2.393 116.666 119.070 -0.018 0.000 2.981 214 H HA 0.469 5.025 4.556 0.001 0.000 0.327 214 H C -1.766 173.559 175.328 -0.006 0.000 1.342 214 H CA -0.982 55.067 56.048 0.001 0.000 1.123 214 H CB 1.067 30.838 29.762 0.016 0.000 1.851 214 H HN 0.311 nan 8.280 nan 0.000 0.531 215 V N 1.810 121.750 119.914 0.044 0.000 2.513 215 V HA 0.629 4.749 4.120 0.001 0.000 0.299 215 V C -0.339 175.817 176.094 0.103 0.000 1.035 215 V CA -0.604 61.687 62.300 -0.016 0.000 0.889 215 V CB 1.274 33.106 31.823 0.014 0.000 0.988 215 V HN 0.991 nan 8.190 nan 0.000 0.440 216 R N 4.461 124.988 120.500 0.046 0.000 2.795 216 R HA 0.764 5.104 4.340 0.001 0.000 0.275 216 R C 0.225 176.572 176.300 0.077 0.000 0.981 216 R CA -0.295 55.876 56.100 0.117 0.000 0.917 216 R CB 1.777 32.178 30.300 0.168 0.000 1.202 216 R HN 1.758 nan 8.270 nan 0.000 0.469 217 G N 1.552 110.412 108.800 0.101 0.000 2.291 217 G HA2 -0.289 3.672 3.960 0.001 0.000 0.271 217 G HA3 -0.289 3.672 3.960 0.001 0.000 0.271 217 G C 0.061 175.003 174.900 0.071 0.000 1.099 217 G CA 0.308 45.464 45.100 0.093 0.000 0.919 217 G HN 1.075 nan 8.290 nan 0.000 0.496 218 T N -2.127 112.472 114.554 0.076 0.000 2.754 218 T HA 0.775 5.125 4.350 0.001 0.000 0.286 218 T C 0.578 175.320 174.700 0.070 0.000 0.997 218 T CA 0.381 62.519 62.100 0.064 0.000 0.982 218 T CB 2.080 70.988 68.868 0.067 0.000 1.027 218 T HN 1.863 nan 8.240 nan 0.000 0.529 219 A N 1.059 123.913 122.820 0.056 0.000 2.318 219 A HA 0.624 4.945 4.320 0.001 0.000 0.324 219 A C -0.299 177.322 177.584 0.063 0.000 1.170 219 A CA -0.873 51.194 52.037 0.049 0.000 0.810 219 A CB 0.827 19.840 19.000 0.022 0.000 1.198 219 A HN 0.837 nan 8.150 nan 0.000 0.484 220 Q N 1.507 121.359 119.800 0.086 0.000 2.375 220 Q HA 0.317 4.657 4.340 0.001 0.000 0.271 220 Q C -0.679 175.367 176.000 0.075 0.000 1.074 220 Q CA -0.603 55.267 55.803 0.112 0.000 0.808 220 Q CB 2.237 31.098 28.738 0.206 0.000 1.327 220 Q HN 0.912 nan 8.270 nan 0.000 0.441 221 N N 1.460 120.201 118.700 0.069 0.000 2.364 221 N HA 0.131 4.871 4.740 0.001 0.000 0.264 221 N C -1.858 173.700 175.510 0.080 0.000 1.263 221 N CA -1.444 51.633 53.050 0.044 0.000 0.959 221 N CB 0.476 38.985 38.487 0.038 0.000 1.204 221 N HN 0.307 nan 8.380 nan 0.000 0.550 222 P HA -0.151 nan 4.420 nan 0.000 0.221 222 P C 0.327 177.700 177.300 0.121 0.000 1.145 222 P CA 1.005 64.160 63.100 0.092 0.000 0.795 222 P CB 0.023 31.755 31.700 0.053 0.000 0.775 223 D N 0.186 120.641 120.400 0.092 0.000 2.178 223 D HA -0.165 4.475 4.640 0.001 0.000 0.201 223 D C 1.611 177.967 176.300 0.095 0.000 0.980 223 D CA 1.349 55.398 54.000 0.081 0.000 0.842 223 D CB -0.924 39.910 40.800 0.057 0.000 0.948 223 D HN 0.357 nan 8.370 nan 0.000 0.472 224 I N -5.089 115.554 120.570 0.122 0.000 4.557 224 I HA 0.284 4.455 4.170 0.001 0.000 0.333 224 I C 1.770 177.981 176.117 0.158 0.000 1.332 224 I CA -0.715 60.654 61.300 0.115 0.000 1.240 224 I CB -0.075 37.974 38.000 0.082 0.000 1.312 224 I HN -0.212 nan 8.210 nan 0.000 0.457 225 Y N 2.066 122.421 120.300 0.090 0.000 2.097 225 Y HA -0.252 4.298 4.550 0.001 0.000 0.282 225 Y C 2.257 178.258 175.900 0.169 0.000 1.152 225 Y CA 2.476 60.633 58.100 0.096 0.000 1.136 225 Y CB -0.431 38.064 38.460 0.058 0.000 0.975 225 Y HN 0.275 nan 8.280 nan 0.000 0.498 226 F N 0.456 120.426 119.950 0.034 0.000 2.095 226 F HA -0.371 4.157 4.527 0.001 0.000 0.298 226 F C 2.224 177.961 175.800 -0.104 0.000 1.104 226 F CA 1.507 59.479 58.000 -0.047 0.000 1.232 226 F CB -0.082 38.947 39.000 0.047 0.000 0.987 226 F HN 0.175 nan 8.300 nan 0.000 0.475 227 Q N 0.198 120.059 119.800 0.102 0.000 2.096 227 Q HA -0.142 4.198 4.340 0.001 0.000 0.204 227 Q C 2.351 178.345 176.000 -0.010 0.000 0.982 227 Q CA 1.684 57.475 55.803 -0.020 0.000 0.850 227 Q CB -0.941 27.781 28.738 -0.026 0.000 0.901 227 Q HN 0.535 nan 8.270 nan 0.000 0.422 228 G N 0.202 108.982 108.800 -0.035 0.000 2.432 228 G HA2 -0.296 3.664 3.960 0.001 0.000 0.219 228 G HA3 -0.296 3.664 3.960 0.001 0.000 0.219 228 G C 1.533 176.368 174.900 -0.108 0.000 1.135 228 G CA 0.709 45.769 45.100 -0.068 0.000 0.767 228 G HN 0.158 nan 8.290 nan 0.000 0.550 229 R N 0.415 120.799 120.500 -0.193 0.000 2.115 229 R HA 0.054 4.395 4.340 0.001 0.000 0.226 229 R C 2.160 178.445 176.300 -0.024 0.000 1.100 229 R CA 0.981 56.976 56.100 -0.175 0.000 0.980 229 R CB -0.078 30.044 30.300 -0.297 0.000 0.875 229 R HN 0.209 nan 8.270 nan 0.000 0.445 230 E N -0.329 119.895 120.200 0.041 0.000 2.385 230 E HA 0.050 4.401 4.350 0.001 0.000 0.194 230 E C 1.555 178.182 176.600 0.045 0.000 1.013 230 E CA 0.743 57.175 56.400 0.053 0.000 0.866 230 E CB 0.223 29.951 29.700 0.047 0.000 0.832 230 E HN 0.394 nan 8.360 nan 0.000 0.500 231 A N 1.243 124.087 122.820 0.040 0.000 2.131 231 A HA -0.060 4.261 4.320 0.001 0.000 0.220 231 A C 2.193 179.863 177.584 0.144 0.000 1.158 231 A CA 1.509 53.587 52.037 0.069 0.000 0.665 231 A CB -0.227 18.803 19.000 0.051 0.000 0.795 231 A HN 0.201 nan 8.150 nan 0.000 0.460 232 A N -0.369 122.546 122.820 0.158 0.000 2.251 232 A HA 0.041 4.361 4.320 0.001 0.000 0.209 232 A C 1.536 179.349 177.584 0.382 0.000 1.187 232 A CA 0.620 52.836 52.037 0.298 0.000 0.823 232 A CB -0.671 18.489 19.000 0.267 0.000 0.846 232 A HN 0.699 nan 8.150 nan 0.000 0.486 233 N N 0.812 119.642 118.700 0.216 0.000 2.069 233 N HA -0.192 4.548 4.740 0.001 0.000 0.196 233 N C -1.051 174.568 175.510 0.182 0.000 1.024 233 N CA 1.750 54.905 53.050 0.175 0.000 0.869 233 N CB -0.866 37.672 38.487 0.084 0.000 1.035 233 N HN 0.332 nan 8.380 nan 0.000 0.434 234 P HA -0.161 nan 4.420 nan 0.000 0.216 234 P C 0.638 177.859 177.300 -0.131 0.000 1.150 234 P CA 1.245 64.314 63.100 -0.051 0.000 0.843 234 P CB -0.065 31.541 31.700 -0.156 0.000 0.787 235 Y N -2.764 117.572 120.300 0.060 0.000 2.200 235 Y HA -0.172 4.378 4.550 0.001 0.000 0.290 235 Y C 2.312 178.161 175.900 -0.085 0.000 1.137 235 Y CA 1.322 59.405 58.100 -0.028 0.000 1.163 235 Y CB -1.248 37.165 38.460 -0.078 0.000 0.988 235 Y HN -0.028 nan 8.280 nan 0.000 0.518 236 Y N -0.653 119.720 120.300 0.120 0.000 2.352 236 Y HA -0.156 4.395 4.550 0.001 0.000 0.292 236 Y C 2.142 178.059 175.900 0.029 0.000 1.136 236 Y CA 0.973 59.104 58.100 0.051 0.000 1.227 236 Y CB -0.555 37.922 38.460 0.030 0.000 0.991 236 Y HN 0.078 nan 8.280 nan 0.000 0.545 237 L N -0.247 121.066 121.223 0.150 0.000 2.201 237 L HA -0.198 4.143 4.340 0.001 0.000 0.212 237 L C 1.879 178.774 176.870 0.042 0.000 1.105 237 L CA 1.412 56.301 54.840 0.082 0.000 0.775 237 L CB -0.278 41.811 42.059 0.049 0.000 0.913 237 L HN 0.140 nan 8.230 nan 0.000 0.440 238 K N -0.908 119.500 120.400 0.012 0.000 2.393 238 K HA 0.016 4.336 4.320 0.001 0.000 0.193 238 K C 1.881 178.499 176.600 0.030 0.000 1.026 238 K CA 0.221 56.509 56.287 0.003 0.000 1.064 238 K CB 0.460 32.937 32.500 -0.038 0.000 0.833 238 K HN 0.116 nan 8.250 nan 0.000 0.521 239 V N 2.473 122.408 119.914 0.035 0.000 2.407 239 V HA -0.127 3.994 4.120 0.001 0.000 0.248 239 V C -1.169 174.987 176.094 0.104 0.000 1.055 239 V CA 1.591 63.933 62.300 0.071 0.000 1.049 239 V CB -0.487 31.338 31.823 0.004 0.000 0.662 239 V HN 0.126 nan 8.190 nan 0.000 0.455 240 P HA -0.066 nan 4.420 nan 0.000 0.215 240 P C 1.703 179.048 177.300 0.076 0.000 1.153 240 P CA 1.925 65.073 63.100 0.080 0.000 0.853 240 P CB -0.522 31.221 31.700 0.072 0.000 0.788 241 G N -0.615 108.219 108.800 0.058 0.000 2.422 241 G HA2 -0.189 3.772 3.960 0.001 0.000 0.218 241 G HA3 -0.189 3.772 3.960 0.001 0.000 0.218 241 G C 1.514 176.435 174.900 0.034 0.000 1.140 241 G CA 0.355 45.477 45.100 0.038 0.000 0.775 241 G HN 0.227 nan 8.290 nan 0.000 0.545 242 I N 0.381 120.988 120.570 0.062 0.000 2.315 242 I HA -0.134 4.036 4.170 0.001 0.000 0.248 242 I C 2.709 178.919 176.117 0.155 0.000 1.117 242 I CA 0.397 61.751 61.300 0.090 0.000 1.404 242 I CB -0.118 37.967 38.000 0.141 0.000 1.071 242 I HN 0.021 nan 8.210 nan 0.000 0.419 243 V N 0.995 121.003 119.914 0.157 0.000 2.307 243 V HA -0.272 3.848 4.120 0.001 0.000 0.245 243 V C 2.734 178.897 176.094 0.116 0.000 1.045 243 V CA 1.975 64.368 62.300 0.154 0.000 1.024 243 V CB -0.994 30.933 31.823 0.174 0.000 0.651 243 V HN 0.479 nan 8.190 nan 0.000 0.449 244 A N -0.459 122.411 122.820 0.084 0.000 1.908 244 A HA 0.123 4.444 4.320 0.001 0.000 0.218 244 A C 1.183 178.790 177.584 0.038 0.000 1.181 244 A CA 2.511 54.588 52.037 0.067 0.000 0.627 244 A CB -0.345 18.688 19.000 0.056 0.000 0.818 244 A HN 0.859 nan 8.150 nan 0.000 0.445 245 E N -4.824 115.368 120.200 -0.013 0.000 0.000 245 E HA 0.544 4.894 4.350 0.001 0.000 0.000 245 E C -0.414 nan 176.600 nan 0.000 0.000 245 E CA 0.064 56.391 56.400 -0.122 0.000 0.000 245 E CB -0.159 nan 29.700 nan 0.000 0.000 245 E HN 0.608 nan 8.360 nan 0.000 0.000 246 Y N -1.849 118.447 120.300 -0.007 0.000 0.000 246 Y HA 0.095 4.645 4.550 0.001 0.000 0.000 246 Y C 2.120 178.024 175.900 0.007 0.000 0.000 246 Y CA 0.563 58.651 58.100 -0.019 0.000 0.000 246 Y CB 0.131 38.552 38.460 -0.065 0.000 0.000 246 Y HN 0.512 nan 8.280 nan 0.000 0.000 247 M N 0.650 120.343 119.600 0.155 0.000 2.175 247 M HA -0.217 4.263 4.480 0.001 0.000 0.264 247 M C 2.589 178.980 176.300 0.152 0.000 1.063 247 M CA 2.439 57.840 55.300 0.169 0.000 1.119 247 M CB -0.347 32.362 32.600 0.181 0.000 1.377 247 M HN 0.488 nan 8.290 nan 0.000 0.415 248 Q N 1.266 121.119 119.800 0.088 0.000 2.020 248 Q HA -0.194 4.147 4.340 0.001 0.000 0.202 248 Q C 1.883 177.913 176.000 0.049 0.000 0.982 248 Q CA 2.057 57.892 55.803 0.053 0.000 0.838 248 Q CB -0.922 27.823 28.738 0.012 0.000 0.899 248 Q HN 0.587 nan 8.270 nan 0.000 0.423 249 K N -0.211 120.211 120.400 0.036 0.000 2.009 249 K HA -0.078 4.242 4.320 0.001 0.000 0.210 249 K C 2.228 178.882 176.600 0.089 0.000 1.049 249 K CA 1.441 57.757 56.287 0.047 0.000 0.929 249 K CB -0.460 32.066 32.500 0.044 0.000 0.714 249 K HN 0.306 nan 8.250 nan 0.000 0.440 250 V N 1.534 121.525 119.914 0.128 0.000 2.332 250 V HA -0.282 3.838 4.120 0.001 0.000 0.248 250 V C 2.403 178.574 176.094 0.128 0.000 1.055 250 V CA 2.058 64.438 62.300 0.133 0.000 1.038 250 V CB -0.774 31.137 31.823 0.147 0.000 0.651 250 V HN 0.390 nan 8.190 nan 0.000 0.450 251 A N 0.839 123.735 122.820 0.126 0.000 1.940 251 A HA -0.229 4.091 4.320 0.001 0.000 0.219 251 A C 2.511 180.130 177.584 0.057 0.000 1.176 251 A CA 2.325 54.416 52.037 0.089 0.000 0.631 251 A CB -0.798 18.240 19.000 0.064 0.000 0.814 251 A HN 0.716 nan 8.150 nan 0.000 0.446 252 S N -0.561 115.169 115.700 0.051 0.000 2.442 252 S HA -0.001 4.470 4.470 0.001 0.000 0.236 252 S C 1.699 176.324 174.600 0.041 0.000 1.007 252 S CA 1.356 59.578 58.200 0.036 0.000 0.965 252 S CB -0.423 62.794 63.200 0.029 0.000 0.773 252 S HN 0.463 nan 8.310 nan 0.000 0.504 253 L N 1.169 122.425 121.223 0.056 0.000 2.253 253 L HA 0.074 4.415 4.340 0.001 0.000 0.205 253 L C 2.946 179.851 176.870 0.058 0.000 1.078 253 L CA 1.398 56.272 54.840 0.057 0.000 0.805 253 L CB -0.435 41.667 42.059 0.071 0.000 0.963 253 L HN 0.578 nan 8.230 nan 0.000 0.459 254 T N -4.740 109.857 114.554 0.072 0.000 3.037 254 T HA 0.196 4.547 4.350 0.001 0.000 0.252 254 T C 1.480 176.207 174.700 0.045 0.000 1.073 254 T CA 0.647 62.788 62.100 0.068 0.000 1.091 254 T CB 0.750 69.684 68.868 0.109 0.000 0.935 254 T HN 0.369 nan 8.240 nan 0.000 0.488 255 G N 1.748 110.570 108.800 0.036 0.000 2.176 255 G HA2 -0.228 3.732 3.960 0.001 0.000 0.253 255 G HA3 -0.228 3.732 3.960 0.001 0.000 0.253 255 G C 0.091 174.981 174.900 -0.016 0.000 0.979 255 G CA -0.143 44.964 45.100 0.013 0.000 0.641 255 G HN 0.673 nan 8.290 nan 0.000 0.530 256 R N 0.928 121.417 120.500 -0.019 0.000 2.246 256 R HA 0.555 4.895 4.340 0.001 0.000 0.332 256 R C -0.324 175.810 176.300 -0.276 0.000 0.974 256 R CA -0.241 55.777 56.100 -0.137 0.000 0.837 256 R CB 1.371 31.642 30.300 -0.049 0.000 1.145 256 R HN 0.177 nan 8.270 nan 0.000 0.467 257 S N 2.341 117.820 115.700 -0.369 0.000 2.585 257 S HA 0.532 5.003 4.470 0.001 0.000 0.277 257 S C -0.955 173.301 174.600 -0.573 0.000 1.241 257 S CA -0.365 57.652 58.200 -0.305 0.000 1.041 257 S CB 0.670 63.794 63.200 -0.128 0.000 0.987 257 S HN 0.362 nan 8.310 nan 0.000 0.512 258 Y N 0.299 120.626 120.300 0.046 0.000 2.597 258 Y HA 0.542 5.093 4.550 0.001 0.000 0.340 258 Y C -0.022 175.907 175.900 0.048 0.000 1.097 258 Y CA -1.115 57.013 58.100 0.047 0.000 1.037 258 Y CB 1.729 40.213 38.460 0.040 0.000 1.305 258 Y HN 0.444 nan 8.280 nan 0.000 0.463 259 K N 0.630 121.166 120.400 0.226 0.000 2.466 259 K HA 0.394 4.715 4.320 0.001 0.000 0.260 259 K C -0.314 176.351 176.600 0.108 0.000 1.011 259 K CA -0.923 55.455 56.287 0.152 0.000 0.871 259 K CB 1.959 34.546 32.500 0.144 0.000 1.404 259 K HN 0.311 nan 8.250 nan 0.000 0.450 260 L N 0.555 121.818 121.223 0.067 0.000 2.081 260 L HA -0.026 4.315 4.340 0.001 0.000 0.212 260 L C 0.161 176.828 176.870 -0.338 0.000 1.080 260 L CA 1.787 56.567 54.840 -0.100 0.000 0.754 260 L CB -0.445 41.602 42.059 -0.020 0.000 0.893 260 L HN 0.421 nan 8.230 nan 0.000 0.433 261 F N -1.467 118.527 119.950 0.073 0.000 2.561 261 F HA 0.387 4.915 4.527 0.001 0.000 0.313 261 F C -0.208 175.655 175.800 0.105 0.000 1.126 261 F CA -1.247 56.810 58.000 0.094 0.000 0.918 261 F CB 1.642 40.681 39.000 0.065 0.000 1.199 261 F HN -0.260 nan 8.300 nan 0.000 0.444 262 D N 1.926 122.498 120.400 0.288 0.000 2.498 262 D HA 0.191 4.832 4.640 0.001 0.000 0.247 262 D C -1.511 174.930 176.300 0.236 0.000 1.070 262 D CA -0.323 53.812 54.000 0.226 0.000 0.842 262 D CB 2.675 43.582 40.800 0.177 0.000 1.361 262 D HN 0.482 nan 8.370 nan 0.000 0.484 263 Y N 1.562 121.921 120.300 0.097 0.000 2.387 263 Y HA 0.528 5.079 4.550 0.001 0.000 0.336 263 Y C -1.113 174.832 175.900 0.076 0.000 1.067 263 Y CA -0.351 57.798 58.100 0.081 0.000 1.114 263 Y CB 1.207 39.692 38.460 0.042 0.000 1.208 263 Y HN 0.108 nan 8.280 nan 0.000 0.458 264 V N 4.750 124.152 119.914 -0.852 0.000 2.888 264 V HA 0.882 5.003 4.120 0.001 0.000 0.309 264 V C -0.063 175.553 176.094 -0.797 0.000 1.114 264 V CA -0.033 61.948 62.300 -0.531 0.000 0.940 264 V CB 1.358 33.051 31.823 -0.215 0.000 1.021 264 V HN 1.232 nan 8.190 nan 0.000 0.426 265 G N 2.702 111.326 108.800 -0.293 0.000 2.343 265 G HA2 0.489 4.450 3.960 0.001 0.000 0.562 265 G HA3 0.489 4.450 3.960 0.001 0.000 0.562 265 G C -0.305 174.688 174.900 0.155 0.000 1.269 265 G CA -0.088 44.954 45.100 -0.097 0.000 1.011 265 G HN 1.658 nan 8.290 nan 0.000 0.498 266 A N 0.399 123.314 122.820 0.158 0.000 2.520 266 A HA 0.603 4.923 4.320 0.001 0.000 0.245 266 A C -0.607 177.109 177.584 0.219 0.000 1.072 266 A CA 0.285 52.414 52.037 0.152 0.000 0.761 266 A CB 0.134 19.187 19.000 0.088 0.000 1.004 266 A HN 0.435 nan 8.150 nan 0.000 0.499 267 P HA -0.105 nan 4.420 nan 0.000 0.222 267 P C 0.251 177.560 177.300 0.015 0.000 1.147 267 P CA 1.560 64.699 63.100 0.066 0.000 0.790 267 P CB 0.169 31.897 31.700 0.046 0.000 0.780 268 D N -1.883 118.543 120.400 0.043 0.000 2.559 268 D HA 0.212 4.853 4.640 0.001 0.000 0.234 268 D C 0.133 176.465 176.300 0.053 0.000 1.226 268 D CA -0.685 53.334 54.000 0.031 0.000 0.830 268 D CB -0.618 40.197 40.800 0.025 0.000 1.028 268 D HN -0.067 nan 8.370 nan 0.000 0.492 269 A N 0.594 123.468 122.820 0.091 0.000 2.498 269 A HA 0.171 4.491 4.320 0.001 0.000 0.239 269 A C 0.915 178.562 177.584 0.105 0.000 1.068 269 A CA -0.078 52.030 52.037 0.119 0.000 0.766 269 A CB 0.427 19.558 19.000 0.219 0.000 1.003 269 A HN 0.252 nan 8.150 nan 0.000 0.497 270 E N 0.944 121.204 120.200 0.100 0.000 2.389 270 E HA 0.046 4.397 4.350 0.001 0.000 0.199 270 E C -0.019 176.657 176.600 0.128 0.000 0.978 270 E CA 0.296 56.753 56.400 0.096 0.000 0.912 270 E CB 0.367 30.110 29.700 0.071 0.000 0.907 270 E HN 0.652 nan 8.360 nan 0.000 0.494 271 R N 1.337 121.936 120.500 0.166 0.000 2.360 271 R HA 0.466 4.806 4.340 0.001 0.000 0.318 271 R C -1.197 175.303 176.300 0.334 0.000 0.950 271 R CA -0.363 55.876 56.100 0.231 0.000 0.837 271 R CB 2.261 32.723 30.300 0.269 0.000 1.165 271 R HN -0.140 nan 8.270 nan 0.000 0.458 272 V N 4.882 124.977 119.914 0.301 0.000 2.823 272 V HA 0.538 4.659 4.120 0.001 0.000 0.312 272 V C -0.088 176.158 176.094 0.254 0.000 1.072 272 V CA -0.818 61.688 62.300 0.342 0.000 0.937 272 V CB 2.506 34.535 31.823 0.342 0.000 1.013 272 V HN 0.616 nan 8.190 nan 0.000 0.430 273 I N 2.757 123.465 120.570 0.230 0.000 2.562 273 I HA 0.574 4.745 4.170 0.001 0.000 0.301 273 I C -0.893 175.356 176.117 0.219 0.000 1.003 273 I CA -0.961 60.418 61.300 0.133 0.000 1.127 273 I CB 2.213 40.210 38.000 -0.005 0.000 1.304 273 I HN 0.236 nan 8.210 nan 0.000 0.446 274 V N 4.230 124.286 119.914 0.236 0.000 2.444 274 V HA 0.503 4.624 4.120 0.001 0.000 0.294 274 V C -0.249 175.999 176.094 0.256 0.000 1.022 274 V CA -0.177 62.317 62.300 0.323 0.000 0.850 274 V CB 1.549 33.630 31.823 0.430 0.000 0.992 274 V HN 0.809 nan 8.190 nan 0.000 0.426 275 S N 4.561 120.415 115.700 0.257 0.000 2.651 275 S HA 0.868 5.338 4.470 0.001 0.000 0.279 275 S C -1.146 173.619 174.600 0.275 0.000 1.148 275 S CA -0.645 57.684 58.200 0.214 0.000 0.837 275 S CB 1.949 65.199 63.200 0.083 0.000 1.138 275 S HN 0.735 nan 8.310 nan 0.000 0.478 276 M N 1.925 121.710 119.600 0.308 0.000 2.378 276 M HA 0.621 5.101 4.480 0.001 0.000 0.289 276 M C -0.200 176.336 176.300 0.393 0.000 1.136 276 M CA 0.672 56.167 55.300 0.325 0.000 0.917 276 M CB 1.416 34.221 32.600 0.342 0.000 1.669 276 M HN 1.151 nan 8.290 nan 0.000 0.461 277 G N 1.756 110.719 108.800 0.272 0.000 2.587 277 G HA2 -0.237 3.723 3.960 0.001 0.000 0.212 277 G HA3 -0.237 3.723 3.960 0.001 0.000 0.212 277 G C 0.282 175.331 174.900 0.250 0.000 1.327 277 G CA 0.216 45.490 45.100 0.291 0.000 0.898 277 G HN 1.390 nan 8.290 nan 0.000 0.551 278 S N -0.443 115.413 115.700 0.260 0.000 2.420 278 S HA -0.160 4.311 4.470 0.001 0.000 0.237 278 S C 2.675 177.420 174.600 0.242 0.000 1.023 278 S CA 2.723 61.060 58.200 0.228 0.000 0.991 278 S CB -0.759 62.576 63.200 0.224 0.000 0.792 278 S HN 2.382 nan 8.310 nan 0.000 0.488 279 S N 0.926 116.790 115.700 0.273 0.000 2.400 279 S HA -0.158 4.313 4.470 0.001 0.000 0.232 279 S C 1.973 176.725 174.600 0.253 0.000 1.025 279 S CA 1.073 59.449 58.200 0.292 0.000 0.993 279 S CB -1.583 61.634 63.200 0.028 0.000 0.808 279 S HN 0.697 nan 8.310 nan 0.000 0.478 280 C N 1.927 121.348 119.300 0.202 0.000 2.413 280 C HA -0.002 4.459 4.460 0.001 0.000 0.277 280 C C 2.986 178.073 174.990 0.161 0.000 1.265 280 C CA 0.742 59.865 59.018 0.175 0.000 1.752 280 C CB -1.216 26.623 27.740 0.165 0.000 1.998 280 C HN 0.602 nan 8.230 nan 0.000 0.489 281 E N 0.463 120.761 120.200 0.163 0.000 2.051 281 E HA -0.147 4.203 4.350 0.001 0.000 0.192 281 E C 2.230 178.920 176.600 0.151 0.000 0.991 281 E CA 1.658 58.140 56.400 0.136 0.000 0.799 281 E CB -0.745 29.029 29.700 0.123 0.000 0.748 281 E HN 0.594 nan 8.360 nan 0.000 0.449 282 T N 1.688 116.361 114.554 0.199 0.000 2.821 282 T HA -0.053 4.297 4.350 0.001 0.000 0.267 282 T C 2.125 176.910 174.700 0.141 0.000 1.046 282 T CA 0.722 62.949 62.100 0.212 0.000 1.139 282 T CB -0.163 68.853 68.868 0.248 0.000 0.871 282 T HN 0.094 nan 8.240 nan 0.000 0.454 283 I N 0.927 121.597 120.570 0.167 0.000 2.226 283 I HA -0.163 4.008 4.170 0.001 0.000 0.245 283 I C 2.708 178.916 176.117 0.151 0.000 1.100 283 I CA 1.370 62.772 61.300 0.170 0.000 1.374 283 I CB -0.322 37.800 38.000 0.204 0.000 1.057 283 I HN 0.318 nan 8.210 nan 0.000 0.413 284 E N 1.059 121.330 120.200 0.118 0.000 2.110 284 E HA -0.290 4.061 4.350 0.001 0.000 0.193 284 E C 2.129 178.773 176.600 0.074 0.000 0.988 284 E CA 1.260 57.705 56.400 0.075 0.000 0.804 284 E CB -0.005 29.727 29.700 0.053 0.000 0.745 284 E HN 0.447 nan 8.360 nan 0.000 0.458 285 E N -0.101 120.155 120.200 0.092 0.000 2.085 285 E HA -0.181 4.169 4.350 0.001 0.000 0.194 285 E C 2.052 178.717 176.600 0.108 0.000 0.994 285 E CA 1.394 57.850 56.400 0.094 0.000 0.801 285 E CB 0.150 29.925 29.700 0.125 0.000 0.743 285 E HN 0.180 nan 8.360 nan 0.000 0.453 286 V N 1.233 121.217 119.914 0.117 0.000 2.427 286 V HA -0.242 3.878 4.120 0.001 0.000 0.248 286 V C 2.346 178.525 176.094 0.141 0.000 1.051 286 V CA 1.403 63.796 62.300 0.155 0.000 1.048 286 V CB -0.348 31.571 31.823 0.160 0.000 0.666 286 V HN 0.331 nan 8.190 nan 0.000 0.456 287 I N 0.483 121.100 120.570 0.079 0.000 2.127 287 I HA -0.302 3.869 4.170 0.001 0.000 0.241 287 I C 2.284 178.409 176.117 0.014 0.000 1.075 287 I CA 2.134 63.429 61.300 -0.007 0.000 1.334 287 I CB -0.653 37.337 38.000 -0.017 0.000 1.040 287 I HN 0.432 nan 8.210 nan 0.000 0.405 288 N N -0.408 118.316 118.700 0.040 0.000 2.061 288 N HA -0.297 4.444 4.740 0.001 0.000 0.193 288 N C 2.034 177.572 175.510 0.046 0.000 1.030 288 N CA 1.368 54.438 53.050 0.034 0.000 0.856 288 N CB -0.332 38.180 38.487 0.041 0.000 1.023 288 N HN 0.446 nan 8.380 nan 0.000 0.424 289 H N 0.819 119.889 119.070 -0.000 0.000 2.321 289 H HA -0.053 4.504 4.556 0.001 0.000 0.300 289 H C 1.858 177.187 175.328 0.002 0.000 1.087 289 H CA 1.244 57.289 56.048 -0.005 0.000 1.319 289 H CB 0.074 29.829 29.762 -0.011 0.000 1.379 289 H HN 0.102 nan 8.280 nan 0.000 0.501 290 L N 0.708 121.991 121.223 0.099 0.000 2.179 290 L HA 0.042 4.382 4.340 0.001 0.000 0.208 290 L C 2.974 179.807 176.870 -0.061 0.000 1.096 290 L CA 1.334 56.190 54.840 0.026 0.000 0.779 290 L CB -0.953 41.129 42.059 0.039 0.000 0.922 290 L HN 0.290 nan 8.230 nan 0.000 0.443 291 A N -0.447 122.337 122.820 -0.059 0.000 1.930 291 A HA -0.095 4.226 4.320 0.001 0.000 0.217 291 A C 2.463 180.013 177.584 -0.057 0.000 1.175 291 A CA 1.447 53.452 52.037 -0.054 0.000 0.627 291 A CB -0.799 18.179 19.000 -0.037 0.000 0.815 291 A HN 0.339 nan 8.150 nan 0.000 0.443 292 A N -0.338 122.436 122.820 -0.078 0.000 2.076 292 A HA -0.132 4.189 4.320 0.001 0.000 0.220 292 A C 1.885 179.414 177.584 -0.093 0.000 1.160 292 A CA 1.645 53.631 52.037 -0.085 0.000 0.653 292 A CB -0.348 18.585 19.000 -0.113 0.000 0.801 292 A HN 0.529 nan 8.150 nan 0.000 0.455 293 K N -1.445 118.890 120.400 -0.108 0.000 2.417 293 K HA 0.263 4.584 4.320 0.001 0.000 0.196 293 K C 0.900 177.471 176.600 -0.048 0.000 1.023 293 K CA 0.419 56.655 56.287 -0.085 0.000 1.122 293 K CB 0.042 32.485 32.500 -0.095 0.000 0.850 293 K HN 0.608 nan 8.250 nan 0.000 0.521 294 G N 1.799 110.574 108.800 -0.042 0.000 2.141 294 G HA2 -0.246 3.714 3.960 0.001 0.000 0.242 294 G HA3 -0.246 3.714 3.960 0.001 0.000 0.242 294 G C -0.414 174.472 174.900 -0.024 0.000 0.982 294 G CA -0.272 44.812 45.100 -0.026 0.000 0.662 294 G HN 0.358 nan 8.290 nan 0.000 0.527 295 E N 0.915 121.093 120.200 -0.037 0.000 2.259 295 E HA 0.252 4.602 4.350 0.001 0.000 0.281 295 E C 0.041 176.613 176.600 -0.047 0.000 1.037 295 E CA -0.473 55.899 56.400 -0.046 0.000 0.854 295 E CB 0.606 30.261 29.700 -0.075 0.000 1.051 295 E HN 0.050 nan 8.360 nan 0.000 0.409 296 K N 4.541 124.928 120.400 -0.021 0.000 2.127 296 K HA 0.246 4.567 4.320 0.001 0.000 0.261 296 K C 0.166 176.770 176.600 0.007 0.000 1.129 296 K CA 0.056 56.348 56.287 0.007 0.000 0.993 296 K CB -0.837 31.680 32.500 0.029 0.000 1.410 296 K HN 0.489 nan 8.250 nan 0.000 0.380 297 I N -2.504 118.046 120.570 -0.032 0.000 2.865 297 I HA 0.821 4.992 4.170 0.001 0.000 0.302 297 I C -0.162 175.986 176.117 0.051 0.000 1.140 297 I CA -1.129 60.138 61.300 -0.054 0.000 1.021 297 I CB 2.679 40.378 38.000 -0.502 0.000 1.233 297 I HN 0.279 nan 8.210 nan 0.000 0.427 298 G N 3.300 112.222 108.800 0.204 0.000 2.708 298 G HA2 0.715 4.676 3.960 0.001 0.000 0.289 298 G HA3 0.715 4.676 3.960 0.001 0.000 0.289 298 G C -2.189 172.800 174.900 0.149 0.000 1.416 298 G CA -0.787 44.396 45.100 0.138 0.000 0.829 298 G HN 0.752 nan 8.290 nan 0.000 0.480 299 L N -0.314 120.803 121.223 -0.176 0.000 2.455 299 L HA 0.749 5.090 4.340 0.001 0.000 0.264 299 L C -1.373 175.492 176.870 -0.008 0.000 0.968 299 L CA -0.684 54.165 54.840 0.015 0.000 0.827 299 L CB 1.907 43.995 42.059 0.048 0.000 1.317 299 L HN 0.472 nan 8.230 nan 0.000 0.407 300 I N 4.585 125.283 120.570 0.214 0.000 2.330 300 I HA 0.378 4.548 4.170 0.001 0.000 0.289 300 I C -0.323 175.979 176.117 0.309 0.000 1.001 300 I CA -0.630 60.846 61.300 0.293 0.000 1.193 300 I CB 1.254 39.450 38.000 0.326 0.000 1.345 300 I HN 0.550 nan 8.210 nan 0.000 0.461 301 K N 6.103 126.666 120.400 0.271 0.000 2.227 301 K HA 0.409 4.730 4.320 0.001 0.000 0.280 301 K C -0.505 176.263 176.600 0.281 0.000 1.041 301 K CA -0.636 55.800 56.287 0.249 0.000 0.905 301 K CB 1.873 34.483 32.500 0.184 0.000 1.068 301 K HN 0.473 nan 8.250 nan 0.000 0.470 302 V N 1.269 121.341 119.914 0.263 0.000 2.383 302 V HA 0.353 4.473 4.120 0.001 0.000 0.275 302 V C 0.410 176.494 176.094 -0.016 0.000 1.036 302 V CA -0.514 61.855 62.300 0.114 0.000 0.889 302 V CB 1.389 33.402 31.823 0.316 0.000 0.985 302 V HN 0.691 nan 8.190 nan 0.000 0.459 303 R N 3.641 124.032 120.500 -0.182 0.000 2.064 303 R HA 0.451 4.792 4.340 0.001 0.000 0.210 303 R C 0.441 176.665 176.300 -0.125 0.000 1.221 303 R CA 0.270 56.298 56.100 -0.120 0.000 1.055 303 R CB -0.369 29.879 30.300 -0.086 0.000 0.946 303 R HN 0.702 nan 8.270 nan 0.000 0.459 304 L N 1.593 122.673 121.223 -0.238 0.000 2.282 304 L HA 0.188 4.529 4.340 0.001 0.000 0.287 304 L C 0.181 176.987 176.870 -0.106 0.000 1.075 304 L CA -0.111 54.654 54.840 -0.125 0.000 0.839 304 L CB 0.661 42.648 42.059 -0.120 0.000 1.219 304 L HN 0.223 nan 8.230 nan 0.000 0.434 305 Y N 4.930 125.245 120.300 0.024 0.000 2.365 305 Y HA 0.286 4.837 4.550 0.001 0.000 0.293 305 Y C 0.390 176.443 175.900 0.255 0.000 1.119 305 Y CA 0.600 58.825 58.100 0.207 0.000 1.203 305 Y CB 0.327 38.961 38.460 0.290 0.000 1.026 305 Y HN 0.423 nan 8.280 nan 0.000 0.549 306 R N 0.469 120.966 120.500 -0.004 0.000 2.533 306 R HA 0.329 4.670 4.340 0.001 0.000 0.288 306 R C -3.051 173.216 176.300 -0.055 0.000 1.039 306 R CA -2.308 53.747 56.100 -0.075 0.000 0.909 306 R CB 1.503 31.761 30.300 -0.071 0.000 1.195 306 R HN -0.017 nan 8.270 nan 0.000 0.438 307 P HA 0.107 nan 4.420 nan 0.000 0.271 307 P C -0.611 176.729 177.300 0.067 0.000 1.218 307 P CA -0.195 62.933 63.100 0.045 0.000 0.780 307 P CB 0.374 32.130 31.700 0.093 0.000 0.901 308 F N 3.619 123.536 119.950 -0.055 0.000 2.375 308 F HA 0.242 4.770 4.527 0.001 0.000 0.362 308 F C -0.384 175.488 175.800 0.119 0.000 1.129 308 F CA -0.371 57.648 58.000 0.031 0.000 1.154 308 F CB 0.312 39.266 39.000 -0.077 0.000 1.205 308 F HN -0.056 nan 8.300 nan 0.000 0.513 309 V N 6.789 126.708 119.914 0.008 0.000 2.339 309 V HA 0.056 4.176 4.120 0.001 0.000 0.261 309 V C 0.947 177.025 176.094 -0.027 0.000 1.058 309 V CA 0.036 62.381 62.300 0.075 0.000 0.897 309 V CB 0.497 32.394 31.823 0.123 0.000 1.052 309 V HN 0.935 nan 8.190 nan 0.000 0.480 310 S N 2.929 118.659 115.700 0.051 0.000 2.383 310 S HA -0.213 4.258 4.470 0.001 0.000 0.229 310 S C 1.903 176.551 174.600 0.080 0.000 1.030 310 S CA 1.793 60.012 58.200 0.032 0.000 1.002 310 S CB -0.085 63.229 63.200 0.191 0.000 0.829 310 S HN 0.917 nan 8.310 nan 0.000 0.467 311 E N 1.304 121.579 120.200 0.126 0.000 2.058 311 E HA -0.203 4.147 4.350 0.001 0.000 0.194 311 E C 2.146 178.794 176.600 0.079 0.000 0.997 311 E CA 1.235 57.717 56.400 0.137 0.000 0.801 311 E CB -0.272 29.487 29.700 0.098 0.000 0.746 311 E HN 0.492 nan 8.360 nan 0.000 0.450 312 A N 0.477 123.334 122.820 0.061 0.000 1.930 312 A HA -0.148 4.173 4.320 0.001 0.000 0.217 312 A C 1.971 179.483 177.584 -0.119 0.000 1.175 312 A CA 1.185 53.284 52.037 0.104 0.000 0.627 312 A CB -0.823 18.373 19.000 0.328 0.000 0.815 312 A HN 0.519 nan 8.150 nan 0.000 0.443 313 F N -0.189 119.294 119.950 -0.779 0.000 2.102 313 F HA -0.146 4.382 4.527 0.001 0.000 0.298 313 F C 1.852 177.267 175.800 -0.641 0.000 1.105 313 F CA 1.680 58.899 58.000 -1.301 0.000 1.239 313 F CB -0.496 37.573 39.000 -1.552 0.000 0.991 313 F HN 0.220 nan 8.300 nan 0.000 0.474 314 F N 0.271 119.992 119.950 -0.382 0.000 2.293 314 F HA -0.048 4.480 4.527 0.001 0.000 0.300 314 F C 2.488 178.115 175.800 -0.288 0.000 1.086 314 F CA 0.663 58.441 58.000 -0.371 0.000 1.375 314 F CB -0.791 38.095 39.000 -0.190 0.000 1.045 314 F HN 0.085 nan 8.300 nan 0.000 0.516 315 A N -0.253 122.540 122.820 -0.046 0.000 2.121 315 A HA 0.093 4.414 4.320 0.001 0.000 0.218 315 A C 2.052 179.591 177.584 -0.074 0.000 1.154 315 A CA 1.442 53.461 52.037 -0.030 0.000 0.679 315 A CB -0.737 18.272 19.000 0.015 0.000 0.795 315 A HN 0.281 nan 8.150 nan 0.000 0.458 316 A N -1.386 121.337 122.820 -0.162 0.000 2.390 316 A HA 0.508 4.829 4.320 0.001 0.000 0.232 316 A C 0.558 177.984 177.584 -0.263 0.000 1.233 316 A CA -0.243 51.722 52.037 -0.121 0.000 0.907 316 A CB 0.010 19.017 19.000 0.010 0.000 0.967 316 A HN 0.401 nan 8.150 nan 0.000 0.512 317 L N 1.960 122.975 121.223 -0.346 0.000 2.265 317 L HA 0.388 4.728 4.340 0.001 0.000 0.288 317 L C -2.678 174.053 176.870 -0.233 0.000 1.058 317 L CA -2.098 52.560 54.840 -0.303 0.000 0.809 317 L CB 1.645 43.539 42.059 -0.276 0.000 1.179 317 L HN 0.034 nan 8.230 nan 0.000 0.429 318 P HA 0.112 nan 4.420 nan 0.000 0.271 318 P C 0.116 177.377 177.300 -0.064 0.000 1.220 318 P CA -0.174 62.784 63.100 -0.236 0.000 0.768 318 P CB 1.302 32.840 31.700 -0.270 0.000 0.848 319 A N 2.844 125.636 122.820 -0.046 0.000 2.070 319 A HA -0.150 4.170 4.320 0.001 0.000 0.220 319 A C 1.898 179.496 177.584 0.025 0.000 1.159 319 A CA 1.918 53.956 52.037 0.002 0.000 0.656 319 A CB -1.186 17.806 19.000 -0.012 0.000 0.800 319 A HN 0.579 nan 8.150 nan 0.000 0.453 320 S N -0.435 115.273 115.700 0.014 0.000 2.562 320 S HA 0.444 4.914 4.470 0.001 0.000 0.221 320 S C 0.927 175.561 174.600 0.056 0.000 0.975 320 S CA 0.273 58.492 58.200 0.031 0.000 0.918 320 S CB -0.587 62.626 63.200 0.023 0.000 0.772 320 S HN 0.873 nan 8.310 nan 0.000 0.531 321 A N 1.726 124.590 122.820 0.074 0.000 2.515 321 A HA 0.330 4.650 4.320 0.001 0.000 0.263 321 A C 1.044 178.690 177.584 0.103 0.000 1.096 321 A CA -0.292 51.811 52.037 0.109 0.000 0.769 321 A CB 0.133 19.222 19.000 0.148 0.000 1.040 321 A HN 0.515 nan 8.150 nan 0.000 0.505 322 K N 1.506 121.958 120.400 0.087 0.000 2.244 322 K HA 0.213 4.534 4.320 0.001 0.000 0.200 322 K C -0.349 176.283 176.600 0.054 0.000 1.052 322 K CA 0.693 57.018 56.287 0.064 0.000 0.980 322 K CB 0.468 33.002 32.500 0.055 0.000 0.838 322 K HN 0.524 nan 8.250 nan 0.000 0.481 323 V N 1.904 121.863 119.914 0.075 0.000 2.638 323 V HA 0.362 4.483 4.120 0.001 0.000 0.306 323 V C -1.259 174.896 176.094 0.102 0.000 1.052 323 V CA -1.070 61.271 62.300 0.067 0.000 0.885 323 V CB 1.927 33.792 31.823 0.071 0.000 0.999 323 V HN 0.038 nan 8.190 nan 0.000 0.424 324 I N 4.141 124.761 120.570 0.083 0.000 2.498 324 I HA 0.760 4.931 4.170 0.001 0.000 0.290 324 I C 0.037 176.230 176.117 0.127 0.000 1.032 324 I CA 0.007 61.390 61.300 0.138 0.000 1.073 324 I CB 2.329 40.438 38.000 0.183 0.000 1.251 324 I HN 0.818 nan 8.210 nan 0.000 0.426 325 T N 4.862 119.499 114.554 0.137 0.000 2.779 325 T HA 0.707 5.058 4.350 0.001 0.000 0.280 325 T C -0.638 174.145 174.700 0.139 0.000 0.987 325 T CA -0.692 61.485 62.100 0.129 0.000 0.966 325 T CB 1.138 70.091 68.868 0.142 0.000 0.933 325 T HN 0.334 nan 8.240 nan 0.000 0.442 326 V N 4.764 124.761 119.914 0.138 0.000 2.350 326 V HA 0.351 4.472 4.120 0.001 0.000 0.276 326 V C -0.329 175.808 176.094 0.072 0.000 1.028 326 V CA -0.877 61.523 62.300 0.168 0.000 0.860 326 V CB 0.737 32.717 31.823 0.262 0.000 0.990 326 V HN 0.748 nan 8.190 nan 0.000 0.453 327 L N 5.025 126.298 121.223 0.084 0.000 2.276 327 L HA 0.494 4.835 4.340 0.001 0.000 0.286 327 L C 0.177 177.187 176.870 0.234 0.000 1.061 327 L CA 0.376 55.255 54.840 0.065 0.000 0.807 327 L CB 0.908 42.873 42.059 -0.157 0.000 1.177 327 L HN 0.589 nan 8.230 nan 0.000 0.429 328 D N 3.087 123.605 120.400 0.195 0.000 2.375 328 D HA 0.253 4.894 4.640 0.001 0.000 0.247 328 D C -0.014 176.280 176.300 -0.010 0.000 1.061 328 D CA -0.456 53.645 54.000 0.168 0.000 0.834 328 D CB 1.947 42.769 40.800 0.035 0.000 1.247 328 D HN 0.333 nan 8.370 nan 0.000 0.489 329 R N 1.830 122.242 120.500 -0.148 0.000 4.141 329 R HA 0.205 4.546 4.340 0.001 0.000 0.281 329 R C -0.332 175.819 176.300 -0.248 0.000 1.608 329 R CA 0.030 55.746 56.100 -0.640 0.000 1.426 329 R CB 0.128 29.757 30.300 -1.118 0.000 1.432 329 R HN 0.352 nan 8.270 nan 0.000 0.708 330 T N -0.972 113.530 114.554 -0.086 0.000 2.665 330 T HA 0.294 4.645 4.350 0.001 0.000 0.303 330 T C -2.041 172.631 174.700 -0.046 0.000 1.334 330 T CA -0.721 61.381 62.100 0.003 0.000 1.011 330 T CB 1.431 70.420 68.868 0.201 0.000 1.573 330 T HN 0.162 nan 8.240 nan 0.000 0.492 331 K N 1.920 122.303 120.400 -0.029 0.000 2.619 331 K HA 0.312 4.633 4.320 0.001 0.000 0.251 331 K C -1.569 175.010 176.600 -0.034 0.000 0.987 331 K CA -0.347 55.914 56.287 -0.043 0.000 0.844 331 K CB 1.387 33.865 32.500 -0.037 0.000 1.237 331 K HN 0.690 nan 8.250 nan 0.000 0.447 332 E N 4.926 125.096 120.200 -0.051 0.000 2.256 332 E HA 0.247 4.597 4.350 0.001 0.000 0.243 332 E C -2.511 174.066 176.600 -0.038 0.000 0.925 332 E CA -1.987 54.388 56.400 -0.042 0.000 0.748 332 E CB 1.322 30.986 29.700 -0.061 0.000 1.206 332 E HN 0.311 nan 8.360 nan 0.000 0.428 333 P HA -0.098 nan 4.420 nan 0.000 0.261 333 P C 0.966 178.248 177.300 -0.030 0.000 1.173 333 P CA 1.063 64.147 63.100 -0.027 0.000 0.760 333 P CB 0.494 32.186 31.700 -0.014 0.000 0.783 334 G N 1.803 110.580 108.800 -0.039 0.000 2.234 334 G HA2 -0.249 3.712 3.960 0.001 0.000 0.260 334 G HA3 -0.249 3.712 3.960 0.001 0.000 0.260 334 G C 0.532 175.407 174.900 -0.042 0.000 0.987 334 G CA 0.097 45.173 45.100 -0.039 0.000 0.625 334 G HN 0.883 nan 8.290 nan 0.000 0.532 335 A N 1.041 123.836 122.820 -0.042 0.000 2.425 335 A HA 0.627 4.947 4.320 0.001 0.000 0.242 335 A C 0.165 177.727 177.584 -0.038 0.000 1.077 335 A CA 0.012 52.029 52.037 -0.034 0.000 0.781 335 A CB 0.409 19.389 19.000 -0.034 0.000 1.020 335 A HN 0.259 nan 8.150 nan 0.000 0.494 336 P HA 0.155 nan 4.420 nan 0.000 0.237 336 P C 0.501 177.857 177.300 0.092 0.000 1.178 336 P CA 1.312 64.415 63.100 0.005 0.000 0.766 336 P CB 0.216 31.940 31.700 0.041 0.000 0.876 337 G N -0.747 108.117 108.800 0.107 0.000 2.387 337 G HA2 0.190 4.151 3.960 0.001 0.000 0.294 337 G HA3 0.190 4.151 3.960 0.001 0.000 0.294 337 G C -1.983 172.971 174.900 0.089 0.000 1.509 337 G CA -0.627 44.587 45.100 0.191 0.000 0.806 337 G HN -0.200 nan 8.290 nan 0.000 0.546 338 D N 0.595 121.016 120.400 0.035 0.000 2.354 338 D HA 0.335 4.976 4.640 0.001 0.000 0.247 338 D C -1.258 174.977 176.300 -0.109 0.000 1.138 338 D CA -1.267 52.680 54.000 -0.088 0.000 0.958 338 D CB 1.682 42.401 40.800 -0.135 0.000 1.144 338 D HN -0.018 nan 8.370 nan 0.000 0.458 339 P HA -0.217 nan 4.420 nan 0.000 0.218 339 P C 1.554 178.803 177.300 -0.085 0.000 1.165 339 P CA 0.967 63.873 63.100 -0.322 0.000 0.922 339 P CB 0.164 31.337 31.700 -0.877 0.000 0.794 340 L N -2.134 119.076 121.223 -0.023 0.000 2.056 340 L HA -0.164 4.177 4.340 0.001 0.000 0.207 340 L C 2.436 179.354 176.870 0.081 0.000 1.078 340 L CA 1.688 56.632 54.840 0.174 0.000 0.749 340 L CB -1.652 40.578 42.059 0.284 0.000 0.901 340 L HN -0.056 nan 8.230 nan 0.000 0.433 341 Y N -0.763 119.512 120.300 -0.040 0.000 2.128 341 Y HA -0.267 4.283 4.550 0.001 0.000 0.284 341 Y C 2.196 178.047 175.900 -0.082 0.000 1.154 341 Y CA 1.820 59.887 58.100 -0.055 0.000 1.149 341 Y CB -0.399 38.017 38.460 -0.073 0.000 0.976 341 Y HN 0.168 nan 8.280 nan 0.000 0.505 342 L N 0.687 121.807 121.223 -0.172 0.000 2.083 342 L HA -0.206 4.135 4.340 0.001 0.000 0.209 342 L C 2.067 178.743 176.870 -0.322 0.000 1.083 342 L CA 1.808 56.484 54.840 -0.274 0.000 0.752 342 L CB -1.190 40.797 42.059 -0.120 0.000 0.899 342 L HN 0.267 nan 8.230 nan 0.000 0.433 343 D N -1.007 119.175 120.400 -0.364 0.000 2.097 343 D HA -0.119 4.522 4.640 0.001 0.000 0.197 343 D C 2.394 178.301 176.300 -0.656 0.000 0.984 343 D CA 1.086 54.689 54.000 -0.661 0.000 0.826 343 D CB -0.137 39.984 40.800 -1.131 0.000 0.973 343 D HN 0.126 nan 8.370 nan 0.000 0.460 344 V N 0.751 120.375 119.914 -0.483 0.000 2.343 344 V HA -0.259 3.861 4.120 0.001 0.000 0.247 344 V C 2.717 178.728 176.094 -0.139 0.000 1.051 344 V CA 1.200 63.280 62.300 -0.366 0.000 1.036 344 V CB -0.489 31.226 31.823 -0.180 0.000 0.654 344 V HN 0.281 nan 8.190 nan 0.000 0.451 345 C N 0.570 119.718 119.300 -0.252 0.000 2.429 345 C HA -0.152 4.309 4.460 0.001 0.000 0.277 345 C C 3.303 178.266 174.990 -0.045 0.000 1.262 345 C CA 1.553 60.463 59.018 -0.179 0.000 1.733 345 C CB -1.088 26.390 27.740 -0.435 0.000 2.010 345 C HN 0.784 nan 8.230 nan 0.000 0.483 346 S N 1.668 117.291 115.700 -0.128 0.000 2.382 346 S HA -0.108 4.363 4.470 0.001 0.000 0.228 346 S C 1.977 176.583 174.600 0.010 0.000 1.027 346 S CA 1.517 59.677 58.200 -0.067 0.000 0.991 346 S CB -0.535 62.592 63.200 -0.120 0.000 0.823 346 S HN 0.614 nan 8.310 nan 0.000 0.469 347 A N 1.133 123.937 122.820 -0.026 0.000 1.883 347 A HA 0.074 4.394 4.320 0.001 0.000 0.217 347 A C 1.952 179.678 177.584 0.237 0.000 1.186 347 A CA 1.531 53.595 52.037 0.044 0.000 0.624 347 A CB -1.186 17.640 19.000 -0.289 0.000 0.822 347 A HN 0.569 nan 8.150 nan 0.000 0.444 348 F N 0.090 120.198 119.950 0.262 0.000 2.146 348 F HA -0.167 4.361 4.527 0.001 0.000 0.298 348 F C 2.574 178.458 175.800 0.140 0.000 1.096 348 F CA 1.743 59.923 58.000 0.299 0.000 1.275 348 F CB -0.434 38.688 39.000 0.203 0.000 1.008 348 F HN 0.178 nan 8.300 nan 0.000 0.480 349 V N -1.755 118.308 119.914 0.248 0.000 2.343 349 V HA -0.229 3.892 4.120 0.001 0.000 0.247 349 V C 1.747 177.899 176.094 0.097 0.000 1.051 349 V CA 1.974 64.356 62.300 0.135 0.000 1.036 349 V CB -0.957 30.911 31.823 0.075 0.000 0.654 349 V HN 0.372 nan 8.190 nan 0.000 0.451 350 E N 0.410 120.666 120.200 0.094 0.000 2.150 350 E HA -0.174 4.177 4.350 0.001 0.000 0.193 350 E C 2.405 179.030 176.600 0.040 0.000 0.985 350 E CA 1.044 57.483 56.400 0.065 0.000 0.814 350 E CB -0.288 29.455 29.700 0.073 0.000 0.752 350 E HN 0.585 nan 8.360 nan 0.000 0.466 351 R N 0.781 121.301 120.500 0.032 0.000 2.096 351 R HA -0.129 4.212 4.340 0.001 0.000 0.235 351 R C 1.194 177.461 176.300 -0.055 0.000 1.127 351 R CA 1.320 57.361 56.100 -0.099 0.000 0.968 351 R CB -0.369 29.736 30.300 -0.326 0.000 0.861 351 R HN 0.292 nan 8.270 nan 0.000 0.440 352 G N 0.788 109.594 108.800 0.010 0.000 2.249 352 G HA2 -0.294 3.667 3.960 0.001 0.000 0.273 352 G HA3 -0.294 3.667 3.960 0.001 0.000 0.273 352 G C -0.207 174.697 174.900 0.008 0.000 1.036 352 G CA 1.072 46.183 45.100 0.018 0.000 0.824 352 G HN 0.564 nan 8.290 nan 0.000 0.504 353 E N -0.489 119.717 120.200 0.011 0.000 3.995 353 E HA 0.704 5.055 4.350 0.001 0.000 0.227 353 E C 1.019 177.653 176.600 0.057 0.000 0.888 353 E CA -0.525 55.880 56.400 0.008 0.000 1.376 353 E CB 0.140 29.813 29.700 -0.046 0.000 1.869 353 E HN 0.723 nan 8.360 nan 0.000 0.399 354 A N 1.476 124.335 122.820 0.066 0.000 2.520 354 A HA 0.164 4.485 4.320 0.001 0.000 0.245 354 A C -0.171 177.513 177.584 0.168 0.000 1.072 354 A CA 0.439 52.534 52.037 0.097 0.000 0.761 354 A CB -0.105 18.950 19.000 0.092 0.000 1.004 354 A HN 0.290 nan 8.150 nan 0.000 0.499 355 M N 5.351 125.011 119.600 0.100 0.000 2.268 355 M HA 0.252 4.733 4.480 0.001 0.000 0.340 355 M C -2.099 174.182 176.300 -0.033 0.000 1.099 355 M CA -2.169 53.161 55.300 0.051 0.000 1.053 355 M CB 0.234 32.855 32.600 0.035 0.000 1.284 355 M HN 0.559 nan 8.290 nan 0.000 0.410 356 P HA 0.190 nan 4.420 nan 0.000 0.272 356 P C -0.427 176.789 177.300 -0.140 0.000 1.240 356 P CA -0.448 62.602 63.100 -0.084 0.000 0.791 356 P CB 0.961 32.629 31.700 -0.052 0.000 0.978 357 K N 1.270 121.632 120.400 -0.063 0.000 2.416 357 K HA 0.217 4.538 4.320 0.001 0.000 0.283 357 K C -0.420 176.143 176.600 -0.061 0.000 1.037 357 K CA 0.332 56.592 56.287 -0.045 0.000 0.995 357 K CB -0.783 31.716 32.500 -0.001 0.000 0.938 357 K HN 0.333 nan 8.250 nan 0.000 0.475 358 I N 5.943 126.477 120.570 -0.059 0.000 2.378 358 I HA 0.253 4.423 4.170 0.001 0.000 0.291 358 I C -0.871 175.294 176.117 0.080 0.000 0.992 358 I CA -1.211 60.082 61.300 -0.012 0.000 1.154 358 I CB 1.126 39.086 38.000 -0.066 0.000 1.315 358 I HN 0.339 nan 8.210 nan 0.000 0.448 359 L N 5.509 126.779 121.223 0.079 0.000 2.342 359 L HA 0.744 5.085 4.340 0.001 0.000 0.271 359 L C 0.020 176.807 176.870 -0.139 0.000 1.008 359 L CA -0.637 54.199 54.840 -0.007 0.000 0.818 359 L CB 1.779 43.894 42.059 0.092 0.000 1.296 359 L HN 0.648 nan 8.230 nan 0.000 0.427 360 A N 1.026 123.515 122.820 -0.553 0.000 2.318 360 A HA 0.897 5.218 4.320 0.001 0.000 0.324 360 A C -0.133 176.858 177.584 -0.988 0.000 1.170 360 A CA -0.111 51.439 52.037 -0.812 0.000 0.810 360 A CB 1.177 19.262 19.000 -1.524 0.000 1.198 360 A HN 0.748 nan 8.150 nan 0.000 0.484 361 G N 0.890 109.103 108.800 -0.978 0.000 2.620 361 G HA2 0.594 4.554 3.960 0.001 0.000 0.301 361 G HA3 0.594 4.554 3.960 0.001 0.000 0.301 361 G C -0.903 173.671 174.900 -0.543 0.000 1.347 361 G CA -0.691 43.446 45.100 -1.605 0.000 0.971 361 G HN 0.849 nan 8.290 nan 0.000 0.488 362 R N 0.516 120.819 120.500 -0.327 0.000 2.514 362 R HA 0.706 5.046 4.340 0.001 0.000 0.301 362 R C -1.156 175.212 176.300 0.113 0.000 0.962 362 R CA -0.743 55.317 56.100 -0.066 0.000 0.882 362 R CB 1.327 31.568 30.300 -0.098 0.000 1.143 362 R HN 0.727 nan 8.270 nan 0.000 0.452 363 Y N 0.253 120.477 120.300 -0.125 0.000 2.728 363 Y HA 0.530 5.080 4.550 0.001 0.000 0.330 363 Y C 0.582 176.401 175.900 -0.136 0.000 1.234 363 Y CA -1.018 57.016 58.100 -0.110 0.000 1.070 363 Y CB 0.439 38.719 38.460 -0.301 0.000 1.300 363 Y HN 0.710 nan 8.280 nan 0.000 0.467 364 G N 0.741 109.431 108.800 -0.183 0.000 2.280 364 G HA2 -0.299 3.662 3.960 0.001 0.000 0.282 364 G HA3 -0.299 3.662 3.960 0.001 0.000 0.282 364 G C -0.423 174.342 174.900 -0.225 0.000 1.000 364 G CA 0.476 45.443 45.100 -0.222 0.000 0.751 364 G HN 0.616 nan 8.290 nan 0.000 0.515 365 L N 0.408 121.521 121.223 -0.183 0.000 2.540 365 L HA 0.457 4.798 4.340 0.001 0.000 0.276 365 L C 1.717 178.566 176.870 -0.034 0.000 1.212 365 L CA 1.506 56.279 54.840 -0.111 0.000 0.893 365 L CB 0.227 42.242 42.059 -0.073 0.000 1.138 365 L HN 1.224 nan 8.230 nan 0.000 0.491 366 G N 3.016 111.827 108.800 0.019 0.000 2.366 366 G HA2 -0.294 3.666 3.960 0.001 0.000 0.299 366 G HA3 -0.294 3.666 3.960 0.001 0.000 0.299 366 G C 0.781 175.734 174.900 0.088 0.000 1.020 366 G CA 0.473 45.637 45.100 0.106 0.000 1.026 366 G HN 0.867 nan 8.290 nan 0.000 0.512 367 S N -2.325 113.438 115.700 0.104 0.000 3.476 367 S HA -0.246 4.224 4.470 0.001 0.000 0.309 367 S C 1.123 175.718 174.600 -0.008 0.000 1.222 367 S CA 1.888 60.141 58.200 0.088 0.000 0.922 367 S CB -0.602 62.702 63.200 0.174 0.000 1.023 367 S HN 1.494 nan 8.310 nan 0.000 0.591 368 K N 2.726 123.118 120.400 -0.013 0.000 2.484 368 K HA 0.076 4.396 4.320 0.001 0.000 0.280 368 K C 0.258 176.900 176.600 0.070 0.000 1.013 368 K CA 0.384 56.672 56.287 0.002 0.000 1.029 368 K CB 0.389 32.899 32.500 0.016 0.000 0.902 368 K HN 0.158 nan 8.250 nan 0.000 0.481 369 E N 2.955 123.190 120.200 0.058 0.000 2.481 369 E HA -0.093 4.257 4.350 0.001 0.000 0.263 369 E C -0.760 175.974 176.600 0.224 0.000 0.992 369 E CA 0.603 57.063 56.400 0.099 0.000 0.938 369 E CB 0.206 29.931 29.700 0.042 0.000 0.933 369 E HN 0.534 nan 8.360 nan 0.000 0.453 370 F N 2.925 122.918 119.950 0.073 0.000 2.691 370 F HA 0.122 4.649 4.527 0.001 0.000 0.371 370 F C 0.222 176.018 175.800 -0.006 0.000 1.159 370 F CA -0.479 57.568 58.000 0.078 0.000 1.174 370 F CB 0.408 39.519 39.000 0.184 0.000 1.419 370 F HN 0.299 nan 8.300 nan 0.000 0.514 371 S N 3.590 119.085 115.700 -0.343 0.000 2.681 371 S HA 0.505 4.976 4.470 0.001 0.000 0.270 371 S C -2.079 172.130 174.600 -0.653 0.000 1.209 371 S CA -1.156 56.733 58.200 -0.518 0.000 0.988 371 S CB 1.488 64.484 63.200 -0.341 0.000 1.006 371 S HN 0.329 nan 8.310 nan 0.000 0.558 372 P HA -0.018 nan 4.420 nan 0.000 0.215 372 P C 1.587 178.750 177.300 -0.228 0.000 1.153 372 P CA 1.941 64.836 63.100 -0.342 0.000 0.853 372 P CB -0.292 31.273 31.700 -0.226 0.000 0.788 373 A N -1.049 121.671 122.820 -0.168 0.000 1.940 373 A HA -0.215 4.106 4.320 0.001 0.000 0.219 373 A C 2.147 179.524 177.584 -0.346 0.000 1.176 373 A CA 1.872 53.769 52.037 -0.234 0.000 0.631 373 A CB -1.404 17.541 19.000 -0.091 0.000 0.814 373 A HN 0.136 nan 8.150 nan 0.000 0.446 374 M N -0.981 118.402 119.600 -0.363 0.000 2.200 374 M HA -0.093 4.388 4.480 0.001 0.000 0.265 374 M C 2.058 178.110 176.300 -0.414 0.000 1.066 374 M CA 1.118 56.205 55.300 -0.354 0.000 1.127 374 M CB -0.351 32.024 32.600 -0.374 0.000 1.379 374 M HN 0.237 nan 8.290 nan 0.000 0.420 375 V N 0.632 120.215 119.914 -0.552 0.000 2.343 375 V HA -0.262 3.858 4.120 0.001 0.000 0.247 375 V C 2.386 178.361 176.094 -0.198 0.000 1.051 375 V CA 1.821 63.907 62.300 -0.356 0.000 1.036 375 V CB -0.727 30.952 31.823 -0.241 0.000 0.654 375 V HN 0.381 nan 8.190 nan 0.000 0.451 376 K N 0.777 120.970 120.400 -0.347 0.000 2.032 376 K HA -0.175 4.145 4.320 0.001 0.000 0.209 376 K C 2.453 178.892 176.600 -0.269 0.000 1.048 376 K CA 2.051 58.086 56.287 -0.420 0.000 0.927 376 K CB -0.922 30.912 32.500 -1.110 0.000 0.712 376 K HN 0.357 nan 8.250 nan 0.000 0.441 377 S N -0.672 114.851 115.700 -0.296 0.000 2.399 377 S HA -0.085 4.386 4.470 0.001 0.000 0.231 377 S C 1.808 176.252 174.600 -0.260 0.000 1.022 377 S CA 1.331 59.384 58.200 -0.245 0.000 0.983 377 S CB -0.278 62.784 63.200 -0.229 0.000 0.803 377 S HN 0.165 nan 8.310 nan 0.000 0.480 378 V N 0.337 120.094 119.914 -0.262 0.000 2.453 378 V HA -0.091 4.030 4.120 0.001 0.000 0.247 378 V C 1.935 177.870 176.094 -0.265 0.000 1.048 378 V CA 1.691 63.809 62.300 -0.304 0.000 1.049 378 V CB -0.852 30.841 31.823 -0.216 0.000 0.672 378 V HN 0.578 nan 8.190 nan 0.000 0.457 379 Y N 0.262 120.500 120.300 -0.104 0.000 2.220 379 Y HA -0.158 4.392 4.550 0.001 0.000 0.291 379 Y C 2.553 178.406 175.900 -0.078 0.000 1.129 379 Y CA 1.403 59.465 58.100 -0.063 0.000 1.161 379 Y CB -0.149 38.278 38.460 -0.056 0.000 0.997 379 Y HN 0.262 nan 8.280 nan 0.000 0.522 380 D N -0.241 120.176 120.400 0.028 0.000 2.178 380 D HA -0.176 4.464 4.640 0.001 0.000 0.201 380 D C 1.705 177.973 176.300 -0.052 0.000 0.980 380 D CA 1.078 55.064 54.000 -0.023 0.000 0.842 380 D CB -0.429 40.328 40.800 -0.072 0.000 0.948 380 D HN 0.314 nan 8.370 nan 0.000 0.472 381 N N 0.267 118.900 118.700 -0.112 0.000 2.188 381 N HA -0.089 4.651 4.740 0.001 0.000 0.184 381 N C 1.722 177.195 175.510 -0.060 0.000 1.018 381 N CA 0.874 53.841 53.050 -0.138 0.000 0.858 381 N CB -0.124 38.185 38.487 -0.297 0.000 0.989 381 N HN 0.081 nan 8.380 nan 0.000 0.426 382 M N -0.471 119.116 119.600 -0.023 0.000 2.374 382 M HA -0.054 4.427 4.480 0.001 0.000 0.264 382 M C 1.507 177.830 176.300 0.038 0.000 1.067 382 M CA 1.150 56.467 55.300 0.030 0.000 1.103 382 M CB -0.096 32.549 32.600 0.075 0.000 1.402 382 M HN 0.317 nan 8.290 nan 0.000 0.444 383 S N -1.418 114.301 115.700 0.031 0.000 2.517 383 S HA 0.236 4.706 4.470 0.001 0.000 0.214 383 S C 1.155 175.761 174.600 0.010 0.000 0.991 383 S CA 0.068 58.285 58.200 0.028 0.000 0.906 383 S CB 0.222 63.441 63.200 0.032 0.000 0.789 383 S HN 0.412 nan 8.310 nan 0.000 0.513 384 G N 1.178 109.975 108.800 -0.005 0.000 3.110 384 G HA2 0.572 4.533 3.960 0.001 0.000 0.207 384 G HA3 0.572 4.533 3.960 0.001 0.000 0.207 384 G C 1.301 176.194 174.900 -0.011 0.000 1.841 384 G CA 0.020 45.113 45.100 -0.011 0.000 0.751 384 G HN 0.450 nan 8.290 nan 0.000 0.771 385 A N -0.229 122.578 122.820 -0.022 0.000 2.024 385 A HA 0.072 4.392 4.320 0.001 0.000 0.220 385 A C 1.368 178.948 177.584 -0.006 0.000 1.164 385 A CA 2.015 54.042 52.037 -0.016 0.000 0.643 385 A CB -0.696 18.289 19.000 -0.026 0.000 0.806 385 A HN 0.637 nan 8.150 nan 0.000 0.451 386 K N -1.090 119.303 120.400 -0.013 0.000 3.148 386 K HA -0.189 4.131 4.320 0.001 0.000 0.267 386 K C -0.025 176.593 176.600 0.031 0.000 0.996 386 K CA 0.996 57.288 56.287 0.009 0.000 0.737 386 K CB -1.412 31.100 32.500 0.020 0.000 1.308 386 K HN 0.716 nan 8.250 nan 0.000 0.470 387 K N 1.379 121.791 120.400 0.022 0.000 2.382 387 K HA 0.058 4.378 4.320 0.001 0.000 0.275 387 K C 0.084 176.792 176.600 0.179 0.000 1.009 387 K CA -0.107 56.224 56.287 0.074 0.000 0.970 387 K CB 0.495 33.023 32.500 0.047 0.000 0.934 387 K HN 0.169 nan 8.250 nan 0.000 0.479 388 N N 1.287 120.071 118.700 0.139 0.000 2.432 388 N HA 0.196 4.937 4.740 0.001 0.000 0.292 388 N C -1.337 174.195 175.510 0.036 0.000 1.193 388 N CA -0.193 52.882 53.050 0.043 0.000 0.878 388 N CB 0.598 39.057 38.487 -0.047 0.000 1.252 388 N HN 0.712 nan 8.380 nan 0.000 0.520 389 H N -0.666 118.298 119.070 -0.177 0.000 2.626 389 H HA -0.199 4.357 4.556 0.001 0.000 0.317 389 H C -0.696 174.537 175.328 -0.158 0.000 1.140 389 H CA 1.189 57.078 56.048 -0.265 0.000 1.134 389 H CB -1.840 27.814 29.762 -0.180 0.000 1.486 389 H HN 0.378 nan 8.280 nan 0.000 0.417 390 F N -1.019 118.917 119.950 -0.023 0.000 2.380 390 F HA 0.718 5.245 4.527 0.001 0.000 0.319 390 F C 0.543 176.347 175.800 0.006 0.000 1.113 390 F CA -0.511 57.487 58.000 -0.004 0.000 1.056 390 F CB 0.990 39.980 39.000 -0.016 0.000 1.289 390 F HN 0.041 nan 8.300 nan 0.000 0.515 391 T N -0.773 114.004 114.554 0.371 0.000 2.907 391 T HA 0.788 5.139 4.350 0.001 0.000 0.292 391 T C -1.218 173.700 174.700 0.363 0.000 1.043 391 T CA -0.804 61.455 62.100 0.265 0.000 1.003 391 T CB 1.492 70.434 68.868 0.124 0.000 1.084 391 T HN 0.727 nan 8.240 nan 0.000 0.483 392 V N 0.955 121.062 119.914 0.322 0.000 2.733 392 V HA 0.774 4.894 4.120 0.001 0.000 0.306 392 V C 0.915 177.145 176.094 0.226 0.000 1.084 392 V CA -0.016 62.437 62.300 0.254 0.000 0.905 392 V CB 1.149 33.153 31.823 0.301 0.000 1.010 392 V HN 1.518 nan 8.190 nan 0.000 0.424 393 G N 4.032 112.917 108.800 0.141 0.000 2.229 393 G HA2 -0.109 3.852 3.960 0.001 0.000 0.189 393 G HA3 -0.109 3.852 3.960 0.001 0.000 0.189 393 G C -0.176 174.772 174.900 0.080 0.000 1.000 393 G CA 0.138 45.310 45.100 0.120 0.000 0.663 393 G HN 1.202 nan 8.290 nan 0.000 0.493 394 I N -2.694 117.923 120.570 0.077 0.000 3.174 394 I HA 0.848 5.019 4.170 0.001 0.000 0.313 394 I C -0.752 175.400 176.117 0.059 0.000 1.155 394 I CA -1.433 59.905 61.300 0.064 0.000 0.977 394 I CB 2.272 40.307 38.000 0.059 0.000 1.248 394 I HN -0.019 nan 8.210 nan 0.000 0.453 395 E N 2.341 122.576 120.200 0.058 0.000 2.073 395 E HA 0.149 4.500 4.350 0.001 0.000 0.269 395 E C -1.378 175.254 176.600 0.052 0.000 0.917 395 E CA -0.486 55.942 56.400 0.046 0.000 0.757 395 E CB 0.923 30.644 29.700 0.036 0.000 1.111 395 E HN 0.623 nan 8.360 nan 0.000 0.410 396 D N 4.445 124.874 120.400 0.048 0.000 2.494 396 D HA -0.009 4.632 4.640 0.001 0.000 0.217 396 D C 0.086 176.407 176.300 0.034 0.000 1.153 396 D CA -0.393 53.634 54.000 0.046 0.000 0.954 396 D CB 0.518 41.346 40.800 0.046 0.000 1.034 396 D HN 0.438 nan 8.370 nan 0.000 0.518 397 D N 2.013 122.431 120.400 0.031 0.000 2.319 397 D HA -0.083 4.558 4.640 0.001 0.000 0.230 397 D C 1.410 177.720 176.300 0.016 0.000 1.094 397 D CA 0.044 54.055 54.000 0.019 0.000 0.856 397 D CB 0.008 40.815 40.800 0.010 0.000 0.915 397 D HN 0.296 nan 8.370 nan 0.000 0.517 398 V N -2.146 117.781 119.914 0.022 0.000 2.806 398 V HA 0.169 4.289 4.120 0.001 0.000 0.239 398 V C 1.713 177.816 176.094 0.015 0.000 1.113 398 V CA 1.107 63.418 62.300 0.018 0.000 1.137 398 V CB -0.214 31.623 31.823 0.023 0.000 0.865 398 V HN 0.228 nan 8.190 nan 0.000 0.482 399 T N -2.299 112.265 114.554 0.017 0.000 3.132 399 T HA 0.432 4.783 4.350 0.001 0.000 0.274 399 T C 1.456 176.168 174.700 0.021 0.000 1.011 399 T CA 0.443 62.552 62.100 0.014 0.000 0.899 399 T CB 0.050 68.923 68.868 0.009 0.000 1.089 399 T HN 1.528 nan 8.240 nan 0.000 0.543 400 G N 2.592 111.407 108.800 0.024 0.000 2.422 400 G HA2 -0.315 3.645 3.960 0.001 0.000 0.301 400 G HA3 -0.315 3.645 3.960 0.001 0.000 0.301 400 G C 0.810 175.736 174.900 0.043 0.000 0.981 400 G CA 0.916 46.033 45.100 0.029 0.000 0.994 400 G HN 0.905 nan 8.290 nan 0.000 0.514 401 T N -2.786 111.800 114.554 0.054 0.000 3.060 401 T HA 0.422 4.773 4.350 0.001 0.000 0.249 401 T C 1.456 176.231 174.700 0.124 0.000 1.079 401 T CA 0.866 63.017 62.100 0.085 0.000 1.013 401 T CB 0.177 69.088 68.868 0.072 0.000 0.975 401 T HN 1.283 nan 8.240 nan 0.000 0.518 402 S N 1.515 117.269 115.700 0.091 0.000 2.601 402 S HA 0.630 5.101 4.470 0.001 0.000 0.271 402 S C -0.335 174.291 174.600 0.044 0.000 1.305 402 S CA -0.965 57.292 58.200 0.095 0.000 1.022 402 S CB 0.696 63.937 63.200 0.069 0.000 0.940 402 S HN 0.138 nan 8.310 nan 0.000 0.525 403 L N 2.968 124.193 121.223 0.004 0.000 2.357 403 L HA 0.534 4.875 4.340 0.001 0.000 0.273 403 L C -1.855 174.972 176.870 -0.073 0.000 1.080 403 L CA -1.933 52.845 54.840 -0.103 0.000 0.803 403 L CB 0.313 42.207 42.059 -0.274 0.000 1.174 403 L HN 0.610 nan 8.230 nan 0.000 0.443 404 P HA 0.202 nan 4.420 nan 0.000 0.275 404 P C -1.263 175.988 177.300 -0.082 0.000 1.227 404 P CA -0.231 62.832 63.100 -0.062 0.000 0.781 404 P CB 1.298 32.964 31.700 -0.056 0.000 0.906 405 V N 2.828 122.703 119.914 -0.065 0.000 2.483 405 V HA 0.178 4.299 4.120 0.001 0.000 0.297 405 V C -0.106 175.951 176.094 -0.061 0.000 1.027 405 V CA -0.440 61.811 62.300 -0.082 0.000 0.855 405 V CB 1.597 33.376 31.823 -0.073 0.000 0.995 405 V HN 0.533 nan 8.190 nan 0.000 0.424 406 D N 3.820 124.177 120.400 -0.071 0.000 2.411 406 D HA 0.178 4.818 4.640 0.001 0.000 0.225 406 D C 0.835 177.135 176.300 -0.001 0.000 1.156 406 D CA -0.177 53.804 54.000 -0.031 0.000 0.874 406 D CB 0.673 41.459 40.800 -0.024 0.000 1.034 406 D HN 0.455 nan 8.370 nan 0.000 0.502 407 N N 2.646 121.350 118.700 0.006 0.000 2.575 407 N HA -0.045 4.696 4.740 0.001 0.000 0.192 407 N C 0.949 176.488 175.510 0.049 0.000 1.200 407 N CA 0.107 53.171 53.050 0.024 0.000 0.897 407 N CB 0.491 38.983 38.487 0.008 0.000 0.990 407 N HN 0.436 nan 8.380 nan 0.000 0.449 408 A N 0.257 123.114 122.820 0.062 0.000 2.218 408 A HA 0.076 4.397 4.320 0.001 0.000 0.209 408 A C 0.642 178.287 177.584 0.101 0.000 1.168 408 A CA -0.527 51.546 52.037 0.060 0.000 0.804 408 A CB -0.412 18.616 19.000 0.048 0.000 0.834 408 A HN 0.301 nan 8.150 nan 0.000 0.482 409 F N 1.251 121.168 119.950 -0.055 0.000 2.635 409 F HA 0.240 4.768 4.527 0.001 0.000 0.379 409 F C 1.044 176.794 175.800 -0.083 0.000 1.094 409 F CA -0.285 57.672 58.000 -0.071 0.000 1.300 409 F CB 0.479 39.414 39.000 -0.109 0.000 1.035 409 F HN 0.329 nan 8.300 nan 0.000 0.581 410 A N 5.404 127.872 122.820 -0.586 0.000 2.448 410 A HA 0.020 4.341 4.320 0.001 0.000 0.239 410 A C -0.020 177.190 177.584 -0.625 0.000 1.080 410 A CA -0.402 51.337 52.037 -0.495 0.000 0.779 410 A CB 0.088 18.868 19.000 -0.366 0.000 1.026 410 A HN 0.822 nan 8.150 nan 0.000 0.499 411 D N -0.011 120.191 120.400 -0.329 0.000 2.424 411 D HA 0.099 4.739 4.640 0.001 0.000 0.244 411 D C 1.041 177.133 176.300 -0.346 0.000 1.134 411 D CA 1.009 54.867 54.000 -0.236 0.000 0.881 411 D CB 0.798 41.551 40.800 -0.079 0.000 1.191 411 D HN 0.538 nan 8.370 nan 0.000 0.445 412 T N -0.983 113.405 114.554 -0.277 0.000 3.044 412 T HA 0.080 4.431 4.350 0.001 0.000 0.260 412 T C 0.952 175.644 174.700 -0.012 0.000 1.019 412 T CA -0.275 61.671 62.100 -0.256 0.000 0.921 412 T CB -0.179 68.521 68.868 -0.279 0.000 1.053 412 T HN 0.444 nan 8.240 nan 0.000 0.533 413 T N 1.505 116.080 114.554 0.035 0.000 2.903 413 T HA 0.360 4.710 4.350 0.001 0.000 0.314 413 T C -2.654 172.073 174.700 0.044 0.000 1.078 413 T CA -1.195 60.939 62.100 0.056 0.000 1.114 413 T CB -0.042 68.858 68.868 0.053 0.000 0.987 413 T HN -0.004 nan 8.240 nan 0.000 0.548 414 P HA 0.120 nan 4.420 nan 0.000 0.267 414 P C -0.050 177.275 177.300 0.041 0.000 1.200 414 P CA -0.349 62.770 63.100 0.032 0.000 0.772 414 P CB 0.356 32.059 31.700 0.005 0.000 0.855 415 K N 1.995 122.420 120.400 0.042 0.000 2.524 415 K HA 0.147 4.468 4.320 0.001 0.000 0.279 415 K C 1.624 178.255 176.600 0.052 0.000 0.993 415 K CA 1.341 57.654 56.287 0.044 0.000 1.030 415 K CB -0.710 31.813 32.500 0.037 0.000 0.891 415 K HN 0.867 nan 8.250 nan 0.000 0.488 416 G N 2.137 110.972 108.800 0.057 0.000 2.268 416 G HA2 -0.280 3.681 3.960 0.001 0.000 0.240 416 G HA3 -0.280 3.681 3.960 0.001 0.000 0.240 416 G C 0.244 175.196 174.900 0.086 0.000 1.010 416 G CA 0.344 45.485 45.100 0.068 0.000 0.618 416 G HN 0.561 nan 8.290 nan 0.000 0.516 417 T N 3.051 117.656 114.554 0.085 0.000 2.871 417 T HA 0.432 4.782 4.350 0.001 0.000 0.296 417 T C 0.524 175.295 174.700 0.118 0.000 0.998 417 T CA 0.368 62.530 62.100 0.103 0.000 1.162 417 T CB 1.004 69.915 68.868 0.072 0.000 0.947 417 T HN 0.255 nan 8.240 nan 0.000 0.536 418 I N 3.936 124.606 120.570 0.166 0.000 2.336 418 I HA 0.275 4.445 4.170 0.001 0.000 0.292 418 I C 0.436 176.686 176.117 0.222 0.000 0.991 418 I CA -0.460 60.950 61.300 0.184 0.000 1.227 418 I CB 1.320 39.434 38.000 0.189 0.000 1.366 418 I HN 0.635 nan 8.210 nan 0.000 0.466 419 Q N 5.140 125.052 119.800 0.186 0.000 2.333 419 Q HA 0.589 4.930 4.340 0.001 0.000 0.267 419 Q C -1.254 174.876 176.000 0.216 0.000 1.012 419 Q CA -0.565 55.344 55.803 0.176 0.000 0.824 419 Q CB 2.603 31.411 28.738 0.117 0.000 1.290 419 Q HN 0.601 nan 8.270 nan 0.000 0.449 420 C N 1.616 121.063 119.300 0.244 0.000 2.634 420 C HA 0.554 5.015 4.460 0.001 0.000 0.313 420 C C -0.425 174.622 174.990 0.095 0.000 1.198 420 C CA -0.795 58.364 59.018 0.235 0.000 1.605 420 C CB 1.649 29.626 27.740 0.396 0.000 2.196 420 C HN 0.799 nan 8.230 nan 0.000 0.486 421 Q N 0.618 120.362 119.800 -0.094 0.000 2.356 421 Q HA 0.687 5.027 4.340 0.001 0.000 0.270 421 Q C -1.769 174.081 176.000 -0.250 0.000 1.058 421 Q CA -0.246 55.472 55.803 -0.141 0.000 0.802 421 Q CB 2.171 30.864 28.738 -0.075 0.000 1.303 421 Q HN 0.647 nan 8.270 nan 0.000 0.444 422 F N 0.850 120.750 119.950 -0.083 0.000 2.507 422 F HA 0.417 4.945 4.527 0.001 0.000 0.328 422 F C -1.065 174.647 175.800 -0.146 0.000 1.136 422 F CA -0.729 57.227 58.000 -0.073 0.000 0.930 422 F CB 1.068 39.986 39.000 -0.137 0.000 1.166 422 F HN 0.434 nan 8.300 nan 0.000 0.436 423 W N 2.652 123.947 121.300 -0.008 0.000 2.291 423 W HA 0.652 5.312 4.660 0.001 0.000 0.312 423 W C 0.371 176.988 176.519 0.162 0.000 1.061 423 W CA -0.771 56.627 57.345 0.089 0.000 1.296 423 W CB 1.519 31.097 29.460 0.195 0.000 1.223 423 W HN 0.640 nan 8.180 nan 0.000 0.421 424 G N 2.244 111.235 108.800 0.318 0.000 2.644 424 G HA2 0.683 4.643 3.960 0.001 0.000 0.307 424 G HA3 0.683 4.643 3.960 0.001 0.000 0.307 424 G C -2.043 173.093 174.900 0.393 0.000 1.250 424 G CA -1.011 44.281 45.100 0.319 0.000 0.996 424 G HN 0.331 nan 8.290 nan 0.000 0.489 425 L N 0.805 122.193 121.223 0.276 0.000 2.322 425 L HA 0.731 5.072 4.340 0.001 0.000 0.281 425 L C 0.826 177.804 176.870 0.181 0.000 1.014 425 L CA -0.409 54.582 54.840 0.251 0.000 0.815 425 L CB 1.242 43.382 42.059 0.134 0.000 1.247 425 L HN 0.745 nan 8.230 nan 0.000 0.421 426 G N 3.941 112.847 108.800 0.176 0.000 2.287 426 G HA2 0.382 4.342 3.960 0.001 0.000 0.235 426 G HA3 0.382 4.342 3.960 0.001 0.000 0.235 426 G C 0.806 175.766 174.900 0.101 0.000 1.258 426 G CA 0.357 45.540 45.100 0.137 0.000 0.884 426 G HN 2.013 nan 8.290 nan 0.000 0.518 427 A N 1.667 124.535 122.820 0.080 0.000 3.201 427 A HA -0.200 4.121 4.320 0.001 0.000 0.260 427 A C 1.508 179.125 177.584 0.056 0.000 1.222 427 A CA 1.757 53.828 52.037 0.055 0.000 1.124 427 A CB -1.864 17.164 19.000 0.046 0.000 1.155 427 A HN 1.279 nan 8.150 nan 0.000 0.924 428 D N -1.042 119.404 120.400 0.076 0.000 2.339 428 D HA 0.382 5.023 4.640 0.001 0.000 0.217 428 D C 1.482 177.828 176.300 0.076 0.000 1.050 428 D CA 1.089 55.134 54.000 0.076 0.000 0.856 428 D CB -0.603 40.256 40.800 0.099 0.000 0.922 428 D HN 1.872 nan 8.370 nan 0.000 0.518 429 G N -0.448 108.391 108.800 0.065 0.000 2.162 429 G HA2 -0.373 3.587 3.960 0.001 0.000 0.260 429 G HA3 -0.373 3.587 3.960 0.001 0.000 0.260 429 G C 1.175 176.111 174.900 0.060 0.000 0.976 429 G CA 0.776 45.905 45.100 0.049 0.000 0.655 429 G HN 0.368 nan 8.290 nan 0.000 0.533 430 T N 0.370 114.991 114.554 0.112 0.000 2.708 430 T HA -0.112 4.239 4.350 0.001 0.000 0.266 430 T C 2.574 177.268 174.700 -0.010 0.000 1.037 430 T CA 1.881 64.066 62.100 0.141 0.000 1.146 430 T CB -0.234 68.778 68.868 0.240 0.000 0.865 430 T HN 0.330 nan 8.240 nan 0.000 0.435 431 V N 1.448 121.325 119.914 -0.062 0.000 2.287 431 V HA -0.140 3.980 4.120 0.001 0.000 0.248 431 V C 2.887 178.841 176.094 -0.233 0.000 1.053 431 V CA 2.046 64.195 62.300 -0.251 0.000 1.027 431 V CB -1.435 30.166 31.823 -0.371 0.000 0.646 431 V HN 0.611 nan 8.190 nan 0.000 0.447 432 G N -0.468 108.252 108.800 -0.134 0.000 2.440 432 G HA2 -0.238 3.723 3.960 0.001 0.000 0.218 432 G HA3 -0.238 3.723 3.960 0.001 0.000 0.218 432 G C 1.760 176.630 174.900 -0.050 0.000 1.154 432 G CA 1.150 46.194 45.100 -0.093 0.000 0.767 432 G HN 0.628 nan 8.290 nan 0.000 0.552 433 A N 1.224 124.029 122.820 -0.025 0.000 1.902 433 A HA -0.083 4.238 4.320 0.001 0.000 0.217 433 A C 2.303 179.857 177.584 -0.049 0.000 1.181 433 A CA 1.854 53.896 52.037 0.007 0.000 0.623 433 A CB -0.427 18.599 19.000 0.043 0.000 0.818 433 A HN 0.351 nan 8.150 nan 0.000 0.443 434 N N 0.223 118.836 118.700 -0.144 0.000 2.120 434 N HA -0.135 4.606 4.740 0.001 0.000 0.188 434 N C 1.587 177.098 175.510 0.002 0.000 1.024 434 N CA 1.567 54.492 53.050 -0.208 0.000 0.852 434 N CB -0.363 38.036 38.487 -0.147 0.000 1.003 434 N HN 0.569 nan 8.380 nan 0.000 0.424 435 K N 0.582 121.016 120.400 0.056 0.000 2.097 435 K HA -0.051 4.270 4.320 0.001 0.000 0.206 435 K C 1.950 178.596 176.600 0.077 0.000 1.049 435 K CA 0.780 57.123 56.287 0.094 0.000 0.933 435 K CB 0.049 32.556 32.500 0.011 0.000 0.717 435 K HN 0.140 nan 8.250 nan 0.000 0.442 436 Q N 0.159 119.995 119.800 0.059 0.000 2.119 436 Q HA -0.042 4.298 4.340 0.001 0.000 0.201 436 Q C 2.169 178.275 176.000 0.177 0.000 0.972 436 Q CA 1.423 57.282 55.803 0.093 0.000 0.847 436 Q CB -0.175 28.611 28.738 0.081 0.000 0.903 436 Q HN 0.319 nan 8.270 nan 0.000 0.433 437 A N 0.643 123.575 122.820 0.186 0.000 1.933 437 A HA -0.140 4.180 4.320 0.001 0.000 0.218 437 A C 2.153 179.894 177.584 0.262 0.000 1.175 437 A CA 1.014 53.206 52.037 0.258 0.000 0.628 437 A CB -0.601 18.352 19.000 -0.079 0.000 0.814 437 A HN 0.318 nan 8.150 nan 0.000 0.444 438 I N -0.987 119.725 120.570 0.237 0.000 2.179 438 I HA -0.242 3.929 4.170 0.001 0.000 0.242 438 I C 2.490 178.739 176.117 0.220 0.000 1.088 438 I CA 1.519 62.992 61.300 0.288 0.000 1.357 438 I CB -0.185 37.907 38.000 0.153 0.000 1.051 438 I HN 0.142 nan 8.210 nan 0.000 0.409 439 K N 1.067 121.561 120.400 0.157 0.000 2.002 439 K HA -0.101 4.220 4.320 0.001 0.000 0.209 439 K C 1.886 178.562 176.600 0.125 0.000 1.048 439 K CA 1.568 57.923 56.287 0.113 0.000 0.930 439 K CB -0.468 32.080 32.500 0.080 0.000 0.714 439 K HN 0.222 nan 8.250 nan 0.000 0.438 440 I N 0.256 120.927 120.570 0.168 0.000 2.127 440 I HA -0.313 3.858 4.170 0.001 0.000 0.241 440 I C 2.098 178.315 176.117 0.167 0.000 1.075 440 I CA 1.434 62.840 61.300 0.176 0.000 1.334 440 I CB -0.317 37.852 38.000 0.281 0.000 1.040 440 I HN 0.100 nan 8.210 nan 0.000 0.405 441 I N 0.614 121.302 120.570 0.197 0.000 2.252 441 I HA -0.195 3.976 4.170 0.001 0.000 0.245 441 I C 2.662 178.853 176.117 0.123 0.000 1.102 441 I CA 1.596 62.974 61.300 0.129 0.000 1.385 441 I CB -0.866 37.164 38.000 0.049 0.000 1.064 441 I HN 0.274 nan 8.210 nan 0.000 0.414 442 G N 0.248 109.141 108.800 0.154 0.000 2.432 442 G HA2 -0.212 3.748 3.960 0.001 0.000 0.219 442 G HA3 -0.212 3.748 3.960 0.001 0.000 0.219 442 G C 1.133 176.051 174.900 0.030 0.000 1.135 442 G CA 0.836 45.988 45.100 0.088 0.000 0.767 442 G HN 0.298 nan 8.290 nan 0.000 0.550 443 D N -0.042 120.383 120.400 0.041 0.000 2.348 443 D HA 0.039 4.679 4.640 0.001 0.000 0.211 443 D C 1.434 177.738 176.300 0.008 0.000 0.998 443 D CA 0.310 54.319 54.000 0.014 0.000 0.873 443 D CB 0.144 40.955 40.800 0.019 0.000 0.925 443 D HN 0.260 nan 8.370 nan 0.000 0.524 444 N N -0.190 118.522 118.700 0.020 0.000 2.170 444 N HA 0.031 4.771 4.740 0.001 0.000 0.222 444 N C 0.101 175.612 175.510 0.002 0.000 1.218 444 N CA 0.209 53.265 53.050 0.010 0.000 0.889 444 N CB 1.801 40.301 38.487 0.022 0.000 1.083 444 N HN 0.182 nan 8.380 nan 0.000 0.520 445 T N -3.059 111.493 114.554 -0.002 0.000 2.812 445 T HA 0.359 4.710 4.350 0.001 0.000 0.294 445 T C -0.410 174.265 174.700 -0.041 0.000 1.159 445 T CA -0.525 61.568 62.100 -0.012 0.000 1.008 445 T CB 2.129 70.999 68.868 0.002 0.000 1.289 445 T HN -0.331 nan 8.240 nan 0.000 0.514 446 D N 0.281 120.651 120.400 -0.049 0.000 2.340 446 D HA 0.313 4.954 4.640 0.001 0.000 0.217 446 D C 0.452 176.657 176.300 -0.160 0.000 1.081 446 D CA -0.033 53.904 54.000 -0.105 0.000 0.842 446 D CB -0.053 40.710 40.800 -0.062 0.000 0.934 446 D HN 0.433 nan 8.370 nan 0.000 0.511 447 L N 0.238 121.420 121.223 -0.067 0.000 2.452 447 L HA 0.209 4.550 4.340 0.001 0.000 0.267 447 L C 0.359 177.180 176.870 -0.081 0.000 1.188 447 L CA -0.376 54.476 54.840 0.020 0.000 0.821 447 L CB 0.390 42.538 42.059 0.148 0.000 1.102 447 L HN -0.195 nan 8.230 nan 0.000 0.470 448 F N 0.792 120.804 119.950 0.103 0.000 2.377 448 F HA 0.601 5.128 4.527 0.001 0.000 0.328 448 F C 0.505 176.344 175.800 0.064 0.000 1.094 448 F CA -0.261 57.778 58.000 0.064 0.000 1.093 448 F CB 1.389 40.408 39.000 0.033 0.000 1.214 448 F HN 0.426 nan 8.300 nan 0.000 0.518 449 A N 2.612 125.517 122.820 0.141 0.000 2.486 449 A HA 0.673 4.993 4.320 0.001 0.000 0.300 449 A C -1.367 176.118 177.584 -0.164 0.000 1.048 449 A CA -0.611 51.353 52.037 -0.121 0.000 0.696 449 A CB 1.955 20.951 19.000 -0.007 0.000 1.278 449 A HN 0.704 nan 8.150 nan 0.000 0.405 450 Q N 1.089 120.681 119.800 -0.347 0.000 2.359 450 Q HA 0.637 4.977 4.340 0.001 0.000 0.274 450 Q C -0.875 174.967 176.000 -0.264 0.000 1.074 450 Q CA -0.625 55.053 55.803 -0.209 0.000 0.810 450 Q CB 2.379 31.025 28.738 -0.153 0.000 1.342 450 Q HN 1.253 nan 8.270 nan 0.000 0.427 451 G N 1.935 110.634 108.800 -0.168 0.000 2.701 451 G HA2 0.541 4.501 3.960 0.001 0.000 0.300 451 G HA3 0.541 4.501 3.960 0.001 0.000 0.300 451 G C -2.474 172.251 174.900 -0.291 0.000 1.410 451 G CA -0.270 44.651 45.100 -0.297 0.000 1.014 451 G HN 0.481 nan 8.290 nan 0.000 0.509 452 Y N 1.628 121.525 120.300 -0.671 0.000 2.433 452 Y HA 0.721 5.272 4.550 0.001 0.000 0.337 452 Y C -1.771 173.743 175.900 -0.643 0.000 1.026 452 Y CA -1.609 56.229 58.100 -0.436 0.000 1.037 452 Y CB 1.736 40.072 38.460 -0.206 0.000 1.245 452 Y HN 0.469 nan 8.280 nan 0.000 0.443 453 F N 3.244 122.865 119.950 -0.548 0.000 2.507 453 F HA 0.571 5.099 4.527 0.001 0.000 0.325 453 F C 0.065 175.407 175.800 -0.763 0.000 1.116 453 F CA -0.904 56.781 58.000 -0.525 0.000 0.930 453 F CB 2.188 40.881 39.000 -0.512 0.000 1.146 453 F HN 0.373 nan 8.300 nan 0.000 0.447 454 S N 2.595 118.051 115.700 -0.406 0.000 2.475 454 S HA 0.690 5.160 4.470 0.001 0.000 0.298 454 S C -0.962 173.342 174.600 -0.494 0.000 1.119 454 S CA -0.265 57.743 58.200 -0.320 0.000 1.085 454 S CB 0.451 63.583 63.200 -0.115 0.000 1.028 454 S HN 0.474 nan 8.310 nan 0.000 0.489 455 Y N 1.533 121.822 120.300 -0.017 0.000 2.853 455 Y HA 0.599 5.149 4.550 0.001 0.000 0.332 455 Y C 0.485 176.379 175.900 -0.011 0.000 1.229 455 Y CA -0.853 57.245 58.100 -0.004 0.000 1.177 455 Y CB 0.550 39.022 38.460 0.020 0.000 1.435 455 Y HN 0.538 nan 8.280 nan 0.000 0.659 456 D N -1.537 118.993 120.400 0.217 0.000 2.374 456 D HA 0.324 4.965 4.640 0.001 0.000 0.239 456 D C -0.011 176.373 176.300 0.140 0.000 0.991 456 D CA -0.291 53.787 54.000 0.130 0.000 0.960 456 D CB 2.265 43.136 40.800 0.118 0.000 1.284 456 D HN 0.425 nan 8.370 nan 0.000 0.512 457 S N 0.060 115.832 115.700 0.120 0.000 2.478 457 S HA 0.036 4.507 4.470 0.001 0.000 0.222 457 S C 0.506 175.182 174.600 0.127 0.000 1.008 457 S CA 0.153 58.424 58.200 0.118 0.000 0.928 457 S CB 0.168 63.432 63.200 0.106 0.000 0.781 457 S HN 0.251 nan 8.310 nan 0.000 0.518 458 K N 2.341 122.822 120.400 0.134 0.000 2.368 458 K HA 0.180 4.501 4.320 0.001 0.000 0.282 458 K C 0.523 177.202 176.600 0.132 0.000 1.035 458 K CA 0.121 56.493 56.287 0.142 0.000 0.973 458 K CB 0.631 33.217 32.500 0.143 0.000 0.957 458 K HN 0.169 nan 8.250 nan 0.000 0.474 459 K N 0.397 120.879 120.400 0.137 0.000 2.296 459 K HA -0.020 4.300 4.320 0.001 0.000 0.200 459 K C 0.815 177.474 176.600 0.099 0.000 1.048 459 K CA 0.489 56.846 56.287 0.117 0.000 0.966 459 K CB 0.331 32.911 32.500 0.134 0.000 0.754 459 K HN 0.383 nan 8.250 nan 0.000 0.466 460 S N -1.145 114.614 115.700 0.099 0.000 2.526 460 S HA 0.474 4.945 4.470 0.001 0.000 0.293 460 S C 0.063 174.714 174.600 0.085 0.000 1.092 460 S CA -0.129 58.116 58.200 0.076 0.000 0.980 460 S CB 1.602 64.831 63.200 0.047 0.000 1.048 460 S HN 0.444 nan 8.310 nan 0.000 0.483 461 G N 2.730 111.584 108.800 0.090 0.000 2.283 461 G HA2 -0.163 3.797 3.960 0.001 0.000 0.280 461 G HA3 -0.163 3.797 3.960 0.001 0.000 0.280 461 G C 0.543 175.542 174.900 0.164 0.000 1.029 461 G CA 0.215 45.385 45.100 0.117 0.000 0.840 461 G HN 1.156 nan 8.290 nan 0.000 0.505 462 G N -1.178 107.717 108.800 0.158 0.000 2.599 462 G HA2 0.552 4.513 3.960 0.001 0.000 0.264 462 G HA3 0.552 4.513 3.960 0.001 0.000 0.264 462 G C 0.194 175.214 174.900 0.200 0.000 1.200 462 G CA -0.339 44.863 45.100 0.170 0.000 0.896 462 G HN 0.922 nan 8.290 nan 0.000 0.536 463 I N -0.297 120.357 120.570 0.141 0.000 2.428 463 I HA 0.499 4.670 4.170 0.001 0.000 0.296 463 I C -0.328 175.792 176.117 0.004 0.000 0.985 463 I CA -0.360 60.986 61.300 0.077 0.000 1.260 463 I CB 1.662 39.537 38.000 -0.209 0.000 1.389 463 I HN 0.368 nan 8.210 nan 0.000 0.484 464 T N 7.919 122.476 114.554 0.004 0.000 2.861 464 T HA 0.509 4.859 4.350 0.001 0.000 0.287 464 T C -0.930 173.634 174.700 -0.227 0.000 1.003 464 T CA -0.297 61.740 62.100 -0.105 0.000 0.977 464 T CB 1.607 70.463 68.868 -0.020 0.000 0.996 464 T HN 0.426 nan 8.240 nan 0.000 0.448 465 I N 2.493 122.850 120.570 -0.354 0.000 2.447 465 I HA 0.566 4.737 4.170 0.001 0.000 0.287 465 I C -0.679 175.273 176.117 -0.274 0.000 1.023 465 I CA -0.126 60.871 61.300 -0.504 0.000 1.083 465 I CB 1.518 39.028 38.000 -0.816 0.000 1.245 465 I HN 0.508 nan 8.210 nan 0.000 0.434 466 S N 5.880 121.467 115.700 -0.188 0.000 2.489 466 S HA 0.574 5.044 4.470 0.001 0.000 0.291 466 S C -1.024 173.454 174.600 -0.204 0.000 1.151 466 S CA -0.356 57.802 58.200 -0.070 0.000 1.082 466 S CB 0.702 63.963 63.200 0.100 0.000 1.019 466 S HN 0.606 nan 8.310 nan 0.000 0.492 467 H N 1.506 120.480 119.070 -0.159 0.000 2.708 467 H HA 0.537 5.093 4.556 0.001 0.000 0.320 467 H C -0.735 174.518 175.328 -0.124 0.000 0.991 467 H CA -0.386 55.625 56.048 -0.062 0.000 1.243 467 H CB 0.543 30.273 29.762 -0.053 0.000 1.446 467 H HN 0.320 nan 8.280 nan 0.000 0.502 468 L N 3.227 124.503 121.223 0.089 0.000 2.362 468 L HA 0.671 5.011 4.340 0.001 0.000 0.271 468 L C -0.066 176.784 176.870 -0.034 0.000 1.002 468 L CA -0.858 53.965 54.840 -0.029 0.000 0.818 468 L CB 2.186 44.313 42.059 0.113 0.000 1.298 468 L HN 0.478 nan 8.230 nan 0.000 0.420 469 R N 2.082 122.401 120.500 -0.302 0.000 2.725 469 R HA 0.737 5.078 4.340 0.001 0.000 0.277 469 R C -1.803 174.203 176.300 -0.489 0.000 0.987 469 R CA -0.735 55.250 56.100 -0.191 0.000 0.901 469 R CB 2.687 32.912 30.300 -0.124 0.000 1.207 469 R HN 0.329 nan 8.270 nan 0.000 0.463 470 F N -0.348 119.662 119.950 0.100 0.000 2.581 470 F HA 0.688 5.216 4.527 0.001 0.000 0.311 470 F C 0.376 176.240 175.800 0.108 0.000 1.113 470 F CA -0.590 57.477 58.000 0.111 0.000 0.935 470 F CB 2.904 41.965 39.000 0.103 0.000 1.232 470 F HN 0.676 nan 8.300 nan 0.000 0.445 471 G N 1.289 110.278 108.800 0.315 0.000 2.576 471 G HA2 0.370 4.331 3.960 0.001 0.000 0.290 471 G HA3 0.370 4.331 3.960 0.001 0.000 0.290 471 G C -0.463 174.620 174.900 0.305 0.000 1.442 471 G CA -0.729 44.515 45.100 0.240 0.000 0.792 471 G HN 0.568 nan 8.290 nan 0.000 0.491 472 E N -0.502 119.839 120.200 0.234 0.000 2.285 472 E HA 0.019 4.369 4.350 0.001 0.000 0.194 472 E C 0.450 177.262 176.600 0.352 0.000 0.997 472 E CA 0.565 57.127 56.400 0.271 0.000 0.845 472 E CB 0.179 29.974 29.700 0.159 0.000 0.782 472 E HN 0.094 nan 8.360 nan 0.000 0.491 473 K N 1.177 121.660 120.400 0.138 0.000 2.123 473 K HA 0.365 4.685 4.320 0.001 0.000 0.248 473 K C -2.566 173.664 176.600 -0.617 0.000 0.969 473 K CA -2.640 53.557 56.287 -0.149 0.000 0.882 473 K CB 0.631 33.078 32.500 -0.088 0.000 1.080 473 K HN -0.220 nan 8.250 nan 0.000 0.441 474 P HA 0.086 nan 4.420 nan 0.000 0.266 474 P C -0.404 176.643 177.300 -0.423 0.000 1.195 474 P CA 0.312 62.768 63.100 -1.074 0.000 0.768 474 P CB 0.275 31.579 31.700 -0.660 0.000 0.838 475 I N 3.567 123.984 120.570 -0.255 0.000 2.291 475 I HA 0.144 4.315 4.170 0.001 0.000 0.290 475 I C 1.145 177.215 176.117 -0.078 0.000 1.050 475 I CA 0.189 61.421 61.300 -0.114 0.000 1.245 475 I CB 0.528 38.489 38.000 -0.064 0.000 1.405 475 I HN 0.294 nan 8.210 nan 0.000 0.478 476 Q N 3.198 122.966 119.800 -0.053 0.000 2.198 476 Q HA 0.172 4.513 4.340 0.001 0.000 0.209 476 Q C 0.132 176.141 176.000 0.016 0.000 0.848 476 Q CA -0.124 55.678 55.803 -0.002 0.000 0.974 476 Q CB 0.556 29.309 28.738 0.025 0.000 1.115 476 Q HN 0.589 nan 8.270 nan 0.000 0.494 477 S N 2.102 117.751 115.700 -0.084 0.000 3.900 477 S HA 0.011 4.481 4.470 0.001 0.000 0.248 477 S C 0.709 175.075 174.600 -0.391 0.000 1.310 477 S CA -0.106 57.916 58.200 -0.295 0.000 0.915 477 S CB -0.324 62.538 63.200 -0.564 0.000 1.588 477 S HN 0.289 nan 8.310 nan 0.000 0.472 478 T N 0.949 115.467 114.554 -0.059 0.000 3.820 478 T HA 0.365 4.715 4.350 0.001 0.000 0.224 478 T C -0.223 174.491 174.700 0.024 0.000 0.869 478 T CA -0.580 61.501 62.100 -0.033 0.000 0.932 478 T CB -1.206 67.720 68.868 0.096 0.000 1.259 478 T HN 0.580 nan 8.240 nan 0.000 0.676 479 Y N -1.641 118.574 120.300 -0.141 0.000 2.638 479 Y HA 0.655 5.205 4.550 0.001 0.000 0.335 479 Y C -0.852 174.903 175.900 -0.241 0.000 1.155 479 Y CA -2.203 55.792 58.100 -0.175 0.000 1.046 479 Y CB 0.746 39.150 38.460 -0.093 0.000 1.303 479 Y HN 0.012 nan 8.280 nan 0.000 0.460 480 L N 2.058 123.181 121.223 -0.168 0.000 2.482 480 L HA 0.260 4.600 4.340 0.001 0.000 0.273 480 L C 0.041 176.903 176.870 -0.012 0.000 1.228 480 L CA -0.936 53.707 54.840 -0.327 0.000 0.827 480 L CB 0.370 42.209 42.059 -0.368 0.000 1.099 480 L HN 0.531 nan 8.230 nan 0.000 0.494 481 V N 2.035 122.056 119.914 0.177 0.000 2.572 481 V HA -0.036 4.085 4.120 0.001 0.000 0.291 481 V C 0.618 176.848 176.094 0.228 0.000 1.039 481 V CA 0.304 62.730 62.300 0.209 0.000 1.055 481 V CB 0.956 32.919 31.823 0.234 0.000 0.969 481 V HN 1.002 nan 8.190 nan 0.000 0.482 482 N N 3.164 121.977 118.700 0.188 0.000 2.193 482 N HA 0.144 4.884 4.740 0.001 0.000 0.210 482 N C 0.336 175.908 175.510 0.103 0.000 1.215 482 N CA -0.237 52.900 53.050 0.145 0.000 0.901 482 N CB 0.529 39.092 38.487 0.127 0.000 1.060 482 N HN 0.546 nan 8.380 nan 0.000 0.508 483 R N 0.729 121.289 120.500 0.100 0.000 2.629 483 R HA 0.569 4.910 4.340 0.001 0.000 0.275 483 R C -1.159 175.191 176.300 0.082 0.000 1.719 483 R CA -0.448 55.695 56.100 0.071 0.000 1.472 483 R CB 1.479 31.809 30.300 0.050 0.000 1.237 483 R HN 0.181 nan 8.270 nan 0.000 0.589 484 A N 0.992 123.863 122.820 0.085 0.000 2.340 484 A HA 0.210 4.530 4.320 0.001 0.000 0.268 484 A C 0.414 178.064 177.584 0.110 0.000 1.100 484 A CA -0.441 51.657 52.037 0.101 0.000 0.803 484 A CB 0.498 19.553 19.000 0.092 0.000 1.043 484 A HN 0.591 nan 8.150 nan 0.000 0.488 485 D N -0.877 119.613 120.400 0.148 0.000 2.301 485 D HA 0.042 4.682 4.640 0.001 0.000 0.206 485 D C -0.715 175.723 176.300 0.231 0.000 0.979 485 D CA 1.444 55.544 54.000 0.166 0.000 0.874 485 D CB 0.299 41.198 40.800 0.165 0.000 0.968 485 D HN 0.566 nan 8.370 nan 0.000 0.510 486 Y N 1.087 121.433 120.300 0.077 0.000 2.373 486 Y HA 0.377 4.928 4.550 0.001 0.000 0.336 486 Y C -1.455 174.445 175.900 -0.001 0.000 0.979 486 Y CA -0.705 57.432 58.100 0.062 0.000 1.080 486 Y CB 1.601 40.094 38.460 0.055 0.000 1.190 486 Y HN -0.400 nan 8.280 nan 0.000 0.446 487 V N 5.645 125.343 119.914 -0.361 0.000 2.525 487 V HA 0.831 4.952 4.120 0.001 0.000 0.299 487 V C -0.687 175.250 176.094 -0.262 0.000 1.034 487 V CA -0.556 61.611 62.300 -0.223 0.000 0.863 487 V CB 1.415 33.218 31.823 -0.033 0.000 0.999 487 V HN 0.917 nan 8.190 nan 0.000 0.423 488 A N 3.462 126.139 122.820 -0.239 0.000 2.331 488 A HA 0.688 5.008 4.320 0.001 0.000 0.320 488 A C -0.543 177.196 177.584 0.258 0.000 1.138 488 A CA -0.434 51.612 52.037 0.014 0.000 0.790 488 A CB 1.382 20.481 19.000 0.164 0.000 1.206 488 A HN 0.955 nan 8.150 nan 0.000 0.470 489 C N 3.231 122.751 119.300 0.366 0.000 2.264 489 C HA 0.517 4.978 4.460 0.001 0.000 0.322 489 C C 0.892 176.117 174.990 0.391 0.000 1.210 489 C CA -0.383 58.865 59.018 0.384 0.000 1.539 489 C CB -1.476 26.485 27.740 0.368 0.000 2.167 489 C HN 1.011 nan 8.230 nan 0.000 0.463 490 H N 2.908 122.122 119.070 0.239 0.000 2.539 490 H HA 0.091 4.648 4.556 0.001 0.000 0.267 490 H C 0.621 175.931 175.328 -0.029 0.000 0.982 490 H CA 0.227 56.347 56.048 0.120 0.000 1.146 490 H CB 0.300 30.170 29.762 0.179 0.000 1.382 490 H HN 0.698 nan 8.280 nan 0.000 0.577 491 N N 1.078 119.755 118.700 -0.038 0.000 2.504 491 N HA 0.061 4.802 4.740 0.001 0.000 0.280 491 N C -2.036 173.299 175.510 -0.290 0.000 1.052 491 N CA -2.103 50.751 53.050 -0.327 0.000 0.887 491 N CB 1.708 39.695 38.487 -0.833 0.000 1.323 491 N HN -0.131 nan 8.380 nan 0.000 0.509 492 P HA -0.173 nan 4.420 nan 0.000 0.219 492 P C 0.994 178.332 177.300 0.065 0.000 1.146 492 P CA 0.971 63.964 63.100 -0.177 0.000 0.808 492 P CB 0.217 31.596 31.700 -0.536 0.000 0.779 493 A N -0.920 121.907 122.820 0.013 0.000 2.125 493 A HA -0.164 4.156 4.320 0.001 0.000 0.219 493 A C 2.172 179.945 177.584 0.314 0.000 1.156 493 A CA 0.878 53.011 52.037 0.159 0.000 0.671 493 A CB -1.728 17.345 19.000 0.122 0.000 0.794 493 A HN 0.260 nan 8.150 nan 0.000 0.459 494 Y N -0.880 119.548 120.300 0.212 0.000 2.373 494 Y HA -0.143 4.408 4.550 0.001 0.000 0.293 494 Y C 2.423 178.389 175.900 0.110 0.000 1.129 494 Y CA 0.270 58.521 58.100 0.253 0.000 1.226 494 Y CB -0.194 38.450 38.460 0.307 0.000 1.000 494 Y HN 0.129 nan 8.280 nan 0.000 0.549 495 V N 0.028 120.112 119.914 0.284 0.000 2.277 495 V HA -0.348 3.772 4.120 0.001 0.000 0.253 495 V C 2.197 178.330 176.094 0.066 0.000 1.067 495 V CA 2.173 64.584 62.300 0.184 0.000 1.047 495 V CB -1.169 30.847 31.823 0.322 0.000 0.649 495 V HN 0.586 nan 8.190 nan 0.000 0.447 496 G N -1.274 107.568 108.800 0.070 0.000 3.284 496 G HA2 0.311 4.272 3.960 0.001 0.000 0.236 496 G HA3 0.311 4.272 3.960 0.001 0.000 0.236 496 G C 1.055 175.907 174.900 -0.080 0.000 1.158 496 G CA 0.528 45.618 45.100 -0.017 0.000 0.774 496 G HN 0.687 nan 8.290 nan 0.000 0.545 497 I N -5.357 115.128 120.570 -0.142 0.000 4.770 497 I HA 0.474 4.645 4.170 0.001 0.000 0.327 497 I C -0.212 175.635 176.117 -0.451 0.000 1.271 497 I CA -0.550 60.548 61.300 -0.336 0.000 1.320 497 I CB 0.562 38.262 38.000 -0.501 0.000 1.319 497 I HN -0.115 nan 8.210 nan 0.000 0.462 498 Y N 1.860 122.104 120.300 -0.095 0.000 2.509 498 Y HA 0.451 5.001 4.550 0.001 0.000 0.341 498 Y C -0.120 175.617 175.900 -0.272 0.000 1.038 498 Y CA -0.943 57.056 58.100 -0.168 0.000 1.089 498 Y CB 1.107 39.403 38.460 -0.273 0.000 1.241 498 Y HN -0.111 nan 8.280 nan 0.000 0.468 499 D N 2.778 123.168 120.400 -0.017 0.000 2.600 499 D HA 0.053 4.694 4.640 0.001 0.000 0.226 499 D C 1.016 177.175 176.300 -0.235 0.000 1.119 499 D CA 0.327 54.267 54.000 -0.100 0.000 1.051 499 D CB 0.030 40.828 40.800 -0.005 0.000 1.106 499 D HN 0.442 nan 8.370 nan 0.000 0.491 500 I N 1.523 121.795 120.570 -0.497 0.000 2.264 500 I HA -0.247 3.924 4.170 0.001 0.000 0.248 500 I C 1.634 177.478 176.117 -0.455 0.000 1.111 500 I CA 0.739 61.564 61.300 -0.791 0.000 1.382 500 I CB -0.389 37.156 38.000 -0.757 0.000 1.060 500 I HN 0.328 nan 8.210 nan 0.000 0.418 501 L N 0.431 121.416 121.223 -0.398 0.000 2.685 501 L HA 0.182 4.523 4.340 0.001 0.000 0.233 501 L C 1.047 177.822 176.870 -0.158 0.000 1.173 501 L CA -0.063 54.575 54.840 -0.336 0.000 0.961 501 L CB -0.908 40.879 42.059 -0.454 0.000 1.217 501 L HN 0.196 nan 8.230 nan 0.000 0.478 502 E N 0.589 120.742 120.200 -0.078 0.000 2.493 502 E HA 0.201 4.551 4.350 0.001 0.000 0.255 502 E C 1.360 177.966 176.600 0.010 0.000 0.999 502 E CA 0.835 57.226 56.400 -0.016 0.000 0.934 502 E CB 0.157 29.881 29.700 0.039 0.000 0.940 502 E HN 0.426 nan 8.360 nan 0.000 0.473 503 G N 4.365 113.165 108.800 -0.000 0.000 2.184 503 G HA2 -0.339 3.621 3.960 0.001 0.000 0.264 503 G HA3 -0.339 3.621 3.960 0.001 0.000 0.264 503 G C 0.447 175.357 174.900 0.015 0.000 0.975 503 G CA 0.194 45.303 45.100 0.016 0.000 0.642 503 G HN 0.692 nan 8.290 nan 0.000 0.536 504 I N 1.361 121.927 120.570 -0.007 0.000 2.845 504 I HA 0.161 4.331 4.170 0.001 0.000 0.296 504 I C 1.005 177.133 176.117 0.019 0.000 1.216 504 I CA 0.078 61.379 61.300 0.003 0.000 1.438 504 I CB 0.267 38.243 38.000 -0.040 0.000 1.342 504 I HN 0.152 nan 8.210 nan 0.000 0.577 505 K N 5.490 125.917 120.400 0.044 0.000 2.319 505 K HA 0.053 4.373 4.320 0.001 0.000 0.265 505 K C -0.480 176.152 176.600 0.054 0.000 1.000 505 K CA -0.489 55.827 56.287 0.049 0.000 0.943 505 K CB 0.245 32.783 32.500 0.063 0.000 0.950 505 K HN 0.509 nan 8.250 nan 0.000 0.485 506 D N 0.340 120.769 120.400 0.050 0.000 2.443 506 D HA 0.091 4.732 4.640 0.001 0.000 0.239 506 D C 1.143 177.490 176.300 0.080 0.000 1.136 506 D CA 1.210 55.245 54.000 0.058 0.000 0.879 506 D CB 0.771 41.601 40.800 0.049 0.000 1.195 506 D HN 0.725 nan 8.370 nan 0.000 0.443 507 G N 1.433 110.293 108.800 0.100 0.000 2.168 507 G HA2 -0.197 3.764 3.960 0.001 0.000 0.263 507 G HA3 -0.197 3.764 3.960 0.001 0.000 0.263 507 G C 0.790 175.776 174.900 0.144 0.000 0.977 507 G CA 0.247 45.421 45.100 0.122 0.000 0.659 507 G HN 0.803 nan 8.290 nan 0.000 0.533 508 G N -1.022 107.861 108.800 0.137 0.000 2.634 508 G HA2 0.530 4.491 3.960 0.001 0.000 0.255 508 G HA3 0.530 4.491 3.960 0.001 0.000 0.255 508 G C 0.223 175.253 174.900 0.218 0.000 1.205 508 G CA 0.841 46.035 45.100 0.157 0.000 0.884 508 G HN 0.959 nan 8.290 nan 0.000 0.549 509 T N -0.724 113.976 114.554 0.244 0.000 2.829 509 T HA 0.530 4.881 4.350 0.001 0.000 0.282 509 T C -1.379 173.476 174.700 0.258 0.000 0.990 509 T CA -0.612 61.677 62.100 0.314 0.000 1.028 509 T CB 0.526 69.602 68.868 0.347 0.000 0.951 509 T HN 0.378 nan 8.240 nan 0.000 0.460 510 F N 6.395 126.451 119.950 0.177 0.000 2.499 510 F HA 0.643 5.171 4.527 0.001 0.000 0.333 510 F C -1.206 174.739 175.800 0.242 0.000 1.138 510 F CA -1.499 56.565 58.000 0.107 0.000 0.945 510 F CB 1.222 40.313 39.000 0.150 0.000 1.181 510 F HN 0.401 nan 8.300 nan 0.000 0.435 511 V N 8.443 128.255 119.914 -0.171 0.000 2.459 511 V HA 0.730 4.851 4.120 0.001 0.000 0.295 511 V C -1.832 174.047 176.094 -0.359 0.000 1.029 511 V CA -0.591 61.573 62.300 -0.227 0.000 0.874 511 V CB 1.491 33.274 31.823 -0.067 0.000 0.985 511 V HN 0.787 nan 8.190 nan 0.000 0.438 512 L N 6.406 127.399 121.223 -0.383 0.000 2.365 512 L HA 0.556 4.897 4.340 0.001 0.000 0.273 512 L C -0.302 176.484 176.870 -0.140 0.000 1.000 512 L CA -0.105 54.590 54.840 -0.242 0.000 0.819 512 L CB 1.876 43.801 42.059 -0.223 0.000 1.284 512 L HN 0.810 nan 8.230 nan 0.000 0.418 513 N N 3.391 122.040 118.700 -0.085 0.000 2.426 513 N HA 0.556 5.297 4.740 0.001 0.000 0.257 513 N C -1.181 174.164 175.510 -0.275 0.000 1.002 513 N CA 0.154 53.123 53.050 -0.135 0.000 0.942 513 N CB 0.689 39.125 38.487 -0.085 0.000 1.112 513 N HN 0.806 nan 8.380 nan 0.000 0.499 514 S N 3.001 118.484 115.700 -0.361 0.000 2.595 514 S HA 0.409 4.879 4.470 0.001 0.000 0.270 514 S C -2.836 171.447 174.600 -0.528 0.000 1.145 514 S CA -0.808 56.979 58.200 -0.688 0.000 0.825 514 S CB 2.155 64.644 63.200 -1.184 0.000 1.107 514 S HN 0.439 nan 8.310 nan 0.000 0.461 515 P HA 0.280 nan 4.420 nan 0.000 0.268 515 P C -0.477 176.781 177.300 -0.071 0.000 1.329 515 P CA 0.032 62.961 63.100 -0.284 0.000 0.899 515 P CB -0.109 31.462 31.700 -0.215 0.000 1.378 516 W N 1.375 122.668 121.300 -0.012 0.000 1.606 516 W HA 0.263 4.923 4.660 0.001 0.000 0.455 516 W C 0.866 177.470 176.519 0.143 0.000 0.711 516 W CA -0.566 56.813 57.345 0.057 0.000 1.876 516 W CB -1.129 28.368 29.460 0.061 0.000 1.776 516 W HN 0.002 nan 8.180 nan 0.000 0.229 517 S N 1.044 116.917 115.700 0.289 0.000 2.387 517 S HA -0.104 4.366 4.470 0.001 0.000 0.226 517 S C 1.315 176.099 174.600 0.307 0.000 1.026 517 S CA 0.872 59.224 58.200 0.253 0.000 0.972 517 S CB -0.007 63.273 63.200 0.134 0.000 0.814 517 S HN 0.419 nan 8.310 nan 0.000 0.477 518 S N 1.519 117.384 115.700 0.274 0.000 2.617 518 S HA 0.358 4.828 4.470 0.001 0.000 0.269 518 S C 0.842 175.652 174.600 0.349 0.000 1.292 518 S CA -0.731 57.600 58.200 0.219 0.000 1.010 518 S CB 0.949 64.242 63.200 0.154 0.000 0.944 518 S HN 0.138 nan 8.310 nan 0.000 0.536 519 L N 0.989 122.360 121.223 0.247 0.000 2.191 519 L HA -0.006 4.335 4.340 0.001 0.000 0.212 519 L C 2.358 179.441 176.870 0.355 0.000 1.103 519 L CA 2.069 57.146 54.840 0.395 0.000 0.769 519 L CB -1.027 41.131 42.059 0.165 0.000 0.908 519 L HN 1.023 nan 8.230 nan 0.000 0.438 520 E N -0.696 119.642 120.200 0.230 0.000 2.028 520 E HA -0.241 4.110 4.350 0.001 0.000 0.191 520 E C 1.619 178.324 176.600 0.174 0.000 0.988 520 E CA 1.570 58.074 56.400 0.173 0.000 0.799 520 E CB -0.035 29.738 29.700 0.121 0.000 0.755 520 E HN 0.522 nan 8.360 nan 0.000 0.447 521 D N 0.047 120.577 120.400 0.217 0.000 2.144 521 D HA -0.150 4.490 4.640 0.001 0.000 0.200 521 D C 1.845 178.261 176.300 0.194 0.000 0.978 521 D CA 0.936 55.074 54.000 0.230 0.000 0.833 521 D CB -0.192 40.797 40.800 0.316 0.000 0.961 521 D HN 0.199 nan 8.370 nan 0.000 0.470 522 M N 0.780 120.570 119.600 0.316 0.000 2.132 522 M HA -0.118 4.363 4.480 0.001 0.000 0.263 522 M C 1.131 177.507 176.300 0.126 0.000 1.065 522 M CA 1.459 56.935 55.300 0.294 0.000 1.122 522 M CB -0.204 32.706 32.600 0.516 0.000 1.365 522 M HN -0.241 nan 8.290 nan 0.000 0.411 523 D N -0.046 120.484 120.400 0.216 0.000 2.178 523 D HA -0.187 4.453 4.640 0.001 0.000 0.201 523 D C 1.897 178.141 176.300 -0.094 0.000 0.980 523 D CA 1.167 55.227 54.000 0.100 0.000 0.842 523 D CB -0.237 40.681 40.800 0.197 0.000 0.948 523 D HN 0.477 nan 8.370 nan 0.000 0.472 524 K N -0.672 119.649 120.400 -0.131 0.000 2.228 524 K HA -0.087 4.234 4.320 0.001 0.000 0.202 524 K C 1.235 177.492 176.600 -0.572 0.000 1.051 524 K CA 0.910 57.014 56.287 -0.305 0.000 0.960 524 K CB 0.149 32.474 32.500 -0.293 0.000 0.743 524 K HN 0.196 nan 8.250 nan 0.000 0.458 525 H N -1.070 117.660 119.070 -0.566 0.000 2.681 525 H HA 0.167 4.724 4.556 0.001 0.000 0.268 525 H C -0.618 174.310 175.328 -0.666 0.000 0.967 525 H CA -0.359 55.175 56.048 -0.856 0.000 1.233 525 H CB 0.569 29.110 29.762 -2.034 0.000 1.445 525 H HN -0.021 nan 8.280 nan 0.000 0.494 526 L N 2.969 123.953 121.223 -0.397 0.000 2.331 526 L HA 0.267 4.608 4.340 0.001 0.000 0.278 526 L C -2.311 174.369 176.870 -0.315 0.000 1.106 526 L CA -2.129 52.537 54.840 -0.289 0.000 0.824 526 L CB 0.678 42.551 42.059 -0.309 0.000 1.142 526 L HN -0.068 nan 8.230 nan 0.000 0.443 527 P HA 0.142 nan 4.420 nan 0.000 0.271 527 P C 0.394 177.513 177.300 -0.303 0.000 1.218 527 P CA -0.188 62.769 63.100 -0.238 0.000 0.780 527 P CB 0.762 32.356 31.700 -0.176 0.000 0.901 528 S N 1.410 116.953 115.700 -0.262 0.000 2.383 528 S HA -0.168 4.303 4.470 0.001 0.000 0.229 528 S C 2.170 176.618 174.600 -0.253 0.000 1.030 528 S CA 1.583 59.620 58.200 -0.271 0.000 1.002 528 S CB -1.814 61.274 63.200 -0.187 0.000 0.829 528 S HN 0.553 nan 8.310 nan 0.000 0.467 529 G N 1.757 110.434 108.800 -0.206 0.000 2.440 529 G HA2 -0.074 3.886 3.960 0.001 0.000 0.218 529 G HA3 -0.074 3.886 3.960 0.001 0.000 0.218 529 G C 1.457 176.223 174.900 -0.224 0.000 1.154 529 G CA 1.017 46.008 45.100 -0.183 0.000 0.767 529 G HN 0.580 nan 8.290 nan 0.000 0.552 530 I N 0.128 120.536 120.570 -0.271 0.000 2.353 530 I HA -0.098 4.072 4.170 0.001 0.000 0.248 530 I C 2.782 178.666 176.117 -0.389 0.000 1.119 530 I CA 0.966 62.076 61.300 -0.317 0.000 1.417 530 I CB -0.160 37.664 38.000 -0.294 0.000 1.078 530 I HN 0.142 nan 8.210 nan 0.000 0.421 531 K N 0.785 120.873 120.400 -0.521 0.000 2.057 531 K HA -0.167 4.154 4.320 0.001 0.000 0.207 531 K C 2.243 178.682 176.600 -0.268 0.000 1.049 531 K CA 1.394 57.247 56.287 -0.723 0.000 0.931 531 K CB -0.157 31.661 32.500 -1.138 0.000 0.714 531 K HN 0.297 nan 8.250 nan 0.000 0.440 532 R N 0.108 120.480 120.500 -0.213 0.000 2.075 532 R HA -0.058 4.283 4.340 0.001 0.000 0.232 532 R C 2.418 178.667 176.300 -0.086 0.000 1.126 532 R CA 1.591 57.635 56.100 -0.093 0.000 0.963 532 R CB -0.489 29.755 30.300 -0.093 0.000 0.858 532 R HN 0.147 nan 8.270 nan 0.000 0.435 533 T N 1.501 115.972 114.554 -0.139 0.000 2.708 533 T HA -0.088 4.263 4.350 0.001 0.000 0.266 533 T C 1.916 176.540 174.700 -0.126 0.000 1.037 533 T CA 1.209 63.232 62.100 -0.130 0.000 1.146 533 T CB -0.166 68.595 68.868 -0.178 0.000 0.865 533 T HN 0.127 nan 8.240 nan 0.000 0.435 534 I N 1.241 121.697 120.570 -0.189 0.000 2.163 534 I HA -0.243 3.928 4.170 0.001 0.000 0.243 534 I C 2.875 178.830 176.117 -0.269 0.000 1.085 534 I CA 1.370 62.524 61.300 -0.244 0.000 1.347 534 I CB -0.455 37.323 38.000 -0.370 0.000 1.044 534 I HN 0.218 nan 8.210 nan 0.000 0.408 535 A N 0.703 123.413 122.820 -0.183 0.000 1.872 535 A HA -0.189 4.131 4.320 0.001 0.000 0.214 535 A C 2.043 179.688 177.584 0.102 0.000 1.187 535 A CA 1.920 53.973 52.037 0.027 0.000 0.614 535 A CB -0.982 18.129 19.000 0.186 0.000 0.826 535 A HN 0.463 nan 8.150 nan 0.000 0.442 536 N N -0.343 118.387 118.700 0.048 0.000 2.120 536 N HA -0.120 4.621 4.740 0.001 0.000 0.188 536 N C 1.276 176.815 175.510 0.048 0.000 1.024 536 N CA 1.233 54.310 53.050 0.046 0.000 0.852 536 N CB -0.125 38.372 38.487 0.016 0.000 1.003 536 N HN 0.395 nan 8.380 nan 0.000 0.424 537 K N 1.130 121.548 120.400 0.031 0.000 2.487 537 K HA 0.085 4.405 4.320 0.001 0.000 0.192 537 K C -0.364 176.289 176.600 0.088 0.000 1.027 537 K CA 0.188 56.500 56.287 0.043 0.000 1.054 537 K CB 0.290 32.799 32.500 0.015 0.000 0.824 537 K HN 0.111 nan 8.250 nan 0.000 0.510 538 K N 1.450 121.929 120.400 0.131 0.000 3.278 538 K HA -0.187 4.133 4.320 0.001 0.000 0.270 538 K C -0.433 176.309 176.600 0.237 0.000 0.955 538 K CA 0.316 56.734 56.287 0.219 0.000 0.723 538 K CB -1.711 30.883 32.500 0.157 0.000 1.382 538 K HN 0.255 nan 8.250 nan 0.000 0.461 539 L N 0.712 122.072 121.223 0.228 0.000 2.436 539 L HA 0.148 4.489 4.340 0.001 0.000 0.265 539 L C 0.841 177.939 176.870 0.380 0.000 1.168 539 L CA -0.239 54.753 54.840 0.253 0.000 0.815 539 L CB 0.424 42.603 42.059 0.200 0.000 1.109 539 L HN 0.082 nan 8.230 nan 0.000 0.462 540 K N 2.472 123.085 120.400 0.355 0.000 2.250 540 K HA 0.244 4.564 4.320 0.001 0.000 0.280 540 K C -0.861 176.010 176.600 0.452 0.000 1.098 540 K CA -0.278 56.212 56.287 0.339 0.000 0.916 540 K CB 0.469 33.185 32.500 0.360 0.000 1.209 540 K HN 0.213 nan 8.250 nan 0.000 0.461 541 F N 3.914 123.998 119.950 0.224 0.000 2.410 541 F HA 0.310 4.838 4.527 0.001 0.000 0.349 541 F C -1.081 174.742 175.800 0.038 0.000 1.117 541 F CA -1.108 57.021 58.000 0.214 0.000 1.104 541 F CB 0.411 39.584 39.000 0.289 0.000 1.122 541 F HN 0.332 nan 8.300 nan 0.000 0.483 542 Y N 4.153 124.255 120.300 -0.331 0.000 2.391 542 Y HA 0.335 4.885 4.550 0.001 0.000 0.341 542 Y C -0.361 175.145 175.900 -0.656 0.000 0.965 542 Y CA -1.064 56.800 58.100 -0.393 0.000 1.067 542 Y CB 1.735 40.124 38.460 -0.118 0.000 1.199 542 Y HN 0.619 nan 8.280 nan 0.000 0.450 543 N N 3.110 121.589 118.700 -0.369 0.000 2.342 543 N HA 0.647 5.388 4.740 0.001 0.000 0.293 543 N C -1.851 173.608 175.510 -0.084 0.000 1.026 543 N CA -0.506 52.368 53.050 -0.293 0.000 0.857 543 N CB 1.242 39.576 38.487 -0.256 0.000 1.256 543 N HN 0.726 nan 8.380 nan 0.000 0.484 544 I N 1.783 122.303 120.570 -0.084 0.000 2.534 544 I HA 0.282 4.453 4.170 0.001 0.000 0.288 544 I C -1.157 174.912 176.117 -0.080 0.000 1.077 544 I CA -0.693 60.580 61.300 -0.045 0.000 1.051 544 I CB 1.573 39.563 38.000 -0.017 0.000 1.234 544 I HN 0.532 nan 8.210 nan 0.000 0.425 545 D N 6.633 126.993 120.400 -0.066 0.000 2.608 545 D HA 0.262 4.902 4.640 0.001 0.000 0.224 545 D C 1.097 177.352 176.300 -0.075 0.000 1.123 545 D CA 0.303 54.248 54.000 -0.091 0.000 1.030 545 D CB 1.066 41.827 40.800 -0.066 0.000 1.093 545 D HN 0.672 nan 8.370 nan 0.000 0.497 546 A N 2.141 124.911 122.820 -0.084 0.000 1.948 546 A HA -0.172 4.149 4.320 0.001 0.000 0.220 546 A C 2.288 179.834 177.584 -0.064 0.000 1.177 546 A CA 1.231 53.227 52.037 -0.069 0.000 0.636 546 A CB -0.313 18.637 19.000 -0.084 0.000 0.815 546 A HN 0.426 nan 8.150 nan 0.000 0.449 547 V N 0.153 120.021 119.914 -0.076 0.000 2.343 547 V HA -0.275 3.846 4.120 0.001 0.000 0.247 547 V C 2.533 178.597 176.094 -0.049 0.000 1.051 547 V CA 2.396 64.659 62.300 -0.062 0.000 1.036 547 V CB -0.650 31.130 31.823 -0.072 0.000 0.654 547 V HN 0.722 nan 8.190 nan 0.000 0.451 548 K N 0.120 120.490 120.400 -0.049 0.000 2.026 548 K HA -0.145 4.175 4.320 0.001 0.000 0.208 548 K C 2.134 178.716 176.600 -0.030 0.000 1.048 548 K CA 1.704 57.970 56.287 -0.035 0.000 0.929 548 K CB -0.237 32.245 32.500 -0.031 0.000 0.713 548 K HN 0.411 nan 8.250 nan 0.000 0.439 549 I N 1.154 121.705 120.570 -0.031 0.000 2.163 549 I HA -0.280 3.890 4.170 0.001 0.000 0.243 549 I C 2.541 178.639 176.117 -0.031 0.000 1.085 549 I CA 1.310 62.594 61.300 -0.027 0.000 1.347 549 I CB -0.459 37.526 38.000 -0.024 0.000 1.044 549 I HN 0.285 nan 8.210 nan 0.000 0.408 550 A N 0.238 123.037 122.820 -0.036 0.000 1.933 550 A HA -0.205 4.116 4.320 0.001 0.000 0.218 550 A C 2.372 179.935 177.584 -0.036 0.000 1.175 550 A CA 2.461 54.475 52.037 -0.039 0.000 0.628 550 A CB -1.034 17.943 19.000 -0.039 0.000 0.814 550 A HN 0.397 nan 8.150 nan 0.000 0.444 551 T N 0.158 114.693 114.554 -0.031 0.000 2.777 551 T HA -0.102 4.249 4.350 0.001 0.000 0.266 551 T C 1.466 176.151 174.700 -0.025 0.000 1.040 551 T CA 1.428 63.512 62.100 -0.027 0.000 1.141 551 T CB -0.371 68.483 68.868 -0.023 0.000 0.868 551 T HN 0.476 nan 8.240 nan 0.000 0.444 552 D N 1.268 121.654 120.400 -0.024 0.000 2.144 552 D HA -0.075 4.566 4.640 0.001 0.000 0.199 552 D C 2.197 178.481 176.300 -0.026 0.000 0.984 552 D CA 1.041 55.028 54.000 -0.022 0.000 0.834 552 D CB -0.357 40.432 40.800 -0.019 0.000 0.955 552 D HN 0.452 nan 8.370 nan 0.000 0.465 553 V N -3.021 116.873 119.914 -0.033 0.000 3.623 553 V HA 0.421 4.542 4.120 0.001 0.000 0.271 553 V C 1.427 177.493 176.094 -0.047 0.000 1.248 553 V CA 0.774 63.050 62.300 -0.040 0.000 1.156 553 V CB -0.102 31.692 31.823 -0.048 0.000 0.870 553 V HN 0.235 nan 8.190 nan 0.000 0.453 554 G N 0.661 109.436 108.800 -0.041 0.000 2.144 554 G HA2 -0.207 3.753 3.960 0.001 0.000 0.218 554 G HA3 -0.207 3.753 3.960 0.001 0.000 0.218 554 G C 0.269 175.140 174.900 -0.048 0.000 0.988 554 G CA 0.227 45.302 45.100 -0.042 0.000 0.659 554 G HN 0.519 nan 8.290 nan 0.000 0.522 555 L N 0.708 121.901 121.223 -0.050 0.000 2.629 555 L HA 0.389 4.730 4.340 0.001 0.000 0.230 555 L C 2.055 178.904 176.870 -0.034 0.000 1.151 555 L CA 0.465 55.274 54.840 -0.051 0.000 0.924 555 L CB -0.139 41.882 42.059 -0.063 0.000 1.137 555 L HN 0.794 nan 8.230 nan 0.000 0.457 556 G N 0.484 109.266 108.800 -0.029 0.000 2.321 556 G HA2 -0.270 3.691 3.960 0.001 0.000 0.287 556 G HA3 -0.270 3.691 3.960 0.001 0.000 0.287 556 G C 1.035 175.923 174.900 -0.020 0.000 1.018 556 G CA 0.508 45.595 45.100 -0.021 0.000 0.855 556 G HN 0.687 nan 8.290 nan 0.000 0.507 557 G N -1.770 107.015 108.800 -0.025 0.000 2.213 557 G HA2 -0.254 3.707 3.960 0.001 0.000 0.236 557 G HA3 -0.254 3.707 3.960 0.001 0.000 0.236 557 G C 0.594 175.479 174.900 -0.025 0.000 0.991 557 G CA 0.491 45.575 45.100 -0.026 0.000 0.629 557 G HN 0.914 nan 8.290 nan 0.000 0.517 558 R N 1.119 121.607 120.500 -0.020 0.000 2.473 558 R HA 0.237 4.578 4.340 0.001 0.000 0.315 558 R C 1.912 178.199 176.300 -0.022 0.000 0.972 558 R CA 0.490 56.582 56.100 -0.013 0.000 1.047 558 R CB -0.119 30.179 30.300 -0.003 0.000 0.932 558 R HN 0.793 nan 8.270 nan 0.000 0.411 559 I N 0.615 121.170 120.570 -0.024 0.000 3.603 559 I HA -0.090 4.080 4.170 0.001 0.000 0.297 559 I C 1.271 177.362 176.117 -0.044 0.000 1.269 559 I CA 0.358 61.631 61.300 -0.045 0.000 1.361 559 I CB -0.153 37.806 38.000 -0.069 0.000 1.063 559 I HN 0.387 nan 8.210 nan 0.000 0.448 560 N N 2.051 120.745 118.700 -0.009 0.000 2.060 560 N HA -0.316 4.425 4.740 0.001 0.000 0.195 560 N C 1.760 177.289 175.510 0.032 0.000 1.028 560 N CA 2.147 55.208 53.050 0.018 0.000 0.861 560 N CB -0.583 37.935 38.487 0.052 0.000 1.029 560 N HN 0.325 nan 8.380 nan 0.000 0.428 561 M N -0.435 119.179 119.600 0.024 0.000 2.229 561 M HA 0.159 4.639 4.480 0.001 0.000 0.264 561 M C 1.327 177.643 176.300 0.027 0.000 1.063 561 M CA 1.076 56.392 55.300 0.027 0.000 1.114 561 M CB -0.234 32.354 32.600 -0.020 0.000 1.387 561 M HN 0.244 nan 8.290 nan 0.000 0.420 562 I N -0.513 120.058 120.570 0.002 0.000 2.233 562 I HA -0.238 3.933 4.170 0.001 0.000 0.243 562 I C 1.954 178.090 176.117 0.032 0.000 1.093 562 I CA 1.155 62.459 61.300 0.006 0.000 1.380 562 I CB -0.572 37.414 38.000 -0.024 0.000 1.067 562 I HN 0.234 nan 8.210 nan 0.000 0.413 563 M N -0.494 119.096 119.600 -0.018 0.000 2.296 563 M HA -0.143 4.338 4.480 0.001 0.000 0.265 563 M C 2.242 178.675 176.300 0.221 0.000 1.064 563 M CA 1.303 56.598 55.300 -0.010 0.000 1.109 563 M CB -1.324 30.991 32.600 -0.475 0.000 1.396 563 M HN 0.270 nan 8.290 nan 0.000 0.430 564 Q N 0.443 120.369 119.800 0.209 0.000 2.079 564 Q HA -0.079 4.261 4.340 0.001 0.000 0.200 564 Q C 1.796 178.069 176.000 0.455 0.000 0.974 564 Q CA 2.180 58.194 55.803 0.352 0.000 0.840 564 Q CB -0.328 28.564 28.738 0.257 0.000 0.898 564 Q HN 0.451 nan 8.270 nan 0.000 0.430 565 T N 0.457 115.168 114.554 0.261 0.000 2.746 565 T HA -0.129 4.221 4.350 0.001 0.000 0.267 565 T C 1.737 176.581 174.700 0.241 0.000 1.039 565 T CA 1.318 63.548 62.100 0.216 0.000 1.142 565 T CB -0.654 68.276 68.868 0.103 0.000 0.866 565 T HN 0.483 nan 8.240 nan 0.000 0.444 566 A N 1.395 124.353 122.820 0.229 0.000 1.892 566 A HA -0.118 4.203 4.320 0.001 0.000 0.218 566 A C 2.017 179.743 177.584 0.236 0.000 1.188 566 A CA 1.829 53.992 52.037 0.210 0.000 0.631 566 A CB -1.072 18.076 19.000 0.248 0.000 0.822 566 A HN 0.518 nan 8.150 nan 0.000 0.447 567 F N -0.462 119.603 119.950 0.193 0.000 2.069 567 F HA -0.162 4.366 4.527 0.001 0.000 0.298 567 F C 1.932 177.610 175.800 -0.203 0.000 1.113 567 F CA 1.843 59.777 58.000 -0.110 0.000 1.214 567 F CB -0.599 38.456 39.000 0.091 0.000 0.978 567 F HN 0.190 nan 8.300 nan 0.000 0.474 568 F N 0.904 120.712 119.950 -0.238 0.000 2.161 568 F HA -0.159 4.369 4.527 0.001 0.000 0.300 568 F C 2.593 178.223 175.800 -0.283 0.000 1.089 568 F CA 2.047 59.833 58.000 -0.356 0.000 1.282 568 F CB -0.548 38.399 39.000 -0.087 0.000 1.010 568 F HN -0.012 nan 8.300 nan 0.000 0.485 569 K N -0.518 119.904 120.400 0.036 0.000 2.186 569 K HA -0.058 4.263 4.320 0.001 0.000 0.202 569 K C 1.433 178.014 176.600 -0.031 0.000 1.052 569 K CA 0.848 57.182 56.287 0.078 0.000 0.965 569 K CB 0.139 32.733 32.500 0.155 0.000 0.746 569 K HN 0.159 nan 8.250 nan 0.000 0.457 570 L N -0.119 121.022 121.223 -0.138 0.000 2.575 570 L HA 0.276 4.617 4.340 0.001 0.000 0.228 570 L C 2.002 178.778 176.870 -0.157 0.000 1.075 570 L CA 0.789 55.551 54.840 -0.130 0.000 0.867 570 L CB -0.285 41.691 42.059 -0.137 0.000 1.097 570 L HN 0.070 nan 8.230 nan 0.000 0.485 571 A N -0.066 122.443 122.820 -0.520 0.000 2.125 571 A HA 0.172 4.492 4.320 0.001 0.000 0.219 571 A C 1.852 179.259 177.584 -0.296 0.000 1.156 571 A CA 1.196 52.874 52.037 -0.599 0.000 0.671 571 A CB -0.825 17.477 19.000 -1.164 0.000 0.794 571 A HN 0.572 nan 8.150 nan 0.000 0.459 572 G N -1.716 106.925 108.800 -0.266 0.000 2.153 572 G HA2 -0.275 3.686 3.960 0.001 0.000 0.252 572 G HA3 -0.275 3.686 3.960 0.001 0.000 0.252 572 G C 1.050 175.845 174.900 -0.175 0.000 0.994 572 G CA 1.017 46.030 45.100 -0.144 0.000 0.698 572 G HN 1.615 nan 8.290 nan 0.000 0.521 573 V N -2.945 116.769 119.914 -0.334 0.000 2.878 573 V HA 0.628 4.748 4.120 0.001 0.000 0.250 573 V C 1.161 177.110 176.094 -0.242 0.000 1.075 573 V CA 1.251 63.361 62.300 -0.317 0.000 1.096 573 V CB -0.049 31.417 31.823 -0.595 0.000 0.724 573 V HN 0.409 nan 8.190 nan 0.000 0.467 574 L N 0.032 121.110 121.223 -0.242 0.000 2.333 574 L HA 0.640 4.980 4.340 0.001 0.000 0.263 574 L C -2.628 174.204 176.870 -0.063 0.000 1.014 574 L CA -2.037 52.725 54.840 -0.129 0.000 0.820 574 L CB 2.082 44.077 42.059 -0.108 0.000 1.352 574 L HN -0.042 nan 8.230 nan 0.000 0.421 575 P HA 0.112 nan 4.420 nan 0.000 0.275 575 P C 0.310 177.639 177.300 0.049 0.000 1.228 575 P CA -0.303 62.815 63.100 0.030 0.000 0.786 575 P CB 0.541 32.256 31.700 0.026 0.000 0.927 576 F N 2.626 122.563 119.950 -0.021 0.000 2.063 576 F HA -0.299 4.229 4.527 0.001 0.000 0.298 576 F C 1.906 177.703 175.800 -0.005 0.000 1.109 576 F CA 1.896 59.889 58.000 -0.012 0.000 1.212 576 F CB -0.149 38.846 39.000 -0.008 0.000 0.973 576 F HN 0.412 nan 8.300 nan 0.000 0.480 577 E N 0.005 120.139 120.200 -0.110 0.000 2.085 577 E HA -0.294 4.056 4.350 0.001 0.000 0.194 577 E C 2.200 178.670 176.600 -0.215 0.000 0.994 577 E CA 1.598 57.873 56.400 -0.209 0.000 0.801 577 E CB -0.279 29.420 29.700 -0.003 0.000 0.743 577 E HN 0.444 nan 8.360 nan 0.000 0.453 578 K N 0.672 121.000 120.400 -0.120 0.000 2.057 578 K HA -0.113 4.208 4.320 0.001 0.000 0.206 578 K C 2.132 178.671 176.600 -0.101 0.000 1.050 578 K CA 1.029 57.263 56.287 -0.088 0.000 0.935 578 K CB -0.073 32.403 32.500 -0.040 0.000 0.715 578 K HN 0.075 nan 8.250 nan 0.000 0.439 579 A N 0.771 123.528 122.820 -0.105 0.000 1.865 579 A HA -0.147 4.174 4.320 0.001 0.000 0.217 579 A C 2.242 179.719 177.584 -0.178 0.000 1.191 579 A CA 1.955 53.986 52.037 -0.011 0.000 0.623 579 A CB -0.879 18.136 19.000 0.024 0.000 0.826 579 A HN 0.169 nan 8.150 nan 0.000 0.444 580 V N 0.619 120.320 119.914 -0.356 0.000 2.407 580 V HA -0.256 3.864 4.120 0.001 0.000 0.248 580 V C 2.368 178.304 176.094 -0.265 0.000 1.055 580 V CA 2.438 64.520 62.300 -0.363 0.000 1.049 580 V CB -0.924 30.589 31.823 -0.517 0.000 0.662 580 V HN 0.692 nan 8.190 nan 0.000 0.455 581 D N 0.183 120.448 120.400 -0.226 0.000 2.087 581 D HA -0.172 4.468 4.640 0.001 0.000 0.192 581 D C 1.916 178.129 176.300 -0.145 0.000 0.993 581 D CA 1.460 55.365 54.000 -0.158 0.000 0.828 581 D CB -0.203 40.523 40.800 -0.123 0.000 0.968 581 D HN 0.199 nan 8.370 nan 0.000 0.448 582 L N 0.556 121.696 121.223 -0.137 0.000 2.079 582 L HA -0.095 4.246 4.340 0.001 0.000 0.210 582 L C 2.565 179.305 176.870 -0.217 0.000 1.081 582 L CA 1.087 55.856 54.840 -0.119 0.000 0.752 582 L CB -1.015 41.025 42.059 -0.032 0.000 0.896 582 L HN 0.255 nan 8.230 nan 0.000 0.433 583 L N -0.763 120.219 121.223 -0.400 0.000 1.994 583 L HA -0.286 4.055 4.340 0.001 0.000 0.208 583 L C 2.582 179.321 176.870 -0.218 0.000 1.071 583 L CA 1.576 56.111 54.840 -0.509 0.000 0.745 583 L CB -0.218 41.456 42.059 -0.642 0.000 0.892 583 L HN 0.286 nan 8.230 nan 0.000 0.431 584 K N -0.396 119.918 120.400 -0.143 0.000 2.097 584 K HA -0.204 4.117 4.320 0.001 0.000 0.206 584 K C 2.086 178.745 176.600 0.099 0.000 1.049 584 K CA 1.256 57.540 56.287 -0.006 0.000 0.933 584 K CB -0.021 32.473 32.500 -0.010 0.000 0.717 584 K HN 0.295 nan 8.250 nan 0.000 0.442 585 K N 0.647 121.041 120.400 -0.010 0.000 2.026 585 K HA -0.141 4.180 4.320 0.001 0.000 0.208 585 K C 2.415 179.051 176.600 0.060 0.000 1.048 585 K CA 1.870 58.155 56.287 -0.003 0.000 0.929 585 K CB -0.173 32.297 32.500 -0.050 0.000 0.713 585 K HN 0.174 nan 8.250 nan 0.000 0.439 586 S N 1.258 116.967 115.700 0.016 0.000 2.383 586 S HA -0.158 4.313 4.470 0.001 0.000 0.229 586 S C 2.030 176.677 174.600 0.079 0.000 1.030 586 S CA 1.078 59.295 58.200 0.027 0.000 1.002 586 S CB -0.637 62.559 63.200 -0.006 0.000 0.829 586 S HN 0.217 nan 8.310 nan 0.000 0.467 587 I N 1.321 121.954 120.570 0.106 0.000 2.208 587 I HA -0.204 3.967 4.170 0.001 0.000 0.245 587 I C 2.637 178.825 176.117 0.119 0.000 1.097 587 I CA 1.844 63.237 61.300 0.156 0.000 1.363 587 I CB -0.507 37.514 38.000 0.034 0.000 1.051 587 I HN 0.352 nan 8.210 nan 0.000 0.413 588 H N 0.229 119.327 119.070 0.046 0.000 2.363 588 H HA -0.108 4.449 4.556 0.001 0.000 0.301 588 H C 2.217 177.563 175.328 0.029 0.000 1.074 588 H CA 1.274 57.342 56.048 0.034 0.000 1.354 588 H CB -0.076 29.687 29.762 0.001 0.000 1.397 588 H HN 0.151 nan 8.280 nan 0.000 0.516 589 K N 0.647 121.127 120.400 0.134 0.000 2.009 589 K HA -0.068 4.252 4.320 0.001 0.000 0.210 589 K C 1.156 177.766 176.600 0.017 0.000 1.049 589 K CA 1.027 57.347 56.287 0.055 0.000 0.929 589 K CB -0.107 32.410 32.500 0.028 0.000 0.714 589 K HN 0.254 nan 8.250 nan 0.000 0.440 590 A N -0.305 122.513 122.820 -0.003 0.000 2.275 590 A HA 0.346 4.666 4.320 0.001 0.000 0.282 590 A C -0.423 177.136 177.584 -0.041 0.000 1.275 590 A CA -0.261 51.705 52.037 -0.119 0.000 0.842 590 A CB -0.261 18.585 19.000 -0.257 0.000 1.280 590 A HN 0.383 nan 8.150 nan 0.000 0.508 591 Y N -2.165 118.107 120.300 -0.046 0.000 3.188 591 Y HA -0.182 4.368 4.550 0.001 0.000 0.372 591 Y C 1.781 177.643 175.900 -0.062 0.000 1.057 591 Y CA 1.572 59.636 58.100 -0.061 0.000 1.371 591 Y CB -1.417 36.990 38.460 -0.087 0.000 0.965 591 Y HN 2.216 nan 8.280 nan 0.000 0.588 592 G N -0.465 108.415 108.800 0.132 0.000 2.233 592 G HA2 -0.371 3.590 3.960 0.001 0.000 0.270 592 G HA3 -0.371 3.590 3.960 0.001 0.000 0.270 592 G C 0.642 175.558 174.900 0.026 0.000 1.011 592 G CA 1.211 46.334 45.100 0.038 0.000 0.762 592 G HN 0.906 nan 8.290 nan 0.000 0.511 593 K N -0.578 119.839 120.400 0.028 0.000 2.361 593 K HA 0.376 4.696 4.320 0.001 0.000 0.196 593 K C 1.729 178.330 176.600 0.001 0.000 1.039 593 K CA 1.256 57.545 56.287 0.003 0.000 1.001 593 K CB 0.127 32.619 32.500 -0.014 0.000 0.795 593 K HN 0.241 nan 8.250 nan 0.000 0.495 594 K N -0.066 120.340 120.400 0.010 0.000 2.464 594 K HA 0.334 4.655 4.320 0.001 0.000 0.206 594 K C -0.196 176.404 176.600 -0.001 0.000 1.186 594 K CA 0.372 56.660 56.287 0.002 0.000 0.990 594 K CB 1.480 33.983 32.500 0.005 0.000 1.003 594 K HN 0.280 nan 8.250 nan 0.000 0.562 595 G N -0.481 108.319 108.800 0.000 0.000 2.328 595 G HA2 0.119 4.079 3.960 0.001 0.000 0.295 595 G HA3 0.119 4.079 3.960 0.001 0.000 0.295 595 G C -0.920 173.969 174.900 -0.019 0.000 1.413 595 G CA -0.540 44.555 45.100 -0.009 0.000 0.817 595 G HN -0.098 nan 8.290 nan 0.000 0.546 596 E N -0.358 119.827 120.200 -0.025 0.000 2.474 596 E HA 0.040 4.391 4.350 0.001 0.000 0.194 596 E C 1.950 178.513 176.600 -0.061 0.000 1.041 596 E CA 0.099 56.473 56.400 -0.043 0.000 0.874 596 E CB 0.602 30.288 29.700 -0.023 0.000 0.914 596 E HN 0.579 nan 8.360 nan 0.000 0.498 597 K N 0.934 121.303 120.400 -0.050 0.000 2.057 597 K HA -0.072 4.248 4.320 0.001 0.000 0.206 597 K C 1.882 178.430 176.600 -0.086 0.000 1.050 597 K CA 0.722 56.974 56.287 -0.057 0.000 0.935 597 K CB 0.136 32.611 32.500 -0.042 0.000 0.715 597 K HN -0.029 nan 8.250 nan 0.000 0.439 598 I N 1.247 121.764 120.570 -0.089 0.000 2.226 598 I HA -0.220 3.950 4.170 0.001 0.000 0.245 598 I C 2.363 178.342 176.117 -0.230 0.000 1.100 598 I CA 0.987 62.205 61.300 -0.136 0.000 1.374 598 I CB -0.957 36.994 38.000 -0.081 0.000 1.057 598 I HN 0.014 nan 8.210 nan 0.000 0.413 599 V N 1.250 121.044 119.914 -0.201 0.000 2.332 599 V HA -0.292 3.829 4.120 0.001 0.000 0.248 599 V C 2.610 178.549 176.094 -0.258 0.000 1.055 599 V CA 1.971 64.103 62.300 -0.279 0.000 1.038 599 V CB -0.759 30.887 31.823 -0.295 0.000 0.651 599 V HN 0.314 nan 8.190 nan 0.000 0.450 600 K N 0.048 120.344 120.400 -0.172 0.000 2.097 600 K HA -0.092 4.228 4.320 0.001 0.000 0.206 600 K C 2.032 178.558 176.600 -0.123 0.000 1.049 600 K CA 1.715 57.929 56.287 -0.121 0.000 0.933 600 K CB -0.406 32.048 32.500 -0.076 0.000 0.717 600 K HN 0.406 nan 8.250 nan 0.000 0.442 601 M N -0.007 119.508 119.600 -0.142 0.000 2.117 601 M HA -0.153 4.327 4.480 0.001 0.000 0.262 601 M C 1.524 177.728 176.300 -0.161 0.000 1.065 601 M CA 1.936 57.156 55.300 -0.134 0.000 1.114 601 M CB -0.411 32.108 32.600 -0.135 0.000 1.361 601 M HN 0.179 nan 8.290 nan 0.000 0.408 602 N N -0.615 117.940 118.700 -0.243 0.000 2.331 602 N HA -0.085 4.656 4.740 0.001 0.000 0.180 602 N C 1.526 176.937 175.510 -0.165 0.000 1.019 602 N CA 1.351 54.247 53.050 -0.258 0.000 0.881 602 N CB -0.077 38.131 38.487 -0.465 0.000 0.972 602 N HN 0.208 nan 8.380 nan 0.000 0.435 603 T N 0.384 114.849 114.554 -0.148 0.000 2.812 603 T HA -0.073 4.278 4.350 0.001 0.000 0.264 603 T C 0.938 175.603 174.700 -0.058 0.000 1.042 603 T CA 1.006 63.056 62.100 -0.084 0.000 1.140 603 T CB -0.208 68.626 68.868 -0.057 0.000 0.870 603 T HN 0.185 nan 8.240 nan 0.000 0.445 604 D N 1.316 121.678 120.400 -0.064 0.000 2.144 604 D HA 0.011 4.652 4.640 0.001 0.000 0.199 604 D C 2.280 178.556 176.300 -0.040 0.000 0.984 604 D CA 1.061 55.034 54.000 -0.044 0.000 0.834 604 D CB -0.399 40.373 40.800 -0.047 0.000 0.955 604 D HN 0.383 nan 8.370 nan 0.000 0.465 605 A N 0.600 123.386 122.820 -0.057 0.000 1.877 605 A HA -0.154 4.167 4.320 0.001 0.000 0.216 605 A C 2.541 180.109 177.584 -0.027 0.000 1.186 605 A CA 1.339 53.348 52.037 -0.047 0.000 0.620 605 A CB -0.819 18.142 19.000 -0.066 0.000 0.822 605 A HN 0.142 nan 8.150 nan 0.000 0.443 606 V N 0.672 120.566 119.914 -0.034 0.000 2.287 606 V HA -0.274 3.847 4.120 0.001 0.000 0.248 606 V C 2.261 178.357 176.094 0.004 0.000 1.053 606 V CA 2.406 64.695 62.300 -0.019 0.000 1.027 606 V CB -0.886 30.910 31.823 -0.045 0.000 0.646 606 V HN 0.506 nan 8.190 nan 0.000 0.447 607 D N -0.554 119.845 120.400 -0.001 0.000 2.104 607 D HA -0.224 4.417 4.640 0.001 0.000 0.194 607 D C 2.189 178.504 176.300 0.026 0.000 0.994 607 D CA 1.784 55.795 54.000 0.018 0.000 0.830 607 D CB -0.270 40.535 40.800 0.008 0.000 0.959 607 D HN 0.518 nan 8.370 nan 0.000 0.452 608 Q N 0.554 120.360 119.800 0.011 0.000 2.084 608 Q HA -0.072 4.269 4.340 0.001 0.000 0.202 608 Q C 1.928 177.941 176.000 0.022 0.000 0.978 608 Q CA 1.928 57.738 55.803 0.011 0.000 0.844 608 Q CB -0.295 28.441 28.738 -0.002 0.000 0.898 608 Q HN 0.198 nan 8.270 nan 0.000 0.426 609 A N -0.446 122.388 122.820 0.023 0.000 1.877 609 A HA -0.153 4.168 4.320 0.001 0.000 0.216 609 A C 2.278 179.897 177.584 0.059 0.000 1.186 609 A CA 1.712 53.770 52.037 0.036 0.000 0.620 609 A CB -0.959 18.063 19.000 0.037 0.000 0.822 609 A HN 0.294 nan 8.150 nan 0.000 0.443 610 V N -0.242 119.718 119.914 0.077 0.000 2.343 610 V HA -0.235 3.886 4.120 0.001 0.000 0.247 610 V C 2.753 178.900 176.094 0.088 0.000 1.051 610 V CA 2.488 64.859 62.300 0.119 0.000 1.036 610 V CB -1.248 30.685 31.823 0.183 0.000 0.654 610 V HN 0.622 nan 8.190 nan 0.000 0.451 611 T N -0.323 114.270 114.554 0.064 0.000 2.746 611 T HA -0.165 4.186 4.350 0.001 0.000 0.267 611 T C 2.016 176.739 174.700 0.038 0.000 1.039 611 T CA 1.945 64.070 62.100 0.042 0.000 1.142 611 T CB -0.221 68.664 68.868 0.029 0.000 0.866 611 T HN 0.499 nan 8.240 nan 0.000 0.444 612 S N 0.629 116.354 115.700 0.041 0.000 2.496 612 S HA 0.171 4.642 4.470 0.001 0.000 0.224 612 S C 0.568 175.211 174.600 0.070 0.000 0.996 612 S CA 0.033 58.257 58.200 0.041 0.000 0.927 612 S CB -0.102 63.115 63.200 0.028 0.000 0.774 612 S HN 0.161 nan 8.310 nan 0.000 0.524 613 L N 3.773 125.051 121.223 0.092 0.000 2.451 613 L HA 0.272 4.612 4.340 0.001 0.000 0.272 613 L C -0.016 177.012 176.870 0.263 0.000 1.258 613 L CA 0.801 55.734 54.840 0.154 0.000 1.132 613 L CB -1.186 40.920 42.059 0.078 0.000 1.361 613 L HN 0.211 nan 8.230 nan 0.000 0.438 614 Q N 1.603 121.555 119.800 0.254 0.000 2.387 614 Q HA 0.371 4.712 4.340 0.001 0.000 0.273 614 Q C -0.202 175.762 176.000 -0.061 0.000 1.089 614 Q CA -0.723 55.169 55.803 0.149 0.000 0.824 614 Q CB 2.013 30.766 28.738 0.025 0.000 1.367 614 Q HN 0.403 nan 8.270 nan 0.000 0.443 615 E N 1.071 121.058 120.200 -0.354 0.000 2.442 615 E HA -0.003 4.347 4.350 0.001 0.000 0.262 615 E C -0.749 175.676 176.600 -0.292 0.000 1.004 615 E CA 0.260 56.273 56.400 -0.644 0.000 0.928 615 E CB 0.477 29.895 29.700 -0.471 0.000 0.937 615 E HN 0.328 nan 8.360 nan 0.000 0.446 616 F N 3.782 123.506 119.950 -0.377 0.000 2.421 616 F HA 0.117 4.645 4.527 0.001 0.000 0.358 616 F C 0.067 175.807 175.800 -0.100 0.000 1.115 616 F CA -0.864 57.012 58.000 -0.207 0.000 1.160 616 F CB 0.480 39.289 39.000 -0.317 0.000 1.123 616 F HN 0.047 nan 8.300 nan 0.000 0.508 617 K N 8.217 128.369 120.400 -0.413 0.000 2.262 617 K HA 0.071 4.392 4.320 0.001 0.000 0.288 617 K C -0.962 175.404 176.600 -0.390 0.000 1.090 617 K CA -0.124 55.926 56.287 -0.396 0.000 0.918 617 K CB -0.188 32.087 32.500 -0.375 0.000 1.139 617 K HN 0.623 nan 8.250 nan 0.000 0.462 618 Y N 1.515 121.691 120.300 -0.206 0.000 2.320 618 Y HA 0.565 5.115 4.550 0.001 0.000 0.324 618 Y C -2.039 173.560 175.900 -0.502 0.000 1.190 618 Y CA -3.149 54.609 58.100 -0.570 0.000 1.215 618 Y CB -0.233 37.645 38.460 -0.970 0.000 1.221 618 Y HN 0.374 nan 8.280 nan 0.000 0.486 619 P HA 0.070 nan 4.420 nan 0.000 0.277 619 P C -0.363 176.932 177.300 -0.008 0.000 1.240 619 P CA -0.124 62.862 63.100 -0.190 0.000 0.798 619 P CB 1.626 33.253 31.700 -0.121 0.000 0.979 620 D N 0.899 121.319 120.400 0.033 0.000 2.218 620 D HA -0.164 4.477 4.640 0.001 0.000 0.204 620 D C 1.744 178.138 176.300 0.156 0.000 0.976 620 D CA 1.700 55.763 54.000 0.105 0.000 0.853 620 D CB -0.106 40.728 40.800 0.055 0.000 0.939 620 D HN 0.350 nan 8.370 nan 0.000 0.481 621 S N -0.917 114.874 115.700 0.151 0.000 2.440 621 S HA -0.180 4.290 4.470 0.001 0.000 0.238 621 S C 1.713 176.493 174.600 0.301 0.000 1.010 621 S CA 0.416 58.728 58.200 0.188 0.000 0.972 621 S CB -0.830 62.471 63.200 0.168 0.000 0.774 621 S HN 0.380 nan 8.310 nan 0.000 0.501 622 W N 2.627 123.975 121.300 0.079 0.000 2.364 622 W HA 0.106 4.767 4.660 0.001 0.000 0.281 622 W C 2.156 178.673 176.519 -0.004 0.000 1.219 622 W CA 0.087 57.453 57.345 0.034 0.000 1.220 622 W CB -0.559 28.921 29.460 0.033 0.000 1.127 622 W HN 0.364 nan 8.180 nan 0.000 0.556 623 K N -0.266 120.278 120.400 0.240 0.000 2.218 623 K HA -0.197 4.123 4.320 0.001 0.000 0.205 623 K C 0.288 176.928 176.600 0.066 0.000 1.046 623 K CA 1.749 58.110 56.287 0.124 0.000 0.933 623 K CB -0.400 32.167 32.500 0.110 0.000 0.728 623 K HN 0.276 nan 8.250 nan 0.000 0.454 624 D N -1.360 119.082 120.400 0.071 0.000 2.819 624 D HA 0.198 4.839 4.640 0.001 0.000 0.326 624 D C -0.596 175.712 176.300 0.013 0.000 1.408 624 D CA -0.513 53.505 54.000 0.030 0.000 0.811 624 D CB 0.390 41.209 40.800 0.033 0.000 1.148 624 D HN 0.027 nan 8.370 nan 0.000 0.457 625 A N 2.101 124.916 122.820 -0.009 0.000 2.540 625 A HA 0.380 4.701 4.320 0.001 0.000 0.239 625 A C -1.760 175.781 177.584 -0.072 0.000 1.061 625 A CA -0.823 51.178 52.037 -0.060 0.000 0.758 625 A CB -0.099 18.787 19.000 -0.191 0.000 0.991 625 A HN 0.293 nan 8.150 nan 0.000 0.502 626 P HA 0.232 nan 4.420 nan 0.000 0.268 626 P C -0.266 176.985 177.300 -0.082 0.000 1.204 626 P CA 0.237 63.301 63.100 -0.059 0.000 0.768 626 P CB 0.729 32.401 31.700 -0.046 0.000 0.842 627 A N 3.511 126.288 122.820 -0.072 0.000 2.409 627 A HA 0.255 4.576 4.320 0.001 0.000 0.262 627 A C 0.801 178.340 177.584 -0.075 0.000 1.113 627 A CA -0.574 51.415 52.037 -0.080 0.000 0.790 627 A CB -0.171 18.788 19.000 -0.068 0.000 1.046 627 A HN 0.664 nan 8.150 nan 0.000 0.496 628 E N 2.009 122.157 120.200 -0.087 0.000 2.369 628 E HA 0.351 4.701 4.350 0.001 0.000 0.255 628 E C 0.632 177.193 176.600 -0.065 0.000 1.172 628 E CA -0.029 56.323 56.400 -0.079 0.000 0.932 628 E CB 0.294 29.938 29.700 -0.093 0.000 1.040 628 E HN 0.664 nan 8.360 nan 0.000 0.454 629 T N -0.755 113.765 114.554 -0.056 0.000 5.471 629 T HA 0.138 4.489 4.350 0.001 0.000 0.311 629 T C 0.086 174.759 174.700 -0.045 0.000 0.900 629 T CA 0.136 62.208 62.100 -0.046 0.000 1.367 629 T CB -0.153 68.692 68.868 -0.039 0.000 1.584 629 T HN 0.724 nan 8.240 nan 0.000 0.338 630 K N -0.203 120.174 120.400 -0.038 0.000 2.599 630 K HA 0.525 4.845 4.320 0.001 0.000 0.300 630 K C -0.729 175.857 176.600 -0.023 0.000 1.437 630 K CA -0.467 55.800 56.287 -0.033 0.000 0.989 630 K CB 0.048 32.529 32.500 -0.032 0.000 1.423 630 K HN 0.591 nan 8.250 nan 0.000 0.507 631 A N 2.671 125.478 122.820 -0.021 0.000 3.046 631 A HA 0.122 4.443 4.320 0.001 0.000 0.259 631 A C 0.083 177.665 177.584 -0.004 0.000 1.843 631 A CA -0.067 51.962 52.037 -0.013 0.000 1.451 631 A CB -0.799 18.192 19.000 -0.014 0.000 1.025 631 A HN 0.691 nan 8.150 nan 0.000 0.625 632 E N 1.699 121.897 120.200 -0.002 0.000 2.316 632 E HA 0.460 4.810 4.350 0.001 0.000 0.275 632 E C -2.025 174.584 176.600 0.014 0.000 1.029 632 E CA -1.602 54.804 56.400 0.011 0.000 0.871 632 E CB 0.077 29.783 29.700 0.009 0.000 1.022 632 E HN 0.403 nan 8.360 nan 0.000 0.418 633 P HA 0.070 nan 4.420 nan 0.000 0.274 633 P C -0.446 176.863 177.300 0.015 0.000 1.246 633 P CA -0.659 62.456 63.100 0.025 0.000 0.795 633 P CB 0.588 32.312 31.700 0.039 0.000 1.006 634 M N 1.132 120.741 119.600 0.015 0.000 2.200 634 M HA 0.204 4.685 4.480 0.001 0.000 0.355 634 M C 0.129 176.398 176.300 -0.052 0.000 1.283 634 M CA 0.702 55.997 55.300 -0.008 0.000 1.124 634 M CB 0.017 32.624 32.600 0.012 0.000 1.625 634 M HN 0.604 nan 8.290 nan 0.000 0.463 635 T N 3.783 118.228 114.554 -0.182 0.000 2.778 635 T HA 0.385 4.735 4.350 0.001 0.000 0.293 635 T C -0.254 174.123 174.700 -0.538 0.000 1.144 635 T CA -0.723 61.009 62.100 -0.615 0.000 1.010 635 T CB 1.224 69.694 68.868 -0.662 0.000 1.325 635 T HN 0.705 nan 8.240 nan 0.000 0.515 636 N N 1.690 119.849 118.700 -0.902 0.000 2.381 636 N HA 0.022 4.763 4.740 0.001 0.000 0.241 636 N C 1.438 176.905 175.510 -0.071 0.000 1.279 636 N CA 0.153 53.034 53.050 -0.282 0.000 0.896 636 N CB 1.015 39.458 38.487 -0.074 0.000 1.118 636 N HN 0.765 nan 8.380 nan 0.000 0.438 637 E N 2.301 122.513 120.200 0.019 0.000 2.072 637 E HA -0.206 4.144 4.350 0.001 0.000 0.191 637 E C 1.708 178.345 176.600 0.061 0.000 0.985 637 E CA 1.212 57.628 56.400 0.027 0.000 0.801 637 E CB -0.737 28.986 29.700 0.038 0.000 0.750 637 E HN 0.659 nan 8.360 nan 0.000 0.452 638 F N 0.889 120.830 119.950 -0.013 0.000 2.171 638 F HA -0.076 4.451 4.527 0.001 0.000 0.300 638 F C 2.167 177.980 175.800 0.021 0.000 1.090 638 F CA 1.230 59.227 58.000 -0.006 0.000 1.293 638 F CB -0.345 38.675 39.000 0.034 0.000 1.013 638 F HN 0.009 nan 8.300 nan 0.000 0.486 639 F N 1.236 121.193 119.950 0.012 0.000 2.171 639 F HA -0.150 4.378 4.527 0.001 0.000 0.300 639 F C 2.198 177.908 175.800 -0.149 0.000 1.090 639 F CA 1.797 59.756 58.000 -0.068 0.000 1.293 639 F CB -0.432 38.450 39.000 -0.197 0.000 1.013 639 F HN -0.150 nan 8.300 nan 0.000 0.486 640 K N -0.262 120.090 120.400 -0.079 0.000 2.025 640 K HA -0.112 4.208 4.320 0.001 0.000 0.207 640 K C 1.542 178.011 176.600 -0.218 0.000 1.049 640 K CA 1.464 57.670 56.287 -0.135 0.000 0.933 640 K CB -0.261 32.202 32.500 -0.063 0.000 0.714 640 K HN 0.235 nan 8.250 nan 0.000 0.438 641 N N -0.077 118.479 118.700 -0.239 0.000 2.424 641 N HA -0.032 4.709 4.740 0.001 0.000 0.178 641 N C 1.418 176.694 175.510 -0.390 0.000 1.060 641 N CA 0.692 53.580 53.050 -0.270 0.000 0.901 641 N CB 0.606 38.961 38.487 -0.221 0.000 0.979 641 N HN -0.009 nan 8.380 nan 0.000 0.451 642 V N -0.790 118.785 119.914 -0.565 0.000 3.161 642 V HA 0.078 4.199 4.120 0.001 0.000 0.221 642 V C 1.940 177.774 176.094 -0.434 0.000 1.296 642 V CA 0.275 62.204 62.300 -0.617 0.000 1.306 642 V CB -0.225 30.945 31.823 -1.088 0.000 1.171 642 V HN 0.020 nan 8.190 nan 0.000 0.513 643 V N 0.683 120.308 119.914 -0.482 0.000 2.358 643 V HA -0.189 3.931 4.120 0.001 0.000 0.246 643 V C 2.305 178.152 176.094 -0.413 0.000 1.047 643 V CA 2.931 65.069 62.300 -0.270 0.000 1.035 643 V CB -0.321 31.478 31.823 -0.041 0.000 0.658 643 V HN 0.582 nan 8.190 nan 0.000 0.452 644 K N 0.242 120.185 120.400 -0.761 0.000 2.032 644 K HA -0.112 4.209 4.320 0.001 0.000 0.209 644 K C 0.035 176.484 176.600 -0.252 0.000 1.048 644 K CA 2.019 57.956 56.287 -0.584 0.000 0.927 644 K CB -1.155 30.989 32.500 -0.594 0.000 0.712 644 K HN 0.465 nan 8.250 nan 0.000 0.441 645 P HA -0.151 nan 4.420 nan 0.000 0.216 645 P C 1.109 178.382 177.300 -0.044 0.000 1.150 645 P CA 1.301 64.333 63.100 -0.113 0.000 0.837 645 P CB 0.050 31.673 31.700 -0.128 0.000 0.786 646 I N -1.488 119.057 120.570 -0.042 0.000 2.252 646 I HA -0.201 3.969 4.170 0.001 0.000 0.245 646 I C 2.161 178.313 176.117 0.057 0.000 1.102 646 I CA 1.272 62.593 61.300 0.036 0.000 1.385 646 I CB -0.583 37.468 38.000 0.085 0.000 1.064 646 I HN -0.105 nan 8.210 nan 0.000 0.414 647 L N 0.326 121.571 121.223 0.035 0.000 2.275 647 L HA -0.137 4.204 4.340 0.001 0.000 0.215 647 L C 2.168 179.142 176.870 0.174 0.000 1.119 647 L CA 1.488 56.388 54.840 0.100 0.000 0.790 647 L CB -0.769 41.339 42.059 0.081 0.000 0.919 647 L HN 0.420 nan 8.230 nan 0.000 0.443 648 T N -4.126 110.497 114.554 0.114 0.000 3.235 648 T HA 0.067 4.417 4.350 0.001 0.000 0.251 648 T C 0.657 175.505 174.700 0.246 0.000 1.060 648 T CA -0.365 61.839 62.100 0.173 0.000 0.949 648 T CB 0.257 69.141 68.868 0.027 0.000 1.020 648 T HN 0.260 nan 8.240 nan 0.000 0.564 649 Q N 0.180 120.095 119.800 0.192 0.000 2.494 649 Q HA -0.153 4.188 4.340 0.001 0.000 0.266 649 Q C 0.010 176.067 176.000 0.096 0.000 1.053 649 Q CA 0.805 56.688 55.803 0.133 0.000 1.029 649 Q CB -2.144 26.693 28.738 0.164 0.000 1.423 649 Q HN 0.647 nan 8.270 nan 0.000 0.516 650 Q N -1.538 118.304 119.800 0.071 0.000 2.175 650 Q HA 0.280 4.621 4.340 0.001 0.000 0.225 650 Q C 1.594 177.618 176.000 0.041 0.000 0.837 650 Q CA 0.676 56.507 55.803 0.046 0.000 1.032 650 Q CB 0.714 29.466 28.738 0.024 0.000 1.137 650 Q HN 0.433 nan 8.270 nan 0.000 0.483 651 G N 1.297 110.130 108.800 0.055 0.000 2.422 651 G HA2 -0.230 3.731 3.960 0.001 0.000 0.218 651 G HA3 -0.230 3.731 3.960 0.001 0.000 0.218 651 G C 1.063 176.023 174.900 0.100 0.000 1.146 651 G CA 0.486 45.638 45.100 0.088 0.000 0.769 651 G HN 0.270 nan 8.290 nan 0.000 0.547 652 D N 0.466 120.902 120.400 0.060 0.000 2.309 652 D HA -0.049 4.592 4.640 0.001 0.000 0.212 652 D C 2.210 178.546 176.300 0.061 0.000 0.968 652 D CA 0.743 54.775 54.000 0.053 0.000 0.882 652 D CB 0.034 40.852 40.800 0.029 0.000 0.918 652 D HN 0.358 nan 8.370 nan 0.000 0.503 653 K N -0.144 120.287 120.400 0.052 0.000 2.365 653 K HA 0.011 4.332 4.320 0.001 0.000 0.197 653 K C 0.283 176.906 176.600 0.038 0.000 1.042 653 K CA -0.262 56.047 56.287 0.035 0.000 0.987 653 K CB 0.441 32.950 32.500 0.015 0.000 0.779 653 K HN -0.037 nan 8.250 nan 0.000 0.484 654 L N 3.369 124.634 121.223 0.069 0.000 2.418 654 L HA 0.081 4.421 4.340 0.001 0.000 0.274 654 L C -1.826 175.126 176.870 0.136 0.000 1.135 654 L CA -1.910 52.962 54.840 0.053 0.000 0.870 654 L CB 0.001 42.102 42.059 0.070 0.000 1.154 654 L HN 0.027 nan 8.230 nan 0.000 0.462 655 P HA 0.086 nan 4.420 nan 0.000 0.274 655 P C 1.090 178.499 177.300 0.182 0.000 1.256 655 P CA -0.402 62.753 63.100 0.091 0.000 0.795 655 P CB 0.877 32.590 31.700 0.022 0.000 1.038 656 V N -1.292 118.726 119.914 0.174 0.000 2.469 656 V HA -0.210 3.911 4.120 0.001 0.000 0.251 656 V C 2.305 178.513 176.094 0.190 0.000 1.064 656 V CA 2.347 64.786 62.300 0.232 0.000 1.066 656 V CB -2.445 29.447 31.823 0.116 0.000 0.667 656 V HN 0.671 nan 8.190 nan 0.000 0.461 657 S N 1.514 117.252 115.700 0.063 0.000 2.500 657 S HA 0.099 4.570 4.470 0.001 0.000 0.239 657 S C 1.898 176.446 174.600 -0.088 0.000 0.989 657 S CA 1.041 59.242 58.200 0.002 0.000 0.951 657 S CB -0.541 62.648 63.200 -0.018 0.000 0.759 657 S HN 1.063 nan 8.310 nan 0.000 0.523 658 A N 0.206 122.885 122.820 -0.235 0.000 2.167 658 A HA 0.427 4.747 4.320 0.001 0.000 0.214 658 A C 0.302 177.447 177.584 -0.731 0.000 1.151 658 A CA 0.063 51.765 52.037 -0.559 0.000 0.735 658 A CB -0.396 18.104 19.000 -0.833 0.000 0.802 658 A HN 0.522 nan 8.150 nan 0.000 0.467 659 F N -0.258 119.684 119.950 -0.014 0.000 2.538 659 F HA 0.457 4.984 4.527 0.001 0.000 0.325 659 F C 0.277 176.080 175.800 0.005 0.000 1.066 659 F CA -1.235 56.762 58.000 -0.005 0.000 0.946 659 F CB 0.939 39.961 39.000 0.037 0.000 1.199 659 F HN -0.098 nan 8.300 nan 0.000 0.473 660 E N 0.769 121.086 120.200 0.195 0.000 2.360 660 E HA 0.191 4.541 4.350 0.001 0.000 0.269 660 E C 0.763 177.451 176.600 0.145 0.000 1.022 660 E CA 0.087 56.564 56.400 0.130 0.000 0.887 660 E CB 1.459 31.221 29.700 0.103 0.000 0.990 660 E HN 0.789 nan 8.360 nan 0.000 0.426 661 A N 3.651 126.529 122.820 0.096 0.000 1.978 661 A HA -0.226 4.094 4.320 0.001 0.000 0.220 661 A C 1.282 178.919 177.584 0.089 0.000 1.170 661 A CA 2.042 54.121 52.037 0.070 0.000 0.636 661 A CB -0.286 18.743 19.000 0.049 0.000 0.810 661 A HN 0.591 nan 8.150 nan 0.000 0.448 662 D N -2.544 117.927 120.400 0.120 0.000 2.328 662 D HA 0.312 4.953 4.640 0.001 0.000 0.221 662 D C 1.096 177.530 176.300 0.223 0.000 1.072 662 D CA 0.720 54.810 54.000 0.149 0.000 0.850 662 D CB -0.643 40.230 40.800 0.122 0.000 0.922 662 D HN 0.742 nan 8.370 nan 0.000 0.516 663 G N 1.290 110.256 108.800 0.276 0.000 2.162 663 G HA2 -0.374 3.586 3.960 0.001 0.000 0.260 663 G HA3 -0.374 3.586 3.960 0.001 0.000 0.260 663 G C 0.360 175.504 174.900 0.407 0.000 0.976 663 G CA 0.239 45.585 45.100 0.409 0.000 0.655 663 G HN 0.776 nan 8.290 nan 0.000 0.533 664 R N -1.156 119.521 120.500 0.296 0.000 2.641 664 R HA 0.656 4.997 4.340 0.001 0.000 0.269 664 R C -0.669 175.831 176.300 0.334 0.000 1.074 664 R CA -0.175 56.100 56.100 0.291 0.000 1.133 664 R CB 0.502 30.905 30.300 0.172 0.000 1.029 664 R HN 0.083 nan 8.270 nan 0.000 0.488 665 F N 0.917 120.930 119.950 0.106 0.000 2.593 665 F HA 0.523 5.051 4.527 0.001 0.000 0.320 665 F C -1.826 173.934 175.800 -0.066 0.000 1.060 665 F CA -2.389 55.644 58.000 0.055 0.000 0.940 665 F CB 1.927 41.011 39.000 0.142 0.000 1.268 665 F HN 0.601 nan 8.300 nan 0.000 0.475 666 P HA 0.381 nan 4.420 nan 0.000 0.278 666 P C -1.108 176.205 177.300 0.022 0.000 1.258 666 P CA -0.407 62.606 63.100 -0.145 0.000 0.811 666 P CB 1.320 32.763 31.700 -0.427 0.000 1.063 667 L N 0.234 121.479 121.223 0.036 0.000 2.466 667 L HA 0.399 4.739 4.340 0.001 0.000 0.257 667 L C 1.707 178.635 176.870 0.098 0.000 1.189 667 L CA 1.390 56.278 54.840 0.081 0.000 0.813 667 L CB -0.491 41.611 42.059 0.071 0.000 1.118 667 L HN 0.857 nan 8.230 nan 0.000 0.471 668 G N -0.220 108.640 108.800 0.099 0.000 2.179 668 G HA2 -0.340 3.620 3.960 0.001 0.000 0.257 668 G HA3 -0.340 3.620 3.960 0.001 0.000 0.257 668 G C 0.875 175.873 174.900 0.164 0.000 1.010 668 G CA 0.829 45.977 45.100 0.079 0.000 0.736 668 G HN 0.866 nan 8.290 nan 0.000 0.513 669 T N -1.937 112.789 114.554 0.286 0.000 3.035 669 T HA 0.060 4.411 4.350 0.001 0.000 0.268 669 T C 2.570 177.516 174.700 0.409 0.000 1.109 669 T CA 1.811 64.207 62.100 0.492 0.000 1.119 669 T CB -0.255 68.979 68.868 0.610 0.000 0.900 669 T HN 1.316 nan 8.240 nan 0.000 0.503 670 S N 1.051 116.899 115.700 0.248 0.000 2.481 670 S HA -0.090 4.380 4.470 0.001 0.000 0.231 670 S C 2.036 176.751 174.600 0.191 0.000 0.996 670 S CA 0.115 58.462 58.200 0.245 0.000 0.942 670 S CB -0.500 62.835 63.200 0.225 0.000 0.768 670 S HN 0.398 nan 8.310 nan 0.000 0.520 671 Q N 0.479 120.256 119.800 -0.038 0.000 2.234 671 Q HA -0.023 4.317 4.340 0.001 0.000 0.206 671 Q C 0.934 176.563 176.000 -0.618 0.000 0.980 671 Q CA 1.239 56.857 55.803 -0.309 0.000 0.869 671 Q CB -0.478 27.802 28.738 -0.762 0.000 0.912 671 Q HN 0.842 nan 8.270 nan 0.000 0.436 672 F N -0.426 119.384 119.950 -0.233 0.000 2.695 672 F HA 0.184 4.711 4.527 0.001 0.000 0.303 672 F C 1.854 177.432 175.800 -0.370 0.000 1.091 672 F CA -0.239 57.427 58.000 -0.557 0.000 1.300 672 F CB 0.269 38.420 39.000 -1.416 0.000 1.071 672 F HN 0.005 nan 8.300 nan 0.000 0.578 673 E N 0.752 120.979 120.200 0.045 0.000 2.072 673 E HA -0.118 4.233 4.350 0.001 0.000 0.191 673 E C 0.459 177.104 176.600 0.074 0.000 0.985 673 E CA 0.480 56.994 56.400 0.189 0.000 0.801 673 E CB -0.008 29.827 29.700 0.225 0.000 0.750 673 E HN -0.020 nan 8.360 nan 0.000 0.452 674 K N 0.944 121.304 120.400 -0.066 0.000 3.602 674 K HA -0.272 4.048 4.320 0.001 0.000 0.274 674 K C 0.510 177.095 176.600 -0.026 0.000 0.864 674 K CA 0.572 56.792 56.287 -0.111 0.000 0.682 674 K CB -1.110 31.331 32.500 -0.097 0.000 1.576 674 K HN 0.320 nan 8.250 nan 0.000 0.447 675 R N 0.161 120.660 120.500 -0.002 0.000 2.091 675 R HA -0.119 4.222 4.340 0.001 0.000 0.238 675 R C 1.396 177.717 176.300 0.035 0.000 1.136 675 R CA 1.066 57.194 56.100 0.048 0.000 0.959 675 R CB -0.125 30.216 30.300 0.067 0.000 0.856 675 R HN 0.647 nan 8.270 nan 0.000 0.437 676 G N 0.916 109.711 108.800 -0.008 0.000 2.350 676 G HA2 -0.216 3.744 3.960 0.001 0.000 0.298 676 G HA3 -0.216 3.744 3.960 0.001 0.000 0.298 676 G C 0.495 175.410 174.900 0.024 0.000 1.037 676 G CA 0.412 45.510 45.100 -0.002 0.000 1.074 676 G HN 0.364 nan 8.290 nan 0.000 0.511 677 V N -3.173 116.752 119.914 0.018 0.000 3.621 677 V HA 0.736 4.856 4.120 0.001 0.000 0.285 677 V C 1.462 177.565 176.094 0.015 0.000 1.346 677 V CA 0.654 62.977 62.300 0.038 0.000 1.104 677 V CB -0.090 31.770 31.823 0.061 0.000 0.913 677 V HN 1.621 nan 8.190 nan 0.000 0.432 678 A N 0.702 123.517 122.820 -0.008 0.000 2.407 678 A HA 0.572 4.893 4.320 0.001 0.000 0.248 678 A C 1.151 178.737 177.584 0.003 0.000 1.082 678 A CA -0.181 51.849 52.037 -0.013 0.000 0.785 678 A CB 0.274 19.258 19.000 -0.026 0.000 1.020 678 A HN 0.206 nan 8.150 nan 0.000 0.489 679 I N 0.644 121.217 120.570 0.005 0.000 2.385 679 I HA 0.013 4.183 4.170 0.001 0.000 0.244 679 I C 0.423 176.545 176.117 0.009 0.000 1.089 679 I CA 0.994 62.300 61.300 0.009 0.000 1.410 679 I CB -1.072 36.933 38.000 0.008 0.000 1.117 679 I HN 0.539 nan 8.210 nan 0.000 0.429 680 N N 0.847 119.551 118.700 0.007 0.000 2.269 680 N HA 0.510 5.251 4.740 0.001 0.000 0.304 680 N C -0.620 174.895 175.510 0.009 0.000 1.072 680 N CA -0.209 52.847 53.050 0.011 0.000 0.802 680 N CB 3.296 41.790 38.487 0.012 0.000 1.348 680 N HN -0.062 nan 8.380 nan 0.000 0.484 681 V N -1.261 118.662 119.914 0.014 0.000 3.102 681 V HA 0.772 4.893 4.120 0.001 0.000 0.312 681 V C -2.687 173.424 176.094 0.028 0.000 1.135 681 V CA -2.304 60.005 62.300 0.015 0.000 1.022 681 V CB 2.557 34.386 31.823 0.011 0.000 1.056 681 V HN 0.460 nan 8.190 nan 0.000 0.436 682 P HA 0.269 nan 4.420 nan 0.000 0.278 682 P C -1.380 175.963 177.300 0.073 0.000 1.238 682 P CA -0.109 63.024 63.100 0.054 0.000 0.794 682 P CB 1.156 32.892 31.700 0.059 0.000 0.955 683 Q N 2.417 122.270 119.800 0.089 0.000 2.333 683 Q HA 0.263 4.603 4.340 0.001 0.000 0.268 683 Q C -1.408 174.696 176.000 0.174 0.000 1.007 683 Q CA -0.812 55.056 55.803 0.109 0.000 0.810 683 Q CB 1.027 29.805 28.738 0.067 0.000 1.264 683 Q HN 0.404 nan 8.270 nan 0.000 0.452 684 W N 4.740 126.033 121.300 -0.011 0.000 2.238 684 W HA 0.354 5.015 4.660 0.001 0.000 0.321 684 W C -1.153 175.361 176.519 -0.008 0.000 1.293 684 W CA -0.318 57.020 57.345 -0.012 0.000 1.204 684 W CB 0.872 30.312 29.460 -0.033 0.000 1.167 684 W HN 0.380 nan 8.180 nan 0.000 0.553 685 V N 10.344 130.010 119.914 -0.413 0.000 2.266 685 V HA 0.121 4.242 4.120 0.001 0.000 0.266 685 V C -1.042 174.559 176.094 -0.822 0.000 1.036 685 V CA -1.270 60.752 62.300 -0.463 0.000 0.828 685 V CB 1.001 32.697 31.823 -0.211 0.000 1.081 685 V HN 0.546 nan 8.190 nan 0.000 0.449 686 P HA -0.225 nan 4.420 nan 0.000 0.217 686 P C 1.053 178.053 177.300 -0.500 0.000 1.151 686 P CA 1.514 63.836 63.100 -1.297 0.000 0.849 686 P CB 0.555 31.530 31.700 -1.209 0.000 0.787 687 E N -0.026 119.967 120.200 -0.346 0.000 2.267 687 E HA -0.149 4.201 4.350 0.001 0.000 0.197 687 E C 1.516 178.038 176.600 -0.129 0.000 0.998 687 E CA 1.261 57.553 56.400 -0.180 0.000 0.830 687 E CB -0.915 28.703 29.700 -0.138 0.000 0.751 687 E HN 0.556 nan 8.360 nan 0.000 0.491 688 N N -0.878 117.731 118.700 -0.152 0.000 2.220 688 N HA 0.080 4.821 4.740 0.001 0.000 0.195 688 N C -0.297 175.198 175.510 -0.026 0.000 1.123 688 N CA -0.361 52.643 53.050 -0.076 0.000 0.874 688 N CB 0.492 38.939 38.487 -0.067 0.000 0.995 688 N HN 0.046 nan 8.380 nan 0.000 0.498 689 C N 2.206 121.493 119.300 -0.021 0.000 2.648 689 C HA 0.187 4.648 4.460 0.001 0.000 0.415 689 C C 1.762 176.827 174.990 0.127 0.000 1.366 689 C CA -0.586 58.523 59.018 0.151 0.000 1.756 689 C CB -1.082 26.905 27.740 0.410 0.000 2.549 689 C HN 0.472 nan 8.230 nan 0.000 0.597 690 I N 2.238 122.867 120.570 0.099 0.000 3.875 690 I HA 0.222 4.393 4.170 0.001 0.000 0.329 690 I C 0.770 176.863 176.117 -0.041 0.000 1.295 690 I CA 0.033 61.347 61.300 0.024 0.000 1.129 690 I CB -0.663 37.338 38.000 0.003 0.000 1.008 690 I HN 0.853 nan 8.210 nan 0.000 0.413 691 Q N 0.822 120.612 119.800 -0.016 0.000 2.451 691 Q HA -0.226 4.114 4.340 0.001 0.000 0.305 691 Q C 1.213 177.040 176.000 -0.289 0.000 1.345 691 Q CA 0.611 56.192 55.803 -0.369 0.000 0.854 691 Q CB -2.241 25.980 28.738 -0.862 0.000 1.162 691 Q HN 0.944 nan 8.270 nan 0.000 0.440 692 C N -2.991 116.260 119.300 -0.081 0.000 2.634 692 C HA 0.202 4.662 4.460 0.001 0.000 0.268 692 C C 1.124 176.067 174.990 -0.078 0.000 1.322 692 C CA 0.568 59.533 59.018 -0.087 0.000 1.737 692 C CB -0.533 27.174 27.740 -0.055 0.000 1.976 692 C HN 0.861 nan 8.230 nan 0.000 0.547 693 N N 0.151 118.856 118.700 0.008 0.000 2.828 693 N HA -0.251 4.490 4.740 0.001 0.000 0.248 693 N C 0.840 176.357 175.510 0.012 0.000 1.044 693 N CA 1.004 54.057 53.050 0.005 0.000 0.851 693 N CB -1.116 37.287 38.487 -0.140 0.000 1.136 693 N HN 0.729 nan 8.380 nan 0.000 0.572 694 Q N -0.160 119.637 119.800 -0.004 0.000 2.167 694 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 694 Q C 2.555 178.589 176.000 0.057 0.000 0.970 694 Q CA 1.802 57.598 55.803 -0.013 0.000 0.855 694 Q CB -0.019 28.684 28.738 -0.058 0.000 0.911 694 Q HN 0.812 nan 8.270 nan 0.000 0.438 695 C N -0.459 118.872 119.300 0.052 0.000 2.432 695 C HA 0.022 4.483 4.460 0.001 0.000 0.277 695 C C 2.749 177.766 174.990 0.046 0.000 1.249 695 C CA 0.456 59.504 59.018 0.049 0.000 1.725 695 C CB -1.366 26.400 27.740 0.044 0.000 2.028 695 C HN 0.462 nan 8.230 nan 0.000 0.477 696 A N 0.132 122.973 122.820 0.034 0.000 1.933 696 A HA -0.073 4.247 4.320 0.001 0.000 0.218 696 A C 2.029 179.632 177.584 0.032 0.000 1.175 696 A CA 1.644 53.687 52.037 0.009 0.000 0.628 696 A CB -1.063 17.924 19.000 -0.022 0.000 0.814 696 A HN 0.653 nan 8.150 nan 0.000 0.444 697 F N 0.148 120.053 119.950 -0.076 0.000 2.171 697 F HA -0.120 4.408 4.527 0.002 0.000 0.300 697 F C 1.999 177.746 175.800 -0.088 0.000 1.090 697 F CA 1.745 59.701 58.000 -0.073 0.000 1.293 697 F CB 0.208 39.173 39.000 -0.057 0.000 1.013 697 F HN 0.041 nan 8.300 nan 0.000 0.486 698 V N -0.949 119.073 119.914 0.180 0.000 3.235 698 V HA -0.078 4.042 4.120 0.001 0.000 0.259 698 V C 1.052 177.122 176.094 -0.041 0.000 1.133 698 V CA 0.224 62.560 62.300 0.059 0.000 1.128 698 V CB -0.577 31.283 31.823 0.061 0.000 0.757 698 V HN 0.386 nan 8.190 nan 0.000 0.469 699 C N 3.116 122.392 119.300 -0.039 0.000 2.638 699 C HA 0.144 4.605 4.460 0.001 0.000 0.410 699 C C -0.469 174.454 174.990 -0.111 0.000 1.404 699 C CA -0.840 58.153 59.018 -0.042 0.000 1.651 699 C CB 0.351 28.084 27.740 -0.012 0.000 2.495 699 C HN 0.340 nan 8.230 nan 0.000 0.606 700 P HA 0.048 nan 4.420 nan 0.000 0.242 700 P C -0.030 176.939 177.300 -0.551 0.000 1.197 700 P CA 1.290 64.216 63.100 -0.289 0.000 0.765 700 P CB 0.038 31.622 31.700 -0.194 0.000 0.936 701 H N -3.451 115.547 119.070 -0.120 0.000 3.230 701 H HA 0.289 4.846 4.556 0.001 0.000 0.259 701 H C 0.487 175.816 175.328 0.002 0.000 1.195 701 H CA -0.024 55.988 56.048 -0.060 0.000 1.112 701 H CB 0.163 29.939 29.762 0.024 0.000 1.638 701 H HN -0.219 nan 8.280 nan 0.000 0.624 702 S N 0.178 115.875 115.700 -0.006 0.000 3.635 702 S HA -0.254 4.217 4.470 0.001 0.000 0.328 702 S C 1.349 176.047 174.600 0.164 0.000 1.135 702 S CA 0.477 58.660 58.200 -0.029 0.000 0.942 702 S CB -1.419 61.638 63.200 -0.239 0.000 0.930 702 S HN 0.682 nan 8.310 nan 0.000 0.512 703 A N -0.065 122.857 122.820 0.170 0.000 2.238 703 A HA 0.461 4.781 4.320 0.001 0.000 0.208 703 A C 0.621 178.241 177.584 0.060 0.000 1.177 703 A CA 0.385 52.511 52.037 0.148 0.000 0.804 703 A CB -0.030 19.024 19.000 0.091 0.000 0.823 703 A HN 0.669 nan 8.150 nan 0.000 0.482 704 I N 0.470 121.057 120.570 0.028 0.000 2.389 704 I HA 0.337 4.508 4.170 0.001 0.000 0.288 704 I C -1.095 174.997 176.117 -0.043 0.000 0.999 704 I CA -0.815 60.468 61.300 -0.029 0.000 1.129 704 I CB 1.995 39.970 38.000 -0.041 0.000 1.288 704 I HN 0.068 nan 8.210 nan 0.000 0.444 705 L N 9.837 131.017 121.223 -0.072 0.000 2.324 705 L HA 0.632 4.973 4.340 0.001 0.000 0.274 705 L C -2.658 174.131 176.870 -0.136 0.000 1.012 705 L CA -1.901 52.900 54.840 -0.065 0.000 0.859 705 L CB 0.996 43.042 42.059 -0.022 0.000 1.224 705 L HN 0.214 nan 8.230 nan 0.000 0.429 706 P HA 0.214 nan 4.420 nan 0.000 0.271 706 P C -1.170 176.078 177.300 -0.086 0.000 1.216 706 P CA -0.098 62.904 63.100 -0.163 0.000 0.771 706 P CB 1.148 32.873 31.700 0.042 0.000 0.864 707 V N 5.017 124.765 119.914 -0.278 0.000 2.409 707 V HA 0.344 4.465 4.120 0.001 0.000 0.291 707 V C -0.312 175.708 176.094 -0.122 0.000 1.020 707 V CA -0.489 61.729 62.300 -0.136 0.000 0.848 707 V CB 1.513 33.287 31.823 -0.081 0.000 0.990 707 V HN 0.342 nan 8.190 nan 0.000 0.430 708 L N 5.465 126.628 121.223 -0.101 0.000 2.345 708 L HA 0.915 5.256 4.340 0.001 0.000 0.274 708 L C -0.052 176.818 176.870 -0.001 0.000 0.999 708 L CA 0.031 54.787 54.840 -0.140 0.000 0.849 708 L CB 1.041 42.682 42.059 -0.697 0.000 1.220 708 L HN 0.765 nan 8.230 nan 0.000 0.422 709 A N 4.467 127.396 122.820 0.183 0.000 2.498 709 A HA 0.742 5.063 4.320 0.001 0.000 0.298 709 A C -0.895 176.836 177.584 0.246 0.000 1.075 709 A CA -0.841 51.329 52.037 0.221 0.000 0.714 709 A CB 1.279 20.371 19.000 0.153 0.000 1.299 709 A HN 0.588 nan 8.150 nan 0.000 0.407 710 K N 0.622 121.096 120.400 0.122 0.000 2.154 710 K HA 0.615 4.936 4.320 0.001 0.000 0.264 710 K C 0.323 176.935 176.600 0.020 0.000 1.008 710 K CA 0.634 56.892 56.287 -0.048 0.000 0.937 710 K CB 0.908 33.327 32.500 -0.135 0.000 1.002 710 K HN 1.047 nan 8.250 nan 0.000 0.469 711 E N 0.019 120.221 120.200 0.003 0.000 0.000 711 E HA 0.575 4.926 4.350 0.001 0.000 0.000 711 E C -1.146 nan 176.600 nan 0.000 0.000 711 E CA -0.375 56.047 56.400 0.037 0.000 0.000 711 E CB 0.720 nan 29.700 nan 0.000 0.000 711 E HN 0.733 nan 8.360 nan 0.000 0.000 712 E N -1.171 119.036 120.200 0.012 0.000 0.000 712 E HA 0.704 5.054 4.350 0.001 0.000 0.000 712 E C -0.154 nan 176.600 nan 0.000 0.000 712 E CA 0.468 56.877 56.400 0.014 0.000 0.000 712 E CB 0.409 nan 29.700 nan 0.000 0.000 712 E HN 0.927 nan 8.360 nan 0.000 0.000 713 E N -1.585 118.640 120.200 0.042 0.000 0.000 713 E HA 0.039 4.390 4.350 0.001 0.000 0.000 713 E C 0.315 176.985 176.600 0.115 0.000 0.000 713 E CA 0.338 56.767 56.400 0.049 0.000 0.000 713 E CB 0.292 30.009 29.700 0.030 0.000 0.000 713 E HN 0.301 nan 8.360 nan 0.000 0.000 714 L N 1.150 122.457 121.223 0.140 0.000 2.741 714 L HA 0.151 4.492 4.340 0.001 0.000 0.237 714 L C 1.580 178.515 176.870 0.107 0.000 1.178 714 L CA 0.440 55.393 54.840 0.189 0.000 0.973 714 L CB 0.251 42.437 42.059 0.212 0.000 1.255 714 L HN -0.025 nan 8.230 nan 0.000 0.498 715 V N 0.444 120.411 119.914 0.087 0.000 2.220 715 V HA -0.239 3.882 4.120 0.001 0.000 0.246 715 V C 2.275 178.366 176.094 -0.006 0.000 1.049 715 V CA 2.314 64.638 62.300 0.039 0.000 1.003 715 V CB -1.085 30.760 31.823 0.037 0.000 0.634 715 V HN 0.568 nan 8.190 nan 0.000 0.444 716 G N -0.580 108.224 108.800 0.006 0.000 2.920 716 G HA2 0.275 4.235 3.960 0.001 0.000 0.208 716 G HA3 0.275 4.235 3.960 0.001 0.000 0.208 716 G C 0.639 175.312 174.900 -0.378 0.000 1.159 716 G CA 0.463 45.512 45.100 -0.085 0.000 0.784 716 G HN 0.672 nan 8.290 nan 0.000 0.535 717 A N 0.926 123.415 122.820 -0.552 0.000 2.561 717 A HA 0.433 4.753 4.320 0.001 0.000 0.234 717 A C -1.711 175.515 177.584 -0.598 0.000 1.055 717 A CA -0.599 50.755 52.037 -1.138 0.000 0.756 717 A CB 0.050 18.699 19.000 -0.584 0.000 0.986 717 A HN 0.220 nan 8.150 nan 0.000 0.505 718 P HA 0.151 nan 4.420 nan 0.000 0.268 718 P C 0.924 178.195 177.300 -0.047 0.000 1.208 718 P CA 0.677 63.651 63.100 -0.210 0.000 0.777 718 P CB 0.567 32.201 31.700 -0.110 0.000 0.875 719 A N 2.970 125.778 122.820 -0.020 0.000 1.978 719 A HA -0.212 4.109 4.320 0.001 0.000 0.220 719 A C 1.411 179.030 177.584 0.058 0.000 1.170 719 A CA 2.000 54.046 52.037 0.016 0.000 0.636 719 A CB -1.339 17.665 19.000 0.006 0.000 0.810 719 A HN 0.824 nan 8.150 nan 0.000 0.448 720 N N -2.418 116.330 118.700 0.079 0.000 2.276 720 N HA 0.140 4.881 4.740 0.001 0.000 0.212 720 N C 0.001 175.601 175.510 0.151 0.000 1.127 720 N CA -0.397 52.709 53.050 0.094 0.000 0.834 720 N CB -0.042 38.488 38.487 0.072 0.000 1.014 720 N HN 0.247 nan 8.380 nan 0.000 0.491 721 F N 2.998 122.957 119.950 0.015 0.000 2.666 721 F HA 0.175 4.703 4.527 0.002 0.000 0.362 721 F C 0.051 175.907 175.800 0.095 0.000 1.190 721 F CA -0.358 57.670 58.000 0.046 0.000 1.328 721 F CB -0.708 38.286 39.000 -0.010 0.000 1.682 721 F HN -0.088 nan 8.300 nan 0.000 0.623 722 T N 3.027 117.599 114.554 0.030 0.000 2.867 722 T HA 0.432 4.782 4.350 0.001 0.000 0.297 722 T C 0.245 175.001 174.700 0.093 0.000 0.989 722 T CA 0.176 62.315 62.100 0.066 0.000 1.159 722 T CB 0.457 69.357 68.868 0.054 0.000 0.928 722 T HN 0.539 nan 8.240 nan 0.000 0.538 723 A N 3.777 126.674 122.820 0.128 0.000 2.413 723 A HA 0.811 5.132 4.320 0.001 0.000 0.307 723 A C -0.647 177.065 177.584 0.214 0.000 1.087 723 A CA -0.885 51.260 52.037 0.180 0.000 0.750 723 A CB 1.127 20.219 19.000 0.153 0.000 1.296 723 A HN 0.778 nan 8.150 nan 0.000 0.423 724 L N 0.906 122.313 121.223 0.306 0.000 2.334 724 L HA 0.444 4.785 4.340 0.001 0.000 0.270 724 L C 0.058 177.074 176.870 0.243 0.000 1.018 724 L CA -1.018 53.977 54.840 0.258 0.000 0.811 724 L CB 1.138 43.391 42.059 0.324 0.000 1.271 724 L HN 0.616 nan 8.230 nan 0.000 0.443 725 E N 1.583 121.885 120.200 0.169 0.000 2.366 725 E HA 0.184 4.534 4.350 0.001 0.000 0.266 725 E C -0.177 176.522 176.600 0.165 0.000 1.015 725 E CA -0.183 56.305 56.400 0.147 0.000 0.906 725 E CB 1.201 30.959 29.700 0.096 0.000 0.979 725 E HN 0.576 nan 8.360 nan 0.000 0.443 726 A N 4.600 127.537 122.820 0.194 0.000 2.520 726 A HA 0.043 4.363 4.320 0.001 0.000 0.245 726 A C 0.347 177.978 177.584 0.078 0.000 1.072 726 A CA 0.127 52.263 52.037 0.165 0.000 0.761 726 A CB 0.137 19.271 19.000 0.224 0.000 1.004 726 A HN 0.444 nan 8.150 nan 0.000 0.499 727 K N 1.136 121.535 120.400 -0.002 0.000 2.118 727 K HA 0.607 4.927 4.320 0.001 0.000 0.267 727 K C 0.304 176.900 176.600 -0.006 0.000 0.991 727 K CA 0.466 56.746 56.287 -0.011 0.000 0.916 727 K CB 1.327 33.797 32.500 -0.050 0.000 1.041 727 K HN 1.502 nan 8.250 nan 0.000 0.455 728 G N 1.576 110.381 108.800 0.009 0.000 2.906 728 G HA2 -0.153 3.807 3.960 0.001 0.000 0.686 728 G HA3 -0.153 3.807 3.960 0.001 0.000 0.686 728 G C 0.172 175.095 174.900 0.037 0.000 1.170 728 G CA -0.588 44.521 45.100 0.016 0.000 0.775 728 G HN 0.540 nan 8.290 nan 0.000 0.630 729 K N 0.933 121.353 120.400 0.032 0.000 2.097 729 K HA -0.114 4.206 4.320 0.001 0.000 0.206 729 K C 2.069 178.702 176.600 0.055 0.000 1.049 729 K CA 2.550 58.861 56.287 0.039 0.000 0.933 729 K CB -0.087 32.430 32.500 0.029 0.000 0.717 729 K HN 0.661 nan 8.250 nan 0.000 0.442 730 E N 0.683 120.915 120.200 0.053 0.000 2.152 730 E HA -0.063 4.288 4.350 0.001 0.000 0.192 730 E C 1.657 178.316 176.600 0.099 0.000 0.983 730 E CA 0.837 57.276 56.400 0.064 0.000 0.818 730 E CB -0.151 29.576 29.700 0.045 0.000 0.758 730 E HN 0.280 nan 8.360 nan 0.000 0.467 731 L N 0.109 121.389 121.223 0.095 0.000 2.685 731 L HA 0.190 4.531 4.340 0.001 0.000 0.233 731 L C 2.197 179.227 176.870 0.266 0.000 1.173 731 L CA 0.115 55.049 54.840 0.156 0.000 0.961 731 L CB -0.898 41.191 42.059 0.049 0.000 1.217 731 L HN 0.125 nan 8.230 nan 0.000 0.478 732 K N 1.483 121.986 120.400 0.172 0.000 2.017 732 K HA -0.287 4.033 4.320 0.001 0.000 0.229 732 K C 1.722 178.387 176.600 0.108 0.000 1.004 732 K CA 2.339 58.696 56.287 0.116 0.000 0.991 732 K CB -1.930 nan 32.500 nan 0.000 0.773 732 K HN 0.534 nan 8.250 nan 0.000 0.453 733 G N -1.122 107.717 108.800 0.065 0.000 3.371 733 G HA2 0.434 4.395 3.960 0.001 0.000 0.248 733 G HA3 0.434 4.395 3.960 0.001 0.000 0.248 733 G C 0.215 175.077 174.900 -0.064 0.000 1.161 733 G CA -0.212 44.874 45.100 -0.022 0.000 0.796 733 G HN 0.516 nan 8.290 nan 0.000 0.539 734 Y N 0.221 120.542 120.300 0.036 0.000 2.340 734 Y HA 0.510 5.060 4.550 0.001 0.000 0.327 734 Y C 0.656 176.610 175.900 0.089 0.000 1.321 734 Y CA -0.449 57.678 58.100 0.045 0.000 1.433 734 Y CB 1.020 39.491 38.460 0.018 0.000 1.373 734 Y HN -0.255 nan 8.280 nan 0.000 0.538 735 K N 1.543 122.125 120.400 0.303 0.000 2.244 735 K HA 0.313 4.634 4.320 0.001 0.000 0.260 735 K C -1.635 175.144 176.600 0.298 0.000 0.951 735 K CA -0.618 55.824 56.287 0.258 0.000 0.826 735 K CB 1.629 34.252 32.500 0.205 0.000 1.108 735 K HN 0.528 nan 8.250 nan 0.000 0.433 736 F N 2.451 122.490 119.950 0.148 0.000 2.469 736 F HA 0.530 5.057 4.527 0.001 0.000 0.332 736 F C -0.234 175.627 175.800 0.102 0.000 1.103 736 F CA -0.686 57.390 58.000 0.126 0.000 0.979 736 F CB 1.323 40.420 39.000 0.161 0.000 1.137 736 F HN 0.456 nan 8.300 nan 0.000 0.463 737 R N 6.672 126.652 120.500 -0.867 0.000 2.566 737 R HA 0.443 4.783 4.340 0.001 0.000 0.271 737 R C -2.232 173.228 176.300 -1.401 0.000 1.071 737 R CA -0.712 54.810 56.100 -0.963 0.000 0.915 737 R CB 1.365 31.285 30.300 -0.633 0.000 1.228 737 R HN 0.618 nan 8.270 nan 0.000 0.449 738 I N 4.144 123.519 120.570 -1.992 0.000 2.291 738 I HA 0.175 4.346 4.170 0.001 0.000 0.290 738 I C -0.198 175.333 176.117 -0.976 0.000 1.050 738 I CA -0.320 60.128 61.300 -1.419 0.000 1.245 738 I CB 1.114 38.132 38.000 -1.638 0.000 1.405 738 I HN 0.595 nan 8.210 nan 0.000 0.478 739 Q N 6.901 126.377 119.800 -0.539 0.000 2.331 739 Q HA 0.378 4.719 4.340 0.001 0.000 0.257 739 Q C -0.777 175.130 176.000 -0.156 0.000 0.957 739 Q CA -0.356 55.280 55.803 -0.279 0.000 0.923 739 Q CB 0.900 29.564 28.738 -0.123 0.000 1.212 739 Q HN 0.366 nan 8.270 nan 0.000 0.443 740 I N 3.844 124.359 120.570 -0.091 0.000 2.441 740 I HA 0.141 4.312 4.170 0.001 0.000 0.287 740 I C 0.306 176.415 176.117 -0.013 0.000 1.049 740 I CA 0.023 61.301 61.300 -0.037 0.000 1.381 740 I CB 0.737 38.739 38.000 0.003 0.000 1.409 740 I HN 0.776 nan 8.210 nan 0.000 0.523 741 N N 3.907 122.599 118.700 -0.014 0.000 2.801 741 N HA 0.061 4.801 4.740 0.001 0.000 0.235 741 N C 1.238 176.718 175.510 -0.050 0.000 1.069 741 N CA -0.151 52.879 53.050 -0.034 0.000 0.946 741 N CB 0.601 39.069 38.487 -0.032 0.000 1.212 741 N HN 0.729 nan 8.380 nan 0.000 0.509 742 T N 0.588 115.121 114.554 -0.034 0.000 3.007 742 T HA -0.081 4.269 4.350 0.001 0.000 0.270 742 T C 1.526 176.195 174.700 -0.052 0.000 1.107 742 T CA 0.685 62.768 62.100 -0.028 0.000 1.118 742 T CB -0.065 68.801 68.868 -0.004 0.000 0.889 742 T HN 0.438 nan 8.240 nan 0.000 0.506 743 L N 0.118 121.289 121.223 -0.086 0.000 2.307 743 L HA 0.191 4.531 4.340 0.001 0.000 0.211 743 L C 2.040 178.813 176.870 -0.162 0.000 1.099 743 L CA 0.765 55.543 54.840 -0.103 0.000 0.816 743 L CB -0.158 41.839 42.059 -0.105 0.000 0.952 743 L HN 0.183 nan 8.230 nan 0.000 0.455 744 D N -0.749 119.507 120.400 -0.239 0.000 2.366 744 D HA 0.002 4.642 4.640 0.001 0.000 0.205 744 D C 0.746 176.963 176.300 -0.139 0.000 1.022 744 D CA 0.136 53.957 54.000 -0.298 0.000 0.868 744 D CB 0.241 40.613 40.800 -0.714 0.000 0.953 744 D HN 0.198 nan 8.370 nan 0.000 0.514 745 C N 1.391 120.633 119.300 -0.096 0.000 2.657 745 C HA 0.028 4.489 4.460 0.001 0.000 0.420 745 C C 1.628 176.545 174.990 -0.120 0.000 1.323 745 C CA -0.059 58.920 59.018 -0.065 0.000 1.894 745 C CB -0.173 27.547 27.740 -0.034 0.000 2.681 745 C HN 0.186 nan 8.230 nan 0.000 0.613 746 M N 3.933 123.436 119.600 -0.163 0.000 2.333 746 M HA 0.204 4.684 4.480 0.001 0.000 0.257 746 M C 1.728 177.976 176.300 -0.088 0.000 1.078 746 M CA 1.060 56.239 55.300 -0.202 0.000 1.005 746 M CB -0.773 31.567 32.600 -0.433 0.000 1.444 746 M HN 1.195 nan 8.290 nan 0.000 0.496 747 G N 0.934 109.706 108.800 -0.047 0.000 2.143 747 G HA2 -0.330 3.631 3.960 0.001 0.000 0.248 747 G HA3 -0.330 3.631 3.960 0.001 0.000 0.248 747 G C 1.098 175.996 174.900 -0.003 0.000 0.991 747 G CA 0.600 45.690 45.100 -0.016 0.000 0.689 747 G HN 0.625 nan 8.290 nan 0.000 0.522 748 C N -1.441 117.860 119.300 0.002 0.000 2.429 748 C HA 0.428 4.889 4.460 0.001 0.000 0.277 748 C C 2.742 177.742 174.990 0.017 0.000 1.262 748 C CA 1.646 60.673 59.018 0.015 0.000 1.733 748 C CB -0.909 26.849 27.740 0.029 0.000 2.010 748 C HN 2.472 nan 8.230 nan 0.000 0.483 749 G N 0.856 109.668 108.800 0.019 0.000 2.175 749 G HA2 -0.310 3.651 3.960 0.001 0.000 0.244 749 G HA3 -0.310 3.651 3.960 0.001 0.000 0.244 749 G C 0.493 175.407 174.900 0.024 0.000 0.982 749 G CA 0.660 45.773 45.100 0.022 0.000 0.641 749 G HN 0.603 nan 8.290 nan 0.000 0.527 750 N N 0.011 118.725 118.700 0.022 0.000 2.069 750 N HA -0.174 4.566 4.740 0.001 0.000 0.191 750 N C 2.713 178.238 175.510 0.024 0.000 1.031 750 N CA 2.710 55.772 53.050 0.020 0.000 0.852 750 N CB -0.482 38.012 38.487 0.011 0.000 1.018 750 N HN 0.967 nan 8.380 nan 0.000 0.423 751 C N 0.033 119.350 119.300 0.028 0.000 2.413 751 C HA 0.020 4.481 4.460 0.001 0.000 0.277 751 C C 2.734 177.750 174.990 0.044 0.000 1.228 751 C CA 0.556 59.596 59.018 0.036 0.000 1.731 751 C CB -1.463 26.299 27.740 0.038 0.000 2.042 751 C HN 0.391 nan 8.230 nan 0.000 0.468 752 A N 1.150 123.997 122.820 0.044 0.000 1.933 752 A HA -0.181 4.139 4.320 0.001 0.000 0.218 752 A C 1.911 179.518 177.584 0.037 0.000 1.175 752 A CA 2.280 54.345 52.037 0.047 0.000 0.628 752 A CB -0.979 18.047 19.000 0.043 0.000 0.814 752 A HN 0.675 nan 8.150 nan 0.000 0.444 753 D N -1.037 119.381 120.400 0.030 0.000 2.178 753 D HA -0.093 4.548 4.640 0.001 0.000 0.202 753 D C 1.401 177.715 176.300 0.023 0.000 0.974 753 D CA 0.977 54.992 54.000 0.025 0.000 0.841 753 D CB -0.053 40.761 40.800 0.024 0.000 0.953 753 D HN 0.300 nan 8.370 nan 0.000 0.478 754 I N 0.093 120.677 120.570 0.024 0.000 3.228 754 I HA 0.080 4.251 4.170 0.001 0.000 0.279 754 I C 0.423 176.551 176.117 0.018 0.000 1.221 754 I CA -0.075 61.235 61.300 0.016 0.000 1.458 754 I CB -0.259 37.748 38.000 0.012 0.000 1.105 754 I HN 0.115 nan 8.210 nan 0.000 0.445 755 C N 3.980 123.299 119.300 0.033 0.000 2.409 755 C HA -0.061 4.400 4.460 0.001 0.000 0.398 755 C C -0.361 174.646 174.990 0.028 0.000 1.507 755 C CA -0.942 58.103 59.018 0.045 0.000 1.460 755 C CB -0.152 27.629 27.740 0.068 0.000 2.472 755 C HN 0.280 nan 8.230 nan 0.000 0.614 756 P HA -0.074 nan 4.420 nan 0.000 0.214 756 P C -1.705 175.599 177.300 0.007 0.000 1.169 756 P CA 1.429 64.531 63.100 0.005 0.000 0.908 756 P CB -1.076 30.621 31.700 -0.005 0.000 0.791 757 P HA -0.050 nan 4.420 nan 0.000 0.265 757 P C 0.723 178.026 177.300 0.006 0.000 1.193 757 P CA 0.411 63.515 63.100 0.007 0.000 0.765 757 P CB 0.839 32.545 31.700 0.010 0.000 0.823 758 K N 2.188 122.589 120.400 0.001 0.000 2.074 758 K HA -0.145 4.176 4.320 0.001 0.000 0.209 758 K C 0.513 177.113 176.600 0.000 0.000 1.048 758 K CA 1.185 57.472 56.287 0.001 0.000 0.926 758 K CB 0.132 32.631 32.500 -0.002 0.000 0.713 758 K HN 0.416 nan 8.250 nan 0.000 0.444 759 E N 2.665 122.862 120.200 -0.004 0.000 1.861 759 E HA 0.040 4.390 4.350 0.001 0.000 0.263 759 E C -0.688 175.908 176.600 -0.006 0.000 1.137 759 E CA -0.065 56.329 56.400 -0.009 0.000 0.944 759 E CB 0.848 30.538 29.700 -0.016 0.000 1.092 759 E HN 0.117 nan 8.360 nan 0.000 0.420 760 K N 0.720 121.122 120.400 0.002 0.000 2.586 760 K HA -0.073 4.248 4.320 0.001 0.000 0.280 760 K C 0.761 177.367 176.600 0.009 0.000 0.972 760 K CA 0.184 56.480 56.287 0.015 0.000 1.040 760 K CB 0.535 33.047 32.500 0.021 0.000 0.870 760 K HN 0.414 nan 8.250 nan 0.000 0.497 761 A N 3.598 126.442 122.820 0.041 0.000 2.348 761 A HA 0.207 4.528 4.320 0.001 0.000 0.224 761 A C 0.331 177.989 177.584 0.123 0.000 1.227 761 A CA 0.097 52.156 52.037 0.037 0.000 0.885 761 A CB 0.240 19.311 19.000 0.118 0.000 0.933 761 A HN 0.517 nan 8.150 nan 0.000 0.506 762 L N 0.559 121.851 121.223 0.115 0.000 2.439 762 L HA 0.541 4.882 4.340 0.001 0.000 0.270 762 L C -1.500 175.414 176.870 0.073 0.000 0.972 762 L CA -0.673 54.245 54.840 0.131 0.000 0.836 762 L CB 2.416 44.557 42.059 0.138 0.000 1.255 762 L HN -0.102 nan 8.230 nan 0.000 0.404 763 V N 3.709 123.661 119.914 0.063 0.000 2.577 763 V HA 0.434 4.555 4.120 0.001 0.000 0.303 763 V C 0.101 176.219 176.094 0.040 0.000 1.042 763 V CA -0.671 61.653 62.300 0.040 0.000 0.872 763 V CB 2.168 34.006 31.823 0.025 0.000 0.998 763 V HN 0.635 nan 8.190 nan 0.000 0.423 764 M N 4.834 124.453 119.600 0.032 0.000 2.238 764 M HA 0.396 4.876 4.480 0.001 0.000 0.350 764 M C -0.222 176.092 176.300 0.024 0.000 1.321 764 M CA 0.471 55.787 55.300 0.028 0.000 1.097 764 M CB 0.331 32.945 32.600 0.022 0.000 1.713 764 M HN 0.622 nan 8.290 nan 0.000 0.455 765 Q N 2.898 122.713 119.800 0.025 0.000 2.456 765 Q HA 0.587 4.928 4.340 0.001 0.000 0.283 765 Q C -2.537 173.475 176.000 0.021 0.000 1.084 765 Q CA -1.980 53.836 55.803 0.022 0.000 0.801 765 Q CB 1.469 30.222 28.738 0.026 0.000 1.434 765 Q HN 0.322 nan 8.270 nan 0.000 0.419 766 P HA -0.032 nan 4.420 nan 0.000 0.268 766 P C 0.826 178.139 177.300 0.022 0.000 1.204 766 P CA -0.140 62.971 63.100 0.019 0.000 0.768 766 P CB 0.503 32.214 31.700 0.019 0.000 0.842 767 L N 4.942 126.177 121.223 0.020 0.000 2.021 767 L HA -0.247 4.093 4.340 0.001 0.000 0.215 767 L C 1.696 178.583 176.870 0.027 0.000 1.074 767 L CA 2.171 57.023 54.840 0.021 0.000 0.760 767 L CB -1.311 40.759 42.059 0.019 0.000 0.889 767 L HN 0.454 nan 8.230 nan 0.000 0.433 768 D N -1.927 118.492 120.400 0.031 0.000 2.265 768 D HA -0.223 4.418 4.640 0.001 0.000 0.208 768 D C 1.631 177.953 176.300 0.036 0.000 0.977 768 D CA 1.565 55.588 54.000 0.038 0.000 0.871 768 D CB -0.687 40.139 40.800 0.044 0.000 0.925 768 D HN 0.620 nan 8.370 nan 0.000 0.485 769 T N -3.480 111.093 114.554 0.032 0.000 3.107 769 T HA 0.053 4.403 4.350 0.001 0.000 0.249 769 T C 1.521 176.240 174.700 0.032 0.000 1.096 769 T CA 0.163 62.282 62.100 0.031 0.000 1.012 769 T CB 0.556 69.440 68.868 0.027 0.000 0.977 769 T HN -0.029 nan 8.240 nan 0.000 0.527 770 Q N 0.818 120.638 119.800 0.033 0.000 2.404 770 Q HA 0.213 4.553 4.340 0.001 0.000 0.262 770 Q C 2.450 178.471 176.000 0.035 0.000 0.846 770 Q CA 0.374 56.198 55.803 0.035 0.000 0.978 770 Q CB 0.104 28.863 28.738 0.035 0.000 1.156 770 Q HN 0.724 nan 8.270 nan 0.000 0.548 771 R N 1.180 121.698 120.500 0.031 0.000 2.091 771 R HA -0.116 4.225 4.340 0.001 0.000 0.238 771 R C 1.005 177.323 176.300 0.031 0.000 1.136 771 R CA 1.708 57.825 56.100 0.028 0.000 0.959 771 R CB -0.443 29.873 30.300 0.026 0.000 0.856 771 R HN -0.026 nan 8.270 nan 0.000 0.437 772 D N 1.265 121.685 120.400 0.033 0.000 2.158 772 D HA -0.150 4.491 4.640 0.001 0.000 0.197 772 D C 1.914 178.235 176.300 0.035 0.000 0.995 772 D CA 1.967 55.986 54.000 0.031 0.000 0.846 772 D CB -0.129 40.689 40.800 0.030 0.000 0.941 772 D HN 0.508 nan 8.370 nan 0.000 0.456 773 A N 0.415 123.260 122.820 0.041 0.000 1.911 773 A HA -0.070 4.251 4.320 0.001 0.000 0.212 773 A C 2.038 179.662 177.584 0.067 0.000 1.189 773 A CA 0.663 52.730 52.037 0.051 0.000 0.639 773 A CB -0.060 18.971 19.000 0.052 0.000 0.839 773 A HN -0.000 nan 8.150 nan 0.000 0.449 774 Q N -0.107 119.730 119.800 0.062 0.000 2.331 774 Q HA 0.037 4.378 4.340 0.001 0.000 0.203 774 Q C 2.127 178.165 176.000 0.063 0.000 0.944 774 Q CA 0.914 56.759 55.803 0.071 0.000 0.892 774 Q CB -0.587 28.185 28.738 0.056 0.000 0.983 774 Q HN 0.446 nan 8.270 nan 0.000 0.482 775 V N 1.761 121.701 119.914 0.043 0.000 2.295 775 V HA -0.178 3.943 4.120 0.001 0.000 0.246 775 V C -0.705 175.418 176.094 0.047 0.000 1.049 775 V CA 1.892 64.210 62.300 0.031 0.000 1.024 775 V CB -1.482 30.352 31.823 0.019 0.000 0.648 775 V HN 0.205 nan 8.190 nan 0.000 0.447 776 P HA -0.089 nan 4.420 nan 0.000 0.217 776 P C 1.257 178.615 177.300 0.097 0.000 1.151 776 P CA 1.451 64.585 63.100 0.056 0.000 0.828 776 P CB -0.168 31.554 31.700 0.036 0.000 0.788 777 N N -0.709 118.077 118.700 0.144 0.000 2.244 777 N HA -0.107 4.633 4.740 0.001 0.000 0.183 777 N C 1.652 177.341 175.510 0.297 0.000 1.016 777 N CA 0.290 53.512 53.050 0.287 0.000 0.866 777 N CB -0.441 38.257 38.487 0.352 0.000 0.980 777 N HN 0.043 nan 8.380 nan 0.000 0.430 778 L N 2.080 123.404 121.223 0.169 0.000 2.027 778 L HA -0.125 4.216 4.340 0.001 0.000 0.206 778 L C 1.860 178.785 176.870 0.092 0.000 1.074 778 L CA 1.877 56.786 54.840 0.115 0.000 0.745 778 L CB -0.718 41.368 42.059 0.045 0.000 0.898 778 L HN 0.160 nan 8.230 nan 0.000 0.433 779 E N -0.456 119.790 120.200 0.077 0.000 2.070 779 E HA -0.305 4.045 4.350 0.001 0.000 0.197 779 E C 2.060 178.693 176.600 0.056 0.000 1.004 779 E CA 1.698 58.130 56.400 0.054 0.000 0.805 779 E CB -0.875 28.857 29.700 0.054 0.000 0.744 779 E HN 0.601 nan 8.360 nan 0.000 0.451 780 Y N 1.462 121.725 120.300 -0.062 0.000 2.114 780 Y HA -0.168 4.383 4.550 0.001 0.000 0.284 780 Y C 2.453 178.271 175.900 -0.136 0.000 1.143 780 Y CA 1.700 59.708 58.100 -0.152 0.000 1.135 780 Y CB -0.564 37.707 38.460 -0.314 0.000 0.980 780 Y HN 0.025 nan 8.280 nan 0.000 0.499 781 A N 0.518 123.352 122.820 0.023 0.000 1.940 781 A HA -0.180 4.141 4.320 0.001 0.000 0.219 781 A C 2.374 179.930 177.584 -0.046 0.000 1.176 781 A CA 1.953 54.031 52.037 0.068 0.000 0.631 781 A CB -1.526 17.658 19.000 0.305 0.000 0.814 781 A HN 0.620 nan 8.150 nan 0.000 0.446 782 A N -0.361 122.440 122.820 -0.032 0.000 2.070 782 A HA -0.131 4.190 4.320 0.001 0.000 0.220 782 A C 2.129 179.662 177.584 -0.085 0.000 1.159 782 A CA 1.463 53.477 52.037 -0.038 0.000 0.656 782 A CB -0.359 18.634 19.000 -0.012 0.000 0.800 782 A HN 0.600 nan 8.150 nan 0.000 0.453 783 R N -0.812 119.590 120.500 -0.163 0.000 2.280 783 R HA 0.296 4.637 4.340 0.001 0.000 0.195 783 R C -0.121 176.050 176.300 -0.214 0.000 0.935 783 R CA -0.058 55.932 56.100 -0.184 0.000 1.033 783 R CB -0.012 30.154 30.300 -0.223 0.000 0.964 783 R HN 0.431 nan 8.270 nan 0.000 0.489 784 I N 3.143 123.564 120.570 -0.248 0.000 2.556 784 I HA 0.088 4.258 4.170 0.001 0.000 0.284 784 I C -1.989 174.069 176.117 -0.098 0.000 1.114 784 I CA -2.082 59.104 61.300 -0.191 0.000 1.418 784 I CB 0.579 38.483 38.000 -0.160 0.000 1.394 784 I HN -0.264 nan 8.210 nan 0.000 0.552 785 P HA 0.001 nan 4.420 nan 0.000 0.262 785 P C -0.587 176.688 177.300 -0.043 0.000 1.182 785 P CA -0.110 62.962 63.100 -0.047 0.000 0.761 785 P CB 0.337 32.019 31.700 -0.031 0.000 0.795 786 V N 5.501 125.394 119.914 -0.035 0.000 2.521 786 V HA 0.027 4.147 4.120 0.001 0.000 0.286 786 V C 1.057 177.121 176.094 -0.050 0.000 1.034 786 V CA 0.119 62.401 62.300 -0.030 0.000 1.045 786 V CB 0.248 32.067 31.823 -0.006 0.000 0.974 786 V HN 0.406 nan 8.190 nan 0.000 0.480 787 K N 3.785 124.114 120.400 -0.118 0.000 2.307 787 K HA 0.136 4.456 4.320 0.001 0.000 0.240 787 K C 1.329 177.869 176.600 -0.100 0.000 1.214 787 K CA 0.115 56.298 56.287 -0.173 0.000 1.149 787 K CB 0.229 32.480 32.500 -0.415 0.000 1.668 787 K HN 0.844 nan 8.250 nan 0.000 0.314 788 S N -0.598 115.089 115.700 -0.022 0.000 2.515 788 S HA -0.038 4.433 4.470 0.001 0.000 0.231 788 S C 1.088 175.697 174.600 0.015 0.000 0.987 788 S CA 0.479 58.692 58.200 0.021 0.000 0.936 788 S CB 0.116 63.323 63.200 0.013 0.000 0.766 788 S HN 0.309 nan 8.310 nan 0.000 0.528 789 E N 0.305 120.501 120.200 -0.007 0.000 2.481 789 E HA 0.307 4.658 4.350 0.001 0.000 0.198 789 E C 1.445 178.043 176.600 -0.004 0.000 1.027 789 E CA -0.058 56.343 56.400 0.002 0.000 0.900 789 E CB 0.509 30.213 29.700 0.006 0.000 0.993 789 E HN 0.330 nan 8.360 nan 0.000 0.482 790 V N -0.333 119.558 119.914 -0.039 0.000 2.535 790 V HA 0.132 4.252 4.120 0.001 0.000 0.246 790 V C 0.508 176.603 176.094 0.000 0.000 1.045 790 V CA 1.055 63.318 62.300 -0.060 0.000 1.058 790 V CB 0.210 31.885 31.823 -0.247 0.000 0.689 790 V HN 0.088 nan 8.190 nan 0.000 0.461 791 L N -0.482 120.773 121.223 0.054 0.000 2.309 791 L HA 0.512 4.852 4.340 0.001 0.000 0.261 791 L C -2.457 174.450 176.870 0.061 0.000 1.021 791 L CA -2.095 52.793 54.840 0.080 0.000 0.823 791 L CB 1.800 43.952 42.059 0.155 0.000 1.366 791 L HN -0.055 nan 8.230 nan 0.000 0.423 792 P HA 0.063 nan 4.420 nan 0.000 0.264 792 P C 0.073 177.384 177.300 0.018 0.000 1.193 792 P CA 0.094 63.209 63.100 0.026 0.000 0.763 792 P CB 0.583 32.294 31.700 0.020 0.000 0.810 793 R N 3.348 123.850 120.500 0.003 0.000 2.105 793 R HA -0.164 4.177 4.340 0.001 0.000 0.239 793 R C 0.876 177.143 176.300 -0.055 0.000 1.135 793 R CA 1.871 57.955 56.100 -0.026 0.000 0.967 793 R CB -0.134 30.138 30.300 -0.047 0.000 0.861 793 R HN 0.531 nan 8.270 nan 0.000 0.442 794 D N -0.284 120.090 120.400 -0.044 0.000 2.325 794 D HA -0.028 4.613 4.640 0.001 0.000 0.225 794 D C -0.028 176.265 176.300 -0.011 0.000 1.096 794 D CA -0.132 53.839 54.000 -0.049 0.000 0.844 794 D CB 0.115 40.893 40.800 -0.036 0.000 0.925 794 D HN 0.133 nan 8.370 nan 0.000 0.513 795 S N -0.718 114.981 115.700 -0.003 0.000 2.632 795 S HA 0.263 4.734 4.470 0.001 0.000 0.271 795 S C 1.303 175.904 174.600 0.001 0.000 1.260 795 S CA -0.943 57.256 58.200 -0.003 0.000 1.010 795 S CB 1.853 65.050 63.200 -0.005 0.000 0.965 795 S HN 0.167 nan 8.310 nan 0.000 0.534 796 L N 1.245 122.449 121.223 -0.032 0.000 1.944 796 L HA -0.175 4.166 4.340 0.001 0.000 0.218 796 L C 2.771 179.602 176.870 -0.064 0.000 1.075 796 L CA 2.023 56.818 54.840 -0.076 0.000 0.767 796 L CB -0.492 41.458 42.059 -0.182 0.000 0.890 796 L HN 0.971 nan 8.230 nan 0.000 0.434 797 K N -0.766 119.559 120.400 -0.125 0.000 2.057 797 K HA -0.150 4.171 4.320 0.001 0.000 0.207 797 K C 1.861 178.262 176.600 -0.332 0.000 1.049 797 K CA 1.368 57.514 56.287 -0.236 0.000 0.931 797 K CB -0.350 32.035 32.500 -0.192 0.000 0.714 797 K HN 0.557 nan 8.250 nan 0.000 0.440 798 G N 0.347 109.074 108.800 -0.123 0.000 2.408 798 G HA2 -0.268 3.693 3.960 0.001 0.000 0.217 798 G HA3 -0.268 3.693 3.960 0.001 0.000 0.217 798 G C 1.474 176.354 174.900 -0.034 0.000 1.150 798 G CA 1.078 46.167 45.100 -0.018 0.000 0.776 798 G HN 0.493 nan 8.290 nan 0.000 0.542 799 S N 0.119 115.798 115.700 -0.036 0.000 2.419 799 S HA -0.120 4.351 4.470 0.001 0.000 0.235 799 S C 1.931 176.493 174.600 -0.063 0.000 1.019 799 S CA 1.359 59.541 58.200 -0.032 0.000 0.982 799 S CB -0.180 63.043 63.200 0.040 0.000 0.789 799 S HN 0.308 nan 8.310 nan 0.000 0.490 800 Q N -0.121 119.605 119.800 -0.123 0.000 2.365 800 Q HA 0.333 4.673 4.340 0.001 0.000 0.203 800 Q C 0.335 176.270 176.000 -0.108 0.000 0.929 800 Q CA 0.244 55.955 55.803 -0.154 0.000 0.948 800 Q CB -0.406 28.222 28.738 -0.182 0.000 1.043 800 Q HN 0.797 nan 8.270 nan 0.000 0.505 801 F N 0.328 120.271 119.950 -0.010 0.000 2.647 801 F HA 0.183 4.710 4.527 0.001 0.000 0.300 801 F C 0.717 176.490 175.800 -0.045 0.000 1.106 801 F CA -0.546 57.437 58.000 -0.028 0.000 1.313 801 F CB 0.912 39.892 39.000 -0.032 0.000 1.007 801 F HN -0.112 nan 8.300 nan 0.000 0.536 802 Q N 0.829 120.687 119.800 0.096 0.000 2.248 802 Q HA 0.260 4.601 4.340 0.001 0.000 0.263 802 Q C -0.315 175.678 176.000 -0.013 0.000 1.007 802 Q CA -0.501 55.313 55.803 0.019 0.000 0.877 802 Q CB 1.533 30.249 28.738 -0.036 0.000 1.315 802 Q HN 0.309 nan 8.270 nan 0.000 0.454 803 E N 3.290 123.472 120.200 -0.029 0.000 2.217 803 E HA 0.164 4.515 4.350 0.001 0.000 0.279 803 E C -2.075 174.477 176.600 -0.080 0.000 1.068 803 E CA -1.520 54.851 56.400 -0.049 0.000 0.882 803 E CB 0.577 30.252 29.700 -0.042 0.000 1.039 803 E HN 0.173 nan 8.360 nan 0.000 0.418 804 P HA 0.066 nan 4.420 nan 0.000 0.282 804 P C -0.293 176.916 177.300 -0.152 0.000 1.262 804 P CA -0.333 62.679 63.100 -0.147 0.000 0.773 804 P CB 0.912 32.502 31.700 -0.183 0.000 0.879 805 L N 3.354 124.508 121.223 -0.114 0.000 2.791 805 L HA 0.353 4.694 4.340 0.001 0.000 0.239 805 L C 0.570 177.376 176.870 -0.107 0.000 1.203 805 L CA 0.577 55.373 54.840 -0.074 0.000 1.002 805 L CB -0.503 41.564 42.059 0.013 0.000 1.295 805 L HN 0.446 nan 8.230 nan 0.000 0.504 806 M N 0.863 120.307 119.600 -0.259 0.000 2.164 806 M HA 0.395 4.875 4.480 0.001 0.000 0.260 806 M C -1.623 174.397 176.300 -0.466 0.000 0.974 806 M CA 0.106 55.130 55.300 -0.462 0.000 1.020 806 M CB 1.525 33.777 32.600 -0.579 0.000 1.903 806 M HN 0.172 nan 8.290 nan 0.000 0.469 807 E N 4.200 124.074 120.200 -0.543 0.000 2.383 807 E HA 0.541 4.892 4.350 0.001 0.000 0.275 807 E C -0.909 175.310 176.600 -0.635 0.000 0.918 807 E CA -0.849 55.068 56.400 -0.805 0.000 0.764 807 E CB 1.902 30.725 29.700 -1.462 0.000 1.252 807 E HN 0.685 nan 8.360 nan 0.000 0.449 808 F N 0.120 120.038 119.950 -0.053 0.000 3.039 808 F HA -0.270 4.257 4.527 0.001 0.000 0.287 808 F C 0.744 176.588 175.800 0.073 0.000 0.956 808 F CA 0.131 58.156 58.000 0.042 0.000 0.971 808 F CB -1.793 37.208 39.000 0.001 0.000 0.943 808 F HN 0.386 nan 8.300 nan 0.000 0.766 809 S N 0.415 116.204 115.700 0.149 0.000 2.655 809 S HA 0.588 5.059 4.470 0.001 0.000 0.265 809 S C 1.250 175.993 174.600 0.239 0.000 1.240 809 S CA -0.184 58.094 58.200 0.131 0.000 0.986 809 S CB 1.727 64.925 63.200 -0.004 0.000 0.985 809 S HN 0.466 nan 8.310 nan 0.000 0.562 810 G N -0.392 108.558 108.800 0.251 0.000 3.210 810 G HA2 0.454 4.415 3.960 0.001 0.000 0.220 810 G HA3 0.454 4.415 3.960 0.001 0.000 0.220 810 G C 0.492 175.550 174.900 0.262 0.000 1.200 810 G CA 0.025 45.274 45.100 0.249 0.000 0.834 810 G HN 1.111 nan 8.290 nan 0.000 0.524 811 A N -0.488 122.458 122.820 0.210 0.000 2.448 811 A HA 0.408 4.729 4.320 0.001 0.000 0.239 811 A C 0.959 178.666 177.584 0.204 0.000 1.080 811 A CA -0.287 51.803 52.037 0.089 0.000 0.779 811 A CB 0.024 18.744 19.000 -0.466 0.000 1.026 811 A HN 0.374 nan 8.150 nan 0.000 0.499 812 C N 0.632 120.014 119.300 0.137 0.000 2.745 812 C HA 0.311 4.771 4.460 0.001 0.000 0.387 812 C C 1.315 176.406 174.990 0.169 0.000 1.312 812 C CA -0.446 58.646 59.018 0.123 0.000 2.204 812 C CB -0.314 27.474 27.740 0.080 0.000 2.686 812 C HN 0.812 nan 8.230 nan 0.000 0.705 813 S N 0.940 116.697 115.700 0.096 0.000 2.533 813 S HA 0.420 4.890 4.470 0.001 0.000 0.282 813 S C 1.174 175.824 174.600 0.083 0.000 1.304 813 S CA 0.740 58.986 58.200 0.078 0.000 1.063 813 S CB 0.389 63.591 63.200 0.003 0.000 0.881 813 S HN 1.556 nan 8.310 nan 0.000 0.493 814 G N 1.430 110.290 108.800 0.099 0.000 2.159 814 G HA2 -0.299 3.662 3.960 0.001 0.000 0.256 814 G HA3 -0.299 3.662 3.960 0.001 0.000 0.256 814 G C 0.463 175.364 174.900 0.002 0.000 0.977 814 G CA -0.102 45.022 45.100 0.039 0.000 0.652 814 G HN 0.963 nan 8.290 nan 0.000 0.531 815 C N 1.321 120.614 119.300 -0.011 0.000 2.465 815 C HA 0.423 4.884 4.460 0.001 0.000 0.402 815 C C 2.205 177.146 174.990 -0.081 0.000 1.448 815 C CA 1.196 60.176 59.018 -0.063 0.000 1.589 815 C CB -0.185 27.456 27.740 -0.165 0.000 2.535 815 C HN 1.115 nan 8.230 nan 0.000 0.600 816 G N 3.527 112.308 108.800 -0.033 0.000 2.920 816 G HA2 0.020 3.981 3.960 0.001 0.000 0.208 816 G HA3 0.020 3.981 3.960 0.001 0.000 0.208 816 G C 1.253 176.211 174.900 0.097 0.000 1.159 816 G CA 0.335 45.433 45.100 -0.004 0.000 0.784 816 G HN 0.921 nan 8.290 nan 0.000 0.535 817 E N 0.333 120.579 120.200 0.077 0.000 2.099 817 E HA -0.073 4.277 4.350 0.001 0.000 0.191 817 E C 2.765 179.443 176.600 0.131 0.000 0.962 817 E CA 1.201 57.733 56.400 0.220 0.000 0.826 817 E CB -0.232 29.676 29.700 0.347 0.000 0.788 817 E HN 0.448 nan 8.360 nan 0.000 0.461 818 T N 0.003 114.405 114.554 -0.253 0.000 2.833 818 T HA -0.077 4.273 4.350 0.001 0.000 0.269 818 T C -1.107 173.412 174.700 -0.302 0.000 1.054 818 T CA 0.665 62.474 62.100 -0.486 0.000 1.135 818 T CB -1.348 66.971 68.868 -0.916 0.000 0.869 818 T HN -0.026 nan 8.240 nan 0.000 0.466 819 P HA -0.019 nan 4.420 nan 0.000 0.217 819 P C 0.883 178.015 177.300 -0.281 0.000 1.150 819 P CA 0.955 63.865 63.100 -0.317 0.000 0.832 819 P CB -0.225 31.253 31.700 -0.371 0.000 0.787 820 Y N -1.006 119.223 120.300 -0.119 0.000 2.114 820 Y HA -0.176 4.375 4.550 0.001 0.000 0.284 820 Y C 2.503 178.365 175.900 -0.064 0.000 1.143 820 Y CA 0.922 58.988 58.100 -0.058 0.000 1.135 820 Y CB -1.332 37.217 38.460 0.149 0.000 0.980 820 Y HN -0.217 nan 8.280 nan 0.000 0.499 821 V N 0.692 120.685 119.914 0.130 0.000 2.332 821 V HA -0.326 3.795 4.120 0.001 0.000 0.248 821 V C 2.490 178.596 176.094 0.019 0.000 1.055 821 V CA 2.341 64.694 62.300 0.089 0.000 1.038 821 V CB -0.452 31.563 31.823 0.321 0.000 0.651 821 V HN 0.433 nan 8.190 nan 0.000 0.450 822 R N 0.054 120.494 120.500 -0.099 0.000 2.080 822 R HA -0.158 4.182 4.340 0.001 0.000 0.236 822 R C 2.269 178.457 176.300 -0.186 0.000 1.137 822 R CA 2.686 58.681 56.100 -0.175 0.000 0.943 822 R CB -0.607 29.541 30.300 -0.255 0.000 0.846 822 R HN 0.625 nan 8.270 nan 0.000 0.431 823 V N -1.167 118.610 119.914 -0.229 0.000 2.407 823 V HA -0.168 3.952 4.120 0.001 0.000 0.248 823 V C 2.234 178.189 176.094 -0.231 0.000 1.055 823 V CA 1.726 63.853 62.300 -0.288 0.000 1.049 823 V CB -0.693 30.902 31.823 -0.379 0.000 0.662 823 V HN 0.301 nan 8.190 nan 0.000 0.455 824 I N 2.347 122.821 120.570 -0.161 0.000 2.208 824 I HA -0.240 3.930 4.170 0.001 0.000 0.245 824 I C 2.935 178.946 176.117 -0.177 0.000 1.097 824 I CA 2.299 63.474 61.300 -0.208 0.000 1.363 824 I CB -0.778 37.066 38.000 -0.260 0.000 1.051 824 I HN 0.589 nan 8.210 nan 0.000 0.413 825 T N -1.922 112.579 114.554 -0.088 0.000 2.915 825 T HA -0.182 4.168 4.350 0.001 0.000 0.269 825 T C 1.679 176.307 174.700 -0.119 0.000 1.071 825 T CA 0.907 62.980 62.100 -0.046 0.000 1.132 825 T CB -0.323 68.560 68.868 0.024 0.000 0.878 825 T HN 0.426 nan 8.240 nan 0.000 0.479 826 Q N -0.061 119.629 119.800 -0.183 0.000 2.369 826 Q HA 0.155 4.496 4.340 0.001 0.000 0.206 826 Q C 1.644 177.486 176.000 -0.262 0.000 0.963 826 Q CA 0.671 56.360 55.803 -0.189 0.000 0.894 826 Q CB -0.102 28.521 28.738 -0.192 0.000 0.965 826 Q HN 0.412 nan 8.270 nan 0.000 0.475 827 L N -2.193 118.758 121.223 -0.453 0.000 2.388 827 L HA 0.098 4.439 4.340 0.001 0.000 0.209 827 L C 0.850 177.213 176.870 -0.846 0.000 1.061 827 L CA 1.265 55.629 54.840 -0.795 0.000 0.834 827 L CB 0.394 41.663 42.059 -1.316 0.000 1.029 827 L HN 0.131 nan 8.230 nan 0.000 0.473 828 F N -2.579 117.347 119.950 -0.040 0.000 2.856 828 F HA 0.362 4.889 4.527 0.001 0.000 0.338 828 F C 2.064 177.857 175.800 -0.011 0.000 1.100 828 F CA 0.152 58.158 58.000 0.009 0.000 1.150 828 F CB -0.771 38.270 39.000 0.068 0.000 1.101 828 F HN -0.075 nan 8.300 nan 0.000 0.548 829 G N 1.865 110.707 108.800 0.070 0.000 2.679 829 G HA2 -0.388 3.573 3.960 0.001 0.000 0.222 829 G HA3 -0.388 3.573 3.960 0.001 0.000 0.222 829 G C 1.650 176.579 174.900 0.050 0.000 1.164 829 G CA 1.779 46.911 45.100 0.052 0.000 0.769 829 G HN 0.450 nan 8.290 nan 0.000 0.610 830 E N 1.507 121.732 120.200 0.043 0.000 2.463 830 E HA -0.178 4.173 4.350 0.001 0.000 0.201 830 E C 1.839 178.456 176.600 0.028 0.000 1.045 830 E CA 1.181 57.597 56.400 0.027 0.000 0.872 830 E CB -0.262 29.454 29.700 0.027 0.000 0.797 830 E HN 0.758 nan 8.360 nan 0.000 0.538 831 R N 0.495 121.036 120.500 0.069 0.000 2.592 831 R HA 0.323 4.664 4.340 0.001 0.000 0.439 831 R C 0.586 176.938 176.300 0.088 0.000 0.995 831 R CA -0.318 55.823 56.100 0.069 0.000 1.141 831 R CB -0.265 30.114 30.300 0.131 0.000 1.495 831 R HN 0.113 nan 8.270 nan 0.000 0.579 832 M N -0.538 119.093 119.600 0.052 0.000 2.537 832 M HA 0.559 5.039 4.480 0.001 0.000 0.324 832 M C -1.514 174.758 176.300 -0.046 0.000 1.187 832 M CA -0.653 54.716 55.300 0.115 0.000 0.993 832 M CB 1.460 34.143 32.600 0.138 0.000 1.666 832 M HN -0.181 nan 8.290 nan 0.000 0.461 833 F N 2.008 121.982 119.950 0.040 0.000 2.458 833 F HA 0.686 5.214 4.527 0.001 0.000 0.330 833 F C -0.343 175.379 175.800 -0.130 0.000 1.082 833 F CA -0.555 57.409 58.000 -0.060 0.000 0.995 833 F CB 1.893 40.844 39.000 -0.081 0.000 1.170 833 F HN 0.478 nan 8.300 nan 0.000 0.478 834 I N 2.606 123.118 120.570 -0.096 0.000 2.468 834 I HA 0.437 4.608 4.170 0.001 0.000 0.285 834 I C -0.824 175.012 176.117 -0.468 0.000 1.039 834 I CA -0.782 60.286 61.300 -0.386 0.000 1.074 834 I CB 1.757 39.369 38.000 -0.647 0.000 1.228 834 I HN 0.634 nan 8.210 nan 0.000 0.436 835 A N 5.936 128.546 122.820 -0.351 0.000 2.280 835 A HA 0.439 4.759 4.320 0.001 0.000 0.320 835 A C -0.499 176.905 177.584 -0.301 0.000 1.366 835 A CA -0.480 51.410 52.037 -0.245 0.000 0.938 835 A CB 0.194 19.114 19.000 -0.134 0.000 1.157 835 A HN 0.692 nan 8.150 nan 0.000 0.536 836 N N 2.100 120.506 118.700 -0.490 0.000 2.425 836 N HA 0.506 5.247 4.740 0.001 0.000 0.268 836 N C 0.027 175.342 175.510 -0.325 0.000 0.991 836 N CA -0.001 52.796 53.050 -0.422 0.000 0.931 836 N CB 1.779 39.892 38.487 -0.623 0.000 1.130 836 N HN 0.696 nan 8.380 nan 0.000 0.493 837 A N 2.570 125.178 122.820 -0.353 0.000 2.425 837 A HA 0.257 4.577 4.320 0.001 0.000 0.242 837 A C 0.433 178.014 177.584 -0.004 0.000 1.077 837 A CA 0.006 51.861 52.037 -0.303 0.000 0.781 837 A CB -0.014 18.582 19.000 -0.675 0.000 1.020 837 A HN 0.633 nan 8.150 nan 0.000 0.494 838 T N 1.062 115.715 114.554 0.166 0.000 2.930 838 T HA 0.531 4.882 4.350 0.001 0.000 0.306 838 T C 0.703 175.447 174.700 0.072 0.000 1.045 838 T CA 0.956 63.120 62.100 0.107 0.000 1.134 838 T CB 0.696 69.611 68.868 0.079 0.000 0.961 838 T HN 1.728 nan 8.240 nan 0.000 0.545 839 G N 0.208 108.998 108.800 -0.016 0.000 2.345 839 G HA2 0.105 4.066 3.960 0.001 0.000 0.285 839 G HA3 0.105 4.066 3.960 0.001 0.000 0.285 839 G C 0.808 175.689 174.900 -0.031 0.000 1.297 839 G CA -0.264 44.825 45.100 -0.018 0.000 0.875 839 G HN 0.672 nan 8.290 nan 0.000 0.506 840 C N 0.447 119.755 119.300 0.013 0.000 2.391 840 C HA -0.083 4.378 4.460 0.001 0.000 0.276 840 C C 3.416 178.192 174.990 -0.356 0.000 1.217 840 C CA 2.846 61.875 59.018 0.019 0.000 1.766 840 C CB -1.308 26.554 27.740 0.204 0.000 2.046 840 C HN 1.081 nan 8.230 nan 0.000 0.475 841 S N 0.945 116.401 115.700 -0.407 0.000 2.419 841 S HA -0.139 4.332 4.470 0.001 0.000 0.233 841 S C 1.674 175.821 174.600 -0.756 0.000 1.016 841 S CA 1.684 59.250 58.200 -1.058 0.000 0.974 841 S CB -0.603 62.435 63.200 -0.271 0.000 0.786 841 S HN 0.806 nan 8.310 nan 0.000 0.492 842 S N 1.076 116.646 115.700 -0.216 0.000 2.478 842 S HA 0.206 4.676 4.470 0.001 0.000 0.222 842 S C 1.722 176.305 174.600 -0.029 0.000 1.008 842 S CA 0.064 58.334 58.200 0.116 0.000 0.928 842 S CB -0.420 62.886 63.200 0.178 0.000 0.781 842 S HN 0.394 nan 8.310 nan 0.000 0.518 843 I N 2.016 122.510 120.570 -0.126 0.000 2.400 843 I HA 0.038 4.209 4.170 0.001 0.000 0.248 843 I C 2.533 178.677 176.117 0.045 0.000 1.109 843 I CA 0.742 62.025 61.300 -0.029 0.000 1.425 843 I CB -1.542 36.468 38.000 0.017 0.000 1.094 843 I HN 0.656 nan 8.210 nan 0.000 0.425 844 W N 0.934 122.285 121.300 0.084 0.000 2.770 844 W HA 0.213 4.873 4.660 0.001 0.000 0.256 844 W C 1.745 178.271 176.519 0.012 0.000 1.291 844 W CA 0.654 58.031 57.345 0.052 0.000 1.396 844 W CB -1.202 28.288 29.460 0.051 0.000 1.114 844 W HN 0.086 nan 8.180 nan 0.000 0.637 845 G N 1.209 109.962 108.800 -0.077 0.000 2.430 845 G HA2 0.177 4.137 3.960 0.001 0.000 0.216 845 G HA3 0.177 4.137 3.960 0.001 0.000 0.216 845 G C 0.966 175.631 174.900 -0.392 0.000 1.146 845 G CA 1.018 46.041 45.100 -0.128 0.000 0.793 845 G HN 0.314 nan 8.290 nan 0.000 0.537 846 A N -0.219 122.397 122.820 -0.341 0.000 3.214 846 A HA 0.579 4.900 4.320 0.001 0.000 0.203 846 A C 0.027 177.512 177.584 -0.165 0.000 0.960 846 A CA -0.277 51.552 52.037 -0.348 0.000 1.113 846 A CB 0.033 18.642 19.000 -0.651 0.000 1.280 846 A HN 0.028 nan 8.150 nan 0.000 0.573 847 S N 1.871 117.525 115.700 -0.077 0.000 2.400 847 S HA 0.522 4.992 4.470 0.001 0.000 0.295 847 S C 0.862 175.408 174.600 -0.091 0.000 1.113 847 S CA 0.174 58.348 58.200 -0.044 0.000 1.064 847 S CB 0.647 63.867 63.200 0.033 0.000 0.990 847 S HN 1.165 nan 8.310 nan 0.000 0.502 848 A N 5.507 128.203 122.820 -0.207 0.000 2.561 848 A HA 0.250 4.571 4.320 0.001 0.000 0.234 848 A C -0.984 176.563 177.584 -0.062 0.000 1.055 848 A CA -0.636 51.197 52.037 -0.341 0.000 0.756 848 A CB -0.078 18.627 19.000 -0.493 0.000 0.986 848 A HN 0.629 nan 8.150 nan 0.000 0.505 849 P HA 0.105 nan 4.420 nan 0.000 0.266 849 P C 0.089 177.524 177.300 0.225 0.000 1.381 849 P CA 0.073 63.267 63.100 0.157 0.000 0.940 849 P CB 0.313 32.218 31.700 0.342 0.000 1.435 850 S N 1.409 117.195 115.700 0.143 0.000 2.416 850 S HA 0.453 4.924 4.470 0.001 0.000 0.287 850 S C 0.117 174.792 174.600 0.125 0.000 1.139 850 S CA -0.474 57.841 58.200 0.192 0.000 1.058 850 S CB -0.343 62.967 63.200 0.184 0.000 0.967 850 S HN -0.102 nan 8.310 nan 0.000 0.495 851 M N 8.288 127.989 119.600 0.169 0.000 2.036 851 M HA 0.315 4.796 4.480 0.001 0.000 0.337 851 M C -1.839 174.512 176.300 0.085 0.000 1.012 851 M CA -2.691 52.668 55.300 0.098 0.000 0.962 851 M CB 1.121 33.806 32.600 0.142 0.000 1.423 851 M HN 0.401 nan 8.290 nan 0.000 0.405 852 P HA -0.122 nan 4.420 nan 0.000 0.219 852 P C 0.029 177.222 177.300 -0.178 0.000 1.150 852 P CA 1.121 64.173 63.100 -0.081 0.000 0.814 852 P CB 0.064 31.701 31.700 -0.105 0.000 0.787 853 Y N 1.909 122.165 120.300 -0.073 0.000 2.497 853 Y HA 0.105 4.656 4.550 0.001 0.000 0.334 853 Y C 1.595 177.465 175.900 -0.051 0.000 1.199 853 Y CA 0.359 58.424 58.100 -0.059 0.000 1.425 853 Y CB 0.395 38.817 38.460 -0.063 0.000 1.291 853 Y HN 0.042 nan 8.280 nan 0.000 0.562 854 K N -0.787 119.661 120.400 0.081 0.000 2.469 854 K HA 0.730 5.050 4.320 0.001 0.000 0.268 854 K C -1.007 175.611 176.600 0.030 0.000 1.027 854 K CA -1.125 55.179 56.287 0.028 0.000 0.893 854 K CB 1.436 33.906 32.500 -0.051 0.000 1.460 854 K HN 0.507 nan 8.250 nan 0.000 0.449 855 T N -1.186 113.375 114.554 0.013 0.000 2.927 855 T HA 0.308 4.659 4.350 0.001 0.000 0.281 855 T C 0.180 174.875 174.700 -0.009 0.000 0.998 855 T CA -0.773 61.331 62.100 0.006 0.000 1.019 855 T CB 0.662 69.534 68.868 0.006 0.000 1.061 855 T HN 0.739 nan 8.240 nan 0.000 0.518 856 N N 0.449 119.144 118.700 -0.009 0.000 2.431 856 N HA 0.178 4.919 4.740 0.001 0.000 0.289 856 N C 1.328 176.831 175.510 -0.011 0.000 1.277 856 N CA -1.007 52.034 53.050 -0.016 0.000 0.972 856 N CB 0.223 38.702 38.487 -0.013 0.000 1.143 856 N HN 0.828 nan 8.380 nan 0.000 0.578 857 R N -1.569 118.924 120.500 -0.012 0.000 2.241 857 R HA -0.009 4.331 4.340 0.001 0.000 0.224 857 R C 0.287 176.585 176.300 -0.005 0.000 1.101 857 R CA 0.921 57.016 56.100 -0.009 0.000 0.995 857 R CB -0.527 29.766 30.300 -0.011 0.000 0.870 857 R HN 0.326 nan 8.270 nan 0.000 0.463 858 L N 0.530 121.751 121.223 -0.004 0.000 2.628 858 L HA 0.338 4.678 4.340 0.001 0.000 0.229 858 L C 1.118 177.985 176.870 -0.005 0.000 1.137 858 L CA 0.904 55.742 54.840 -0.003 0.000 0.909 858 L CB 0.349 42.408 42.059 -0.000 0.000 1.137 858 L HN 0.563 nan 8.230 nan 0.000 0.470 859 G N -0.613 108.185 108.800 -0.004 0.000 2.148 859 G HA2 -0.297 3.663 3.960 0.001 0.000 0.254 859 G HA3 -0.297 3.663 3.960 0.001 0.000 0.254 859 G C 0.418 175.312 174.900 -0.011 0.000 0.981 859 G CA 0.054 45.151 45.100 -0.005 0.000 0.670 859 G HN 0.432 nan 8.290 nan 0.000 0.528 860 Q N -0.331 119.462 119.800 -0.011 0.000 2.230 860 Q HA 0.636 4.977 4.340 0.001 0.000 0.253 860 Q C 0.448 176.441 176.000 -0.011 0.000 0.919 860 Q CA 0.065 55.858 55.803 -0.017 0.000 0.908 860 Q CB 2.028 30.760 28.738 -0.010 0.000 1.245 860 Q HN 0.767 nan 8.270 nan 0.000 0.437 861 G N 1.585 110.373 108.800 -0.020 0.000 2.559 861 G HA2 0.425 4.386 3.960 0.001 0.000 0.291 861 G HA3 0.425 4.386 3.960 0.001 0.000 0.291 861 G C -3.082 171.806 174.900 -0.021 0.000 1.424 861 G CA -1.086 44.016 45.100 0.002 0.000 0.786 861 G HN 0.294 nan 8.290 nan 0.000 0.485 862 P HA 0.393 nan 4.420 nan 0.000 0.267 862 P C -0.101 177.158 177.300 -0.067 0.000 1.209 862 P CA 0.172 63.253 63.100 -0.031 0.000 0.763 862 P CB 1.067 32.786 31.700 0.032 0.000 0.816 863 A N 4.134 126.855 122.820 -0.165 0.000 2.437 863 A HA 0.231 4.551 4.320 0.001 0.000 0.303 863 A C -0.845 176.723 177.584 -0.026 0.000 1.324 863 A CA -0.380 51.579 52.037 -0.131 0.000 0.983 863 A CB -0.611 18.179 19.000 -0.350 0.000 1.142 863 A HN 0.624 nan 8.150 nan 0.000 0.541 864 W N 2.729 123.924 121.300 -0.176 0.000 2.469 864 W HA 0.578 5.239 4.660 0.001 0.000 0.320 864 W C 0.287 176.773 176.519 -0.055 0.000 1.086 864 W CA 0.294 57.513 57.345 -0.209 0.000 1.211 864 W CB 1.782 31.007 29.460 -0.390 0.000 1.298 864 W HN 0.855 nan 8.180 nan 0.000 0.525 865 G N 3.731 112.302 108.800 -0.380 0.000 2.746 865 G HA2 0.290 4.250 3.960 0.001 0.000 0.297 865 G HA3 0.290 4.250 3.960 0.001 0.000 0.297 865 G C -2.161 172.410 174.900 -0.547 0.000 1.426 865 G CA -0.988 44.019 45.100 -0.155 0.000 0.989 865 G HN 0.443 nan 8.290 nan 0.000 0.520 866 N N 0.700 119.203 118.700 -0.329 0.000 2.443 866 N HA 0.487 5.228 4.740 0.001 0.000 0.269 866 N C 0.666 175.994 175.510 -0.303 0.000 0.985 866 N CA -0.158 52.689 53.050 -0.339 0.000 0.921 866 N CB 2.357 40.786 38.487 -0.096 0.000 1.195 866 N HN 0.321 nan 8.380 nan 0.000 0.492 867 S N 3.425 118.781 115.700 -0.573 0.000 2.339 867 S HA 0.484 4.954 4.470 0.001 0.000 0.189 867 S C 0.269 174.693 174.600 -0.293 0.000 0.966 867 S CA 0.288 58.087 58.200 -0.668 0.000 0.925 867 S CB -0.170 62.292 63.200 -1.230 0.000 0.890 867 S HN 0.498 nan 8.310 nan 0.000 0.539 868 L N -0.929 120.165 121.223 -0.215 0.000 2.194 868 L HA 0.496 4.837 4.340 0.001 0.000 0.248 868 L C 0.432 177.359 176.870 0.096 0.000 1.071 868 L CA -0.719 54.103 54.840 -0.030 0.000 0.901 868 L CB 0.697 42.753 42.059 -0.006 0.000 1.497 868 L HN 0.353 nan 8.230 nan 0.000 0.442 869 F N 1.366 121.330 119.950 0.023 0.000 2.187 869 F HA -0.064 4.463 4.527 0.001 0.000 0.295 869 F C 2.278 178.218 175.800 0.234 0.000 1.091 869 F CA 1.541 59.610 58.000 0.114 0.000 1.308 869 F CB -0.023 39.081 39.000 0.172 0.000 1.030 869 F HN 0.636 nan 8.300 nan 0.000 0.487 870 E N 0.041 120.313 120.200 0.120 0.000 2.427 870 E HA -0.125 4.226 4.350 0.001 0.000 0.196 870 E C 0.453 177.138 176.600 0.142 0.000 1.028 870 E CA 1.181 57.609 56.400 0.046 0.000 0.864 870 E CB -0.735 28.970 29.700 0.008 0.000 0.813 870 E HN 0.578 nan 8.360 nan 0.000 0.514 871 D N 0.161 120.635 120.400 0.122 0.000 2.501 871 D HA 0.257 4.898 4.640 0.001 0.000 0.224 871 D C 1.395 177.789 176.300 0.156 0.000 1.202 871 D CA 0.348 54.425 54.000 0.127 0.000 0.829 871 D CB 0.429 41.257 40.800 0.048 0.000 1.023 871 D HN 0.104 nan 8.370 nan 0.000 0.499 872 A N 1.155 124.032 122.820 0.096 0.000 1.917 872 A HA -0.049 4.271 4.320 0.001 0.000 0.219 872 A C 2.386 180.063 177.584 0.155 0.000 1.182 872 A CA 2.384 54.389 52.037 -0.053 0.000 0.633 872 A CB -0.884 17.685 19.000 -0.718 0.000 0.819 872 A HN 0.400 nan 8.150 nan 0.000 0.448 873 A N 0.494 123.552 122.820 0.395 0.000 1.873 873 A HA -0.158 4.162 4.320 0.001 0.000 0.215 873 A C 1.957 179.696 177.584 0.259 0.000 1.186 873 A CA 1.712 53.970 52.037 0.368 0.000 0.616 873 A CB -0.544 18.705 19.000 0.415 0.000 0.823 873 A HN 0.670 nan 8.150 nan 0.000 0.442 874 E N -1.012 119.326 120.200 0.231 0.000 2.153 874 E HA -0.244 4.107 4.350 0.001 0.000 0.194 874 E C 1.891 178.666 176.600 0.292 0.000 0.988 874 E CA 1.507 58.045 56.400 0.231 0.000 0.811 874 E CB -0.758 29.030 29.700 0.148 0.000 0.746 874 E HN 0.691 nan 8.360 nan 0.000 0.466 875 Y N 2.552 122.905 120.300 0.088 0.000 2.145 875 Y HA -0.029 4.521 4.550 0.001 0.000 0.286 875 Y C 2.603 178.511 175.900 0.013 0.000 1.145 875 Y CA 1.725 59.842 58.100 0.028 0.000 1.148 875 Y CB -0.834 37.608 38.460 -0.030 0.000 0.981 875 Y HN 0.074 nan 8.280 nan 0.000 0.507 876 G N -0.794 108.010 108.800 0.006 0.000 2.422 876 G HA2 -0.322 3.638 3.960 0.001 0.000 0.218 876 G HA3 -0.322 3.638 3.960 0.001 0.000 0.218 876 G C 1.705 176.574 174.900 -0.052 0.000 1.146 876 G CA 0.754 45.786 45.100 -0.113 0.000 0.769 876 G HN 0.477 nan 8.290 nan 0.000 0.547 877 F N 2.523 122.434 119.950 -0.065 0.000 2.126 877 F HA -0.017 4.511 4.527 0.001 0.000 0.299 877 F C 2.527 178.274 175.800 -0.089 0.000 1.096 877 F CA 1.532 59.497 58.000 -0.059 0.000 1.255 877 F CB -0.460 38.540 39.000 0.000 0.000 0.997 877 F HN 0.112 nan 8.300 nan 0.000 0.479 878 G N 0.058 108.821 108.800 -0.060 0.000 2.408 878 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 878 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 878 G C 1.665 176.403 174.900 -0.269 0.000 1.150 878 G CA 0.938 45.945 45.100 -0.155 0.000 0.776 878 G HN 0.396 nan 8.290 nan 0.000 0.542 879 M N 0.787 120.182 119.600 -0.341 0.000 2.117 879 M HA -0.082 4.399 4.480 0.001 0.000 0.262 879 M C 2.458 178.470 176.300 -0.481 0.000 1.065 879 M CA 1.337 56.353 55.300 -0.473 0.000 1.114 879 M CB -0.439 31.786 32.600 -0.625 0.000 1.361 879 M HN 0.317 nan 8.290 nan 0.000 0.408 880 N N 1.058 119.508 118.700 -0.418 0.000 2.120 880 N HA -0.164 4.576 4.740 0.001 0.000 0.188 880 N C 1.612 176.934 175.510 -0.313 0.000 1.024 880 N CA 1.558 54.393 53.050 -0.358 0.000 0.852 880 N CB -0.088 38.198 38.487 -0.334 0.000 1.003 880 N HN 0.397 nan 8.380 nan 0.000 0.424 881 M N 0.147 119.505 119.600 -0.404 0.000 2.117 881 M HA -0.113 4.368 4.480 0.001 0.000 0.262 881 M C 2.537 178.775 176.300 -0.103 0.000 1.065 881 M CA 1.320 56.450 55.300 -0.282 0.000 1.114 881 M CB -0.310 32.086 32.600 -0.340 0.000 1.361 881 M HN 0.168 nan 8.290 nan 0.000 0.408 882 S N 0.409 116.020 115.700 -0.148 0.000 2.348 882 S HA -0.144 4.327 4.470 0.001 0.000 0.221 882 S C 1.986 176.549 174.600 -0.062 0.000 1.033 882 S CA 1.180 59.324 58.200 -0.093 0.000 1.010 882 S CB -0.003 63.122 63.200 -0.124 0.000 0.891 882 S HN 0.294 nan 8.310 nan 0.000 0.442 883 M N 0.397 119.930 119.600 -0.112 0.000 2.149 883 M HA -0.016 4.465 4.480 0.001 0.000 0.261 883 M C 1.971 178.282 176.300 0.019 0.000 1.064 883 M CA 1.294 56.566 55.300 -0.046 0.000 1.102 883 M CB -1.647 30.898 32.600 -0.092 0.000 1.369 883 M HN 0.534 nan 8.290 nan 0.000 0.408 884 F N 1.042 120.931 119.950 -0.101 0.000 2.102 884 F HA -0.123 4.404 4.527 0.001 0.000 0.298 884 F C 2.338 178.122 175.800 -0.028 0.000 1.105 884 F CA 1.794 59.752 58.000 -0.070 0.000 1.239 884 F CB -0.444 38.488 39.000 -0.113 0.000 0.991 884 F HN 0.119 nan 8.300 nan 0.000 0.474 885 A N 0.598 123.399 122.820 -0.032 0.000 1.898 885 A HA -0.150 4.171 4.320 0.001 0.000 0.216 885 A C 2.323 179.864 177.584 -0.072 0.000 1.181 885 A CA 1.655 53.640 52.037 -0.087 0.000 0.620 885 A CB -0.661 18.350 19.000 0.018 0.000 0.819 885 A HN 0.466 nan 8.150 nan 0.000 0.442 886 R N -0.798 119.693 120.500 -0.015 0.000 2.090 886 R HA 0.010 4.350 4.340 0.001 0.000 0.228 886 R C 2.260 178.587 176.300 0.045 0.000 1.110 886 R CA 1.215 57.343 56.100 0.046 0.000 0.973 886 R CB -0.213 30.112 30.300 0.042 0.000 0.869 886 R HN 0.448 nan 8.270 nan 0.000 0.440 887 R N -0.357 120.151 120.500 0.013 0.000 2.193 887 R HA 0.027 4.368 4.340 0.001 0.000 0.213 887 R C 1.715 178.042 176.300 0.045 0.000 1.055 887 R CA 1.064 57.218 56.100 0.090 0.000 0.995 887 R CB 0.041 30.419 30.300 0.129 0.000 0.893 887 R HN 0.129 nan 8.270 nan 0.000 0.459 888 T N -0.451 114.016 114.554 -0.146 0.000 2.942 888 T HA -0.118 4.232 4.350 0.001 0.000 0.265 888 T C 1.526 176.229 174.700 0.005 0.000 1.062 888 T CA 0.924 62.911 62.100 -0.189 0.000 1.139 888 T CB -0.148 68.442 68.868 -0.463 0.000 0.883 888 T HN 0.453 nan 8.240 nan 0.000 0.468 889 H N 0.401 119.420 119.070 -0.085 0.000 2.321 889 H HA -0.053 4.504 4.556 0.001 0.000 0.300 889 H C 2.352 177.673 175.328 -0.011 0.000 1.087 889 H CA 1.081 57.103 56.048 -0.044 0.000 1.319 889 H CB -0.099 29.639 29.762 -0.040 0.000 1.379 889 H HN 0.168 nan 8.280 nan 0.000 0.501 890 L N 1.231 122.464 121.223 0.016 0.000 2.012 890 L HA -0.121 4.220 4.340 0.001 0.000 0.210 890 L C 2.562 179.455 176.870 0.038 0.000 1.073 890 L CA 2.037 56.832 54.840 -0.074 0.000 0.748 890 L CB -1.071 40.945 42.059 -0.071 0.000 0.891 890 L HN 0.364 nan 8.230 nan 0.000 0.431 891 A N -0.808 122.143 122.820 0.217 0.000 1.933 891 A HA -0.233 4.088 4.320 0.001 0.000 0.218 891 A C 1.942 179.610 177.584 0.139 0.000 1.175 891 A CA 1.945 54.165 52.037 0.305 0.000 0.628 891 A CB -0.937 18.195 19.000 0.219 0.000 0.814 891 A HN 0.557 nan 8.150 nan 0.000 0.444 892 D N -0.472 119.985 120.400 0.095 0.000 2.144 892 D HA -0.080 4.561 4.640 0.001 0.000 0.200 892 D C 1.651 177.987 176.300 0.060 0.000 0.978 892 D CA 0.777 54.819 54.000 0.071 0.000 0.833 892 D CB -0.191 40.656 40.800 0.079 0.000 0.961 892 D HN 0.281 nan 8.370 nan 0.000 0.470 893 L N 0.528 121.780 121.223 0.049 0.000 2.093 893 L HA 0.007 4.348 4.340 0.001 0.000 0.208 893 L C 2.285 179.149 176.870 -0.010 0.000 1.085 893 L CA 1.086 55.929 54.840 0.005 0.000 0.755 893 L CB -1.022 40.999 42.059 -0.063 0.000 0.904 893 L HN -0.031 nan 8.230 nan 0.000 0.435 894 A N -0.567 122.252 122.820 -0.002 0.000 1.877 894 A HA -0.131 4.189 4.320 0.001 0.000 0.216 894 A C 2.517 180.114 177.584 0.022 0.000 1.186 894 A CA 1.753 53.790 52.037 0.001 0.000 0.620 894 A CB -0.942 18.098 19.000 0.067 0.000 0.822 894 A HN 0.366 nan 8.150 nan 0.000 0.443 895 A N -0.123 122.721 122.820 0.040 0.000 1.883 895 A HA -0.200 4.120 4.320 0.001 0.000 0.217 895 A C 2.123 179.714 177.584 0.012 0.000 1.186 895 A CA 1.920 53.972 52.037 0.025 0.000 0.624 895 A CB -0.482 18.534 19.000 0.026 0.000 0.822 895 A HN 0.549 nan 8.150 nan 0.000 0.444 896 K N -0.448 119.959 120.400 0.013 0.000 2.097 896 K HA -0.043 4.278 4.320 0.001 0.000 0.206 896 K C 2.215 178.816 176.600 0.001 0.000 1.049 896 K CA 1.037 57.328 56.287 0.007 0.000 0.933 896 K CB -0.314 32.193 32.500 0.011 0.000 0.717 896 K HN 0.448 nan 8.250 nan 0.000 0.442 897 A N 1.317 124.134 122.820 -0.005 0.000 2.019 897 A HA -0.096 4.225 4.320 0.001 0.000 0.219 897 A C 1.997 179.576 177.584 -0.009 0.000 1.164 897 A CA 1.051 53.081 52.037 -0.011 0.000 0.644 897 A CB -0.511 18.475 19.000 -0.023 0.000 0.805 897 A HN 0.172 nan 8.150 nan 0.000 0.449 898 L N -0.800 120.420 121.223 -0.005 0.000 2.275 898 L HA -0.114 4.227 4.340 0.001 0.000 0.215 898 L C 1.431 178.298 176.870 -0.005 0.000 1.119 898 L CA 0.998 55.834 54.840 -0.005 0.000 0.790 898 L CB -0.271 41.785 42.059 -0.004 0.000 0.919 898 L HN 0.446 nan 8.230 nan 0.000 0.443 899 E N -0.562 119.636 120.200 -0.003 0.000 2.370 899 E HA 0.057 4.407 4.350 0.001 0.000 0.194 899 E C 0.479 177.077 176.600 -0.003 0.000 1.057 899 E CA -0.214 56.184 56.400 -0.003 0.000 1.011 899 E CB 0.394 30.093 29.700 -0.002 0.000 1.132 899 E HN 0.381 nan 8.360 nan 0.000 0.450 900 S N 0.138 115.836 115.700 -0.004 0.000 2.801 900 S HA 0.170 4.641 4.470 0.001 0.000 0.312 900 S C 0.475 175.073 174.600 -0.004 0.000 1.112 900 S CA -0.800 57.398 58.200 -0.004 0.000 0.943 900 S CB 1.050 64.247 63.200 -0.006 0.000 1.269 900 S HN 0.085 nan 8.310 nan 0.000 0.558 901 D N 0.150 120.548 120.400 -0.004 0.000 2.370 901 D HA 0.302 4.942 4.640 0.001 0.000 0.230 901 D C 0.712 177.010 176.300 -0.003 0.000 1.143 901 D CA -0.273 53.725 54.000 -0.003 0.000 0.834 901 D CB -0.755 40.043 40.800 -0.002 0.000 0.944 901 D HN 0.714 nan 8.370 nan 0.000 0.504 902 A N 0.853 123.670 122.820 -0.005 0.000 2.507 902 A HA 0.365 4.686 4.320 0.001 0.000 0.235 902 A C 0.973 178.555 177.584 -0.003 0.000 1.070 902 A CA -0.026 52.008 52.037 -0.006 0.000 0.768 902 A CB 0.072 19.067 19.000 -0.009 0.000 1.011 902 A HN 0.444 nan 8.150 nan 0.000 0.502 903 S N 1.188 116.887 115.700 -0.002 0.000 2.580 903 S HA 0.305 4.775 4.470 0.001 0.000 0.266 903 S C 1.402 176.004 174.600 0.003 0.000 1.354 903 S CA -0.112 58.089 58.200 0.001 0.000 1.008 903 S CB 0.661 63.863 63.200 0.003 0.000 0.898 903 S HN 1.461 nan 8.310 nan 0.000 0.555 904 G N 0.578 109.382 108.800 0.006 0.000 2.422 904 G HA2 -0.165 3.796 3.960 0.001 0.000 0.218 904 G HA3 -0.165 3.796 3.960 0.001 0.000 0.218 904 G C 0.872 175.781 174.900 0.015 0.000 1.146 904 G CA 0.789 45.894 45.100 0.009 0.000 0.769 904 G HN 0.751 nan 8.290 nan 0.000 0.547 905 D N 0.135 120.545 120.400 0.017 0.000 2.117 905 D HA -0.063 4.578 4.640 0.001 0.000 0.198 905 D C 2.772 179.088 176.300 0.027 0.000 0.982 905 D CA 0.519 54.535 54.000 0.026 0.000 0.828 905 D CB -0.429 40.384 40.800 0.022 0.000 0.967 905 D HN 0.186 nan 8.370 nan 0.000 0.464 906 V N 1.155 121.077 119.914 0.014 0.000 2.295 906 V HA -0.237 3.884 4.120 0.001 0.000 0.246 906 V C 2.302 178.397 176.094 0.002 0.000 1.049 906 V CA 1.572 63.875 62.300 0.004 0.000 1.024 906 V CB -0.332 31.487 31.823 -0.006 0.000 0.648 906 V HN 0.193 nan 8.190 nan 0.000 0.447 907 K N -0.265 120.137 120.400 0.002 0.000 2.057 907 K HA -0.244 4.076 4.320 0.001 0.000 0.207 907 K C 2.226 178.826 176.600 -0.000 0.000 1.049 907 K CA 1.736 58.021 56.287 -0.002 0.000 0.931 907 K CB -0.196 32.302 32.500 -0.003 0.000 0.714 907 K HN 0.573 nan 8.250 nan 0.000 0.440 908 E N 0.839 121.048 120.200 0.016 0.000 2.051 908 E HA -0.205 4.146 4.350 0.001 0.000 0.192 908 E C 1.971 178.596 176.600 0.041 0.000 0.991 908 E CA 1.128 57.544 56.400 0.026 0.000 0.799 908 E CB -0.040 29.695 29.700 0.059 0.000 0.748 908 E HN 0.303 nan 8.360 nan 0.000 0.449 909 A N 0.790 123.667 122.820 0.096 0.000 1.902 909 A HA -0.155 4.166 4.320 0.001 0.000 0.217 909 A C 2.088 179.717 177.584 0.075 0.000 1.181 909 A CA 1.007 53.158 52.037 0.190 0.000 0.623 909 A CB -0.523 18.557 19.000 0.133 0.000 0.818 909 A HN 0.310 nan 8.150 nan 0.000 0.443 910 L N -0.730 120.500 121.223 0.012 0.000 2.046 910 L HA -0.157 4.184 4.340 0.001 0.000 0.208 910 L C 2.572 179.452 176.870 0.017 0.000 1.077 910 L CA 2.226 57.071 54.840 0.008 0.000 0.747 910 L CB -0.983 41.067 42.059 -0.015 0.000 0.896 910 L HN 0.487 nan 8.230 nan 0.000 0.432 911 Q N -0.917 118.850 119.800 -0.055 0.000 2.079 911 Q HA -0.069 4.272 4.340 0.001 0.000 0.200 911 Q C 2.161 178.011 176.000 -0.249 0.000 0.974 911 Q CA 1.668 57.407 55.803 -0.106 0.000 0.840 911 Q CB -0.647 28.032 28.738 -0.098 0.000 0.898 911 Q HN 0.462 nan 8.270 nan 0.000 0.430 912 G N -0.594 107.909 108.800 -0.495 0.000 2.446 912 G HA2 -0.300 3.660 3.960 0.001 0.000 0.217 912 G HA3 -0.300 3.660 3.960 0.001 0.000 0.217 912 G C 1.153 175.618 174.900 -0.725 0.000 1.168 912 G CA 0.749 45.109 45.100 -1.232 0.000 0.771 912 G HN 0.559 nan 8.290 nan 0.000 0.551 913 W N 0.623 121.667 121.300 -0.427 0.000 2.358 913 W HA -0.002 4.658 4.660 0.001 0.000 0.303 913 W C 2.213 178.649 176.519 -0.139 0.000 1.208 913 W CA 0.957 58.213 57.345 -0.148 0.000 1.274 913 W CB -0.367 29.015 29.460 -0.131 0.000 1.138 913 W HN 0.130 nan 8.180 nan 0.000 0.515 914 L N 1.176 122.368 121.223 -0.052 0.000 2.042 914 L HA -0.139 4.201 4.340 0.001 0.000 0.210 914 L C 2.534 179.217 176.870 -0.312 0.000 1.076 914 L CA 2.476 57.206 54.840 -0.183 0.000 0.749 914 L CB -1.569 40.485 42.059 -0.008 0.000 0.893 914 L HN 0.133 nan 8.230 nan 0.000 0.432 915 A N -1.670 120.989 122.820 -0.269 0.000 2.016 915 A HA 0.156 4.476 4.320 0.001 0.000 0.217 915 A C 1.918 179.360 177.584 -0.237 0.000 1.162 915 A CA 1.173 53.074 52.037 -0.226 0.000 0.662 915 A CB -0.651 18.233 19.000 -0.194 0.000 0.812 915 A HN 0.439 nan 8.150 nan 0.000 0.450 916 G N -0.124 108.500 108.800 -0.293 0.000 3.863 916 G HA2 0.226 4.187 3.960 0.001 0.000 0.290 916 G HA3 0.226 4.187 3.960 0.001 0.000 0.290 916 G C 0.994 175.683 174.900 -0.351 0.000 1.018 916 G CA 0.453 45.419 45.100 -0.224 0.000 0.824 916 G HN 0.618 nan 8.290 nan 0.000 0.507 917 K N -0.063 119.936 120.400 -0.667 0.000 2.218 917 K HA -0.111 4.210 4.320 0.001 0.000 0.205 917 K C 1.115 177.492 176.600 -0.373 0.000 1.046 917 K CA 1.466 57.200 56.287 -0.922 0.000 0.933 917 K CB -0.208 31.457 32.500 -1.391 0.000 0.728 917 K HN 0.294 nan 8.250 nan 0.000 0.454 918 N N 0.773 119.328 118.700 -0.243 0.000 2.235 918 N HA -0.004 4.737 4.740 0.001 0.000 0.209 918 N C -0.950 174.523 175.510 -0.062 0.000 1.122 918 N CA -0.275 52.708 53.050 -0.111 0.000 0.845 918 N CB 0.414 38.845 38.487 -0.094 0.000 1.004 918 N HN 0.183 nan 8.380 nan 0.000 0.499 919 D N 0.472 120.835 120.400 -0.063 0.000 2.349 919 D HA 0.205 4.845 4.640 0.001 0.000 0.232 919 D C -1.882 174.438 176.300 0.034 0.000 1.071 919 D CA -2.515 51.479 54.000 -0.010 0.000 0.832 919 D CB 1.756 42.549 40.800 -0.011 0.000 1.086 919 D HN -0.132 nan 8.370 nan 0.000 0.504 920 P HA -0.132 nan 4.420 nan 0.000 0.217 920 P C 1.387 178.749 177.300 0.102 0.000 1.151 920 P CA 1.139 64.299 63.100 0.100 0.000 0.849 920 P CB 0.342 32.115 31.700 0.122 0.000 0.787 921 I N -1.279 119.342 120.570 0.085 0.000 2.188 921 I HA -0.166 4.004 4.170 0.001 0.000 0.237 921 I C 2.232 178.402 176.117 0.088 0.000 1.073 921 I CA 1.263 62.610 61.300 0.079 0.000 1.359 921 I CB -0.514 37.525 38.000 0.065 0.000 1.083 921 I HN -0.181 nan 8.210 nan 0.000 0.412 922 K N 1.090 121.550 120.400 0.100 0.000 2.097 922 K HA -0.112 4.209 4.320 0.001 0.000 0.206 922 K C 2.301 179.039 176.600 0.229 0.000 1.049 922 K CA 1.788 58.179 56.287 0.172 0.000 0.933 922 K CB -0.602 32.001 32.500 0.173 0.000 0.717 922 K HN 0.440 nan 8.250 nan 0.000 0.442 923 S N 1.149 116.933 115.700 0.141 0.000 2.382 923 S HA -0.177 4.294 4.470 0.001 0.000 0.228 923 S C 2.105 176.911 174.600 0.343 0.000 1.027 923 S CA 1.437 59.756 58.200 0.200 0.000 0.991 923 S CB -0.137 63.136 63.200 0.121 0.000 0.823 923 S HN 0.318 nan 8.310 nan 0.000 0.469 924 K N 1.389 121.924 120.400 0.225 0.000 2.062 924 K HA -0.076 4.244 4.320 0.001 0.000 0.205 924 K C 2.375 179.055 176.600 0.133 0.000 1.051 924 K CA 1.264 57.666 56.287 0.191 0.000 0.941 924 K CB -0.278 32.303 32.500 0.134 0.000 0.719 924 K HN 0.622 nan 8.250 nan 0.000 0.440 925 E N -0.318 119.925 120.200 0.071 0.000 2.023 925 E HA -0.238 4.113 4.350 0.001 0.000 0.196 925 E C 1.661 178.168 176.600 -0.155 0.000 1.003 925 E CA 1.653 58.000 56.400 -0.088 0.000 0.809 925 E CB -0.228 29.350 29.700 -0.204 0.000 0.755 925 E HN 0.443 nan 8.360 nan 0.000 0.449 926 Y N -0.146 120.217 120.300 0.105 0.000 2.373 926 Y HA 0.067 4.618 4.550 0.001 0.000 0.293 926 Y C 2.343 178.270 175.900 0.045 0.000 1.129 926 Y CA 0.818 58.973 58.100 0.091 0.000 1.226 926 Y CB -0.312 38.227 38.460 0.132 0.000 1.000 926 Y HN 0.215 nan 8.280 nan 0.000 0.549 927 G N -0.048 108.890 108.800 0.230 0.000 2.402 927 G HA2 -0.233 3.728 3.960 0.001 0.000 0.216 927 G HA3 -0.233 3.728 3.960 0.001 0.000 0.216 927 G C 1.194 176.189 174.900 0.159 0.000 1.162 927 G CA 1.278 46.419 45.100 0.069 0.000 0.777 927 G HN 0.253 nan 8.290 nan 0.000 0.539 928 D N 0.639 121.124 120.400 0.141 0.000 2.144 928 D HA -0.039 4.601 4.640 0.001 0.000 0.199 928 D C 2.467 178.802 176.300 0.058 0.000 0.984 928 D CA 0.792 54.853 54.000 0.101 0.000 0.834 928 D CB -0.102 40.732 40.800 0.056 0.000 0.955 928 D HN 0.315 nan 8.370 nan 0.000 0.465 929 K N -0.078 120.336 120.400 0.023 0.000 2.097 929 K HA -0.075 4.245 4.320 0.001 0.000 0.205 929 K C 1.968 178.581 176.600 0.022 0.000 1.050 929 K CA 0.285 56.579 56.287 0.012 0.000 0.938 929 K CB -0.094 32.406 32.500 0.000 0.000 0.718 929 K HN 0.026 nan 8.250 nan 0.000 0.442 930 L N 1.998 123.219 121.223 -0.004 0.000 2.083 930 L HA -0.156 4.185 4.340 0.001 0.000 0.209 930 L C 1.785 178.698 176.870 0.072 0.000 1.083 930 L CA 1.764 56.571 54.840 -0.054 0.000 0.752 930 L CB -0.192 41.650 42.059 -0.363 0.000 0.899 930 L HN 0.019 nan 8.230 nan 0.000 0.433 931 K N -0.850 119.651 120.400 0.168 0.000 2.147 931 K HA -0.173 4.147 4.320 0.001 0.000 0.205 931 K C 2.022 178.663 176.600 0.069 0.000 1.049 931 K CA 1.391 57.772 56.287 0.158 0.000 0.936 931 K CB -0.037 32.545 32.500 0.136 0.000 0.722 931 K HN 0.345 nan 8.250 nan 0.000 0.446 932 K N 0.706 121.135 120.400 0.049 0.000 2.021 932 K HA -0.014 4.307 4.320 0.001 0.000 0.205 932 K C 2.097 178.710 176.600 0.021 0.000 1.047 932 K CA 0.896 57.199 56.287 0.027 0.000 0.943 932 K CB -0.108 32.404 32.500 0.019 0.000 0.725 932 K HN 0.027 nan 8.250 nan 0.000 0.439 933 L N 1.074 122.309 121.223 0.020 0.000 2.131 933 L HA -0.139 4.201 4.340 0.001 0.000 0.210 933 L C 1.860 178.736 176.870 0.010 0.000 1.092 933 L CA 0.997 55.844 54.840 0.012 0.000 0.759 933 L CB -0.256 41.808 42.059 0.009 0.000 0.903 933 L HN 0.183 nan 8.230 nan 0.000 0.435 934 L N -0.406 120.827 121.223 0.018 0.000 2.667 934 L HA 0.280 4.621 4.340 0.001 0.000 0.232 934 L C 1.046 177.923 176.870 0.013 0.000 1.138 934 L CA -0.636 54.213 54.840 0.014 0.000 0.921 934 L CB -0.227 41.845 42.059 0.022 0.000 1.180 934 L HN 0.050 nan 8.230 nan 0.000 0.487 935 A N 0.482 123.310 122.820 0.013 0.000 2.548 935 A HA 0.375 4.695 4.320 0.001 0.000 0.247 935 A C 1.449 179.033 177.584 0.000 0.000 1.067 935 A CA 0.980 53.020 52.037 0.006 0.000 0.757 935 A CB -0.205 18.799 19.000 0.006 0.000 0.996 935 A HN 0.634 nan 8.150 nan 0.000 0.504 936 G N 1.037 109.835 108.800 -0.004 0.000 2.268 936 G HA2 -0.220 3.741 3.960 0.001 0.000 0.240 936 G HA3 -0.220 3.741 3.960 0.001 0.000 0.240 936 G C 0.312 175.208 174.900 -0.007 0.000 1.010 936 G CA 0.229 45.325 45.100 -0.006 0.000 0.618 936 G HN 0.882 nan 8.290 nan 0.000 0.516 937 Q N 0.216 120.012 119.800 -0.006 0.000 2.247 937 Q HA 0.386 4.727 4.340 0.001 0.000 0.288 937 Q C 0.799 176.792 176.000 -0.012 0.000 1.079 937 Q CA 0.766 56.564 55.803 -0.008 0.000 0.932 937 Q CB 1.238 29.972 28.738 -0.007 0.000 1.133 937 Q HN 0.424 nan 8.270 nan 0.000 0.377 938 K N 0.973 121.366 120.400 -0.012 0.000 2.521 938 K HA 0.161 4.481 4.320 0.001 0.000 0.213 938 K C -0.851 175.742 176.600 -0.012 0.000 1.223 938 K CA 0.162 56.441 56.287 -0.013 0.000 1.013 938 K CB 0.928 33.421 32.500 -0.011 0.000 1.017 938 K HN 0.429 nan 8.250 nan 0.000 0.591 939 D N -0.441 119.952 120.400 -0.011 0.000 2.350 939 D HA 0.560 5.200 4.640 0.001 0.000 0.238 939 D C 0.665 176.959 176.300 -0.010 0.000 0.989 939 D CA 0.303 54.297 54.000 -0.009 0.000 0.921 939 D CB 1.325 42.121 40.800 -0.007 0.000 1.297 939 D HN 0.137 nan 8.370 nan 0.000 0.490 940 G N -0.102 108.693 108.800 -0.008 0.000 2.591 940 G HA2 -0.300 3.661 3.960 0.001 0.000 0.278 940 G HA3 -0.300 3.661 3.960 0.001 0.000 0.278 940 G C 1.041 175.934 174.900 -0.012 0.000 1.293 940 G CA 0.188 45.283 45.100 -0.008 0.000 0.930 940 G HN 0.500 nan 8.290 nan 0.000 0.562 941 L N -0.985 120.231 121.223 -0.013 0.000 2.012 941 L HA -0.126 4.215 4.340 0.001 0.000 0.210 941 L C 3.104 179.955 176.870 -0.030 0.000 1.073 941 L CA 1.538 56.366 54.840 -0.020 0.000 0.748 941 L CB -0.579 41.471 42.059 -0.016 0.000 0.891 941 L HN 0.459 nan 8.230 nan 0.000 0.431 942 L N -0.021 121.187 121.223 -0.025 0.000 2.079 942 L HA -0.139 4.201 4.340 0.001 0.000 0.210 942 L C 2.575 179.431 176.870 -0.024 0.000 1.081 942 L CA 2.006 56.831 54.840 -0.026 0.000 0.752 942 L CB -1.556 40.491 42.059 -0.019 0.000 0.896 942 L HN 0.213 nan 8.230 nan 0.000 0.433 943 G N -1.734 107.053 108.800 -0.022 0.000 2.402 943 G HA2 -0.233 3.728 3.960 0.001 0.000 0.216 943 G HA3 -0.233 3.728 3.960 0.001 0.000 0.216 943 G C 1.493 176.372 174.900 -0.034 0.000 1.162 943 G CA 0.379 45.465 45.100 -0.023 0.000 0.777 943 G HN 0.438 nan 8.290 nan 0.000 0.539 944 Q N -0.169 119.606 119.800 -0.042 0.000 2.084 944 Q HA -0.001 4.339 4.340 0.001 0.000 0.202 944 Q C 2.629 178.578 176.000 -0.085 0.000 0.978 944 Q CA 0.987 56.751 55.803 -0.065 0.000 0.844 944 Q CB -0.206 28.489 28.738 -0.072 0.000 0.898 944 Q HN 0.510 nan 8.270 nan 0.000 0.426 945 I N 0.792 121.318 120.570 -0.072 0.000 2.226 945 I HA -0.280 3.891 4.170 0.001 0.000 0.245 945 I C 2.480 178.605 176.117 0.014 0.000 1.100 945 I CA 0.945 62.210 61.300 -0.058 0.000 1.374 945 I CB -0.479 37.476 38.000 -0.075 0.000 1.057 945 I HN 0.162 nan 8.210 nan 0.000 0.413 946 A N 0.860 123.684 122.820 0.005 0.000 1.908 946 A HA -0.185 4.136 4.320 0.001 0.000 0.218 946 A C 2.445 179.990 177.584 -0.066 0.000 1.181 946 A CA 1.902 53.947 52.037 0.014 0.000 0.627 946 A CB -0.803 18.196 19.000 -0.003 0.000 0.818 946 A HN 0.450 nan 8.150 nan 0.000 0.445 947 A N -1.240 121.534 122.820 -0.077 0.000 2.216 947 A HA 0.168 4.489 4.320 0.001 0.000 0.214 947 A C 1.695 179.189 177.584 -0.149 0.000 1.160 947 A CA 1.137 53.114 52.037 -0.101 0.000 0.725 947 A CB -0.510 18.446 19.000 -0.073 0.000 0.784 947 A HN 0.527 nan 8.150 nan 0.000 0.472 948 M N -0.029 119.460 119.600 -0.186 0.000 2.560 948 M HA 0.039 4.519 4.480 0.001 0.000 0.297 948 M C 1.606 177.585 176.300 -0.534 0.000 1.201 948 M CA 0.441 55.600 55.300 -0.235 0.000 0.973 948 M CB 0.278 32.785 32.600 -0.155 0.000 1.401 948 M HN 0.490 nan 8.290 nan 0.000 0.497 949 S N 0.319 115.530 115.700 -0.815 0.000 2.442 949 S HA -0.169 4.302 4.470 0.001 0.000 0.236 949 S C 1.274 175.362 174.600 -0.854 0.000 1.007 949 S CA 1.601 58.844 58.200 -1.594 0.000 0.965 949 S CB -0.500 62.155 63.200 -0.908 0.000 0.773 949 S HN 0.620 nan 8.310 nan 0.000 0.504 950 D N 1.135 121.287 120.400 -0.414 0.000 2.352 950 D HA 0.022 4.663 4.640 0.001 0.000 0.232 950 D C 1.222 177.469 176.300 -0.087 0.000 1.055 950 D CA 0.231 54.114 54.000 -0.195 0.000 0.891 950 D CB -0.417 40.313 40.800 -0.117 0.000 0.897 950 D HN 0.524 nan 8.370 nan 0.000 0.529 951 L N -1.350 119.804 121.223 -0.114 0.000 2.817 951 L HA 0.206 4.546 4.340 0.001 0.000 0.248 951 L C 1.654 178.682 176.870 0.263 0.000 1.133 951 L CA -0.380 54.507 54.840 0.078 0.000 0.935 951 L CB -0.083 42.011 42.059 0.058 0.000 1.266 951 L HN -0.030 nan 8.230 nan 0.000 0.535 952 Y N 0.863 121.191 120.300 0.047 0.000 2.049 952 Y HA -0.212 4.338 4.550 0.001 0.000 0.277 952 Y C 1.997 178.175 175.900 0.463 0.000 1.143 952 Y CA 1.169 59.341 58.100 0.121 0.000 1.115 952 Y CB -0.233 38.204 38.460 -0.038 0.000 0.975 952 Y HN 0.150 nan 8.280 nan 0.000 0.487 953 T N 0.890 115.712 114.554 0.446 0.000 2.897 953 T HA 0.146 4.497 4.350 0.001 0.000 0.294 953 T C -0.417 174.445 174.700 0.271 0.000 1.004 953 T CA -1.008 61.297 62.100 0.341 0.000 1.106 953 T CB 1.251 70.260 68.868 0.235 0.000 0.949 953 T HN 0.006 nan 8.240 nan 0.000 0.520 954 K N 3.549 124.077 120.400 0.213 0.000 2.472 954 K HA 0.110 4.430 4.320 0.001 0.000 0.280 954 K C 0.047 176.751 176.600 0.174 0.000 1.028 954 K CA 0.290 56.674 56.287 0.162 0.000 1.045 954 K CB 0.223 32.781 32.500 0.097 0.000 0.902 954 K HN 0.476 nan 8.250 nan 0.000 0.478 955 K N 2.142 122.663 120.400 0.201 0.000 2.090 955 K HA 0.246 4.566 4.320 0.001 0.000 0.249 955 K C -0.454 176.279 176.600 0.223 0.000 0.995 955 K CA -0.562 55.878 56.287 0.255 0.000 0.914 955 K CB 1.663 34.434 32.500 0.450 0.000 1.057 955 K HN 0.552 nan 8.250 nan 0.000 0.462 956 S N 0.778 116.643 115.700 0.275 0.000 2.566 956 S HA 0.311 4.782 4.470 0.001 0.000 0.324 956 S C -0.909 173.895 174.600 0.340 0.000 1.081 956 S CA -0.716 57.627 58.200 0.238 0.000 1.105 956 S CB 0.476 63.858 63.200 0.303 0.000 0.981 956 S HN 0.234 nan 8.310 nan 0.000 0.464 957 V N 6.186 126.169 119.914 0.115 0.000 2.385 957 V HA 0.438 4.558 4.120 0.001 0.000 0.269 957 V C -0.709 175.349 176.094 -0.060 0.000 1.043 957 V CA -0.351 61.995 62.300 0.077 0.000 0.906 957 V CB 0.177 31.946 31.823 -0.091 0.000 0.995 957 V HN 0.841 nan 8.190 nan 0.000 0.467 958 W N 4.782 126.067 121.300 -0.025 0.000 2.666 958 W HA 0.735 5.395 4.660 0.001 0.000 0.334 958 W C -0.420 176.055 176.519 -0.074 0.000 1.051 958 W CA -0.630 56.708 57.345 -0.012 0.000 1.224 958 W CB 1.533 30.964 29.460 -0.048 0.000 1.405 958 W HN 0.320 nan 8.180 nan 0.000 0.513 959 I N 3.429 124.184 120.570 0.308 0.000 2.382 959 I HA 0.335 4.505 4.170 0.001 0.000 0.286 959 I C -0.694 175.712 176.117 0.481 0.000 1.002 959 I CA -0.579 60.846 61.300 0.208 0.000 1.135 959 I CB 0.685 38.811 38.000 0.209 0.000 1.288 959 I HN 0.210 nan 8.210 nan 0.000 0.448 960 F N 3.893 123.872 119.950 0.049 0.000 2.422 960 F HA 0.787 5.315 4.527 0.001 0.000 0.333 960 F C 0.807 176.499 175.800 -0.179 0.000 1.095 960 F CA -0.755 57.318 58.000 0.120 0.000 1.038 960 F CB 2.257 41.373 39.000 0.193 0.000 1.156 960 F HN 0.503 nan 8.300 nan 0.000 0.483 961 G N 1.101 109.994 108.800 0.154 0.000 2.547 961 G HA2 0.467 4.428 3.960 0.001 0.000 0.291 961 G HA3 0.467 4.428 3.960 0.001 0.000 0.291 961 G C -1.312 173.821 174.900 0.388 0.000 1.471 961 G CA -0.544 44.620 45.100 0.107 0.000 0.798 961 G HN 0.896 nan 8.290 nan 0.000 0.504 962 G N -1.098 107.960 108.800 0.431 0.000 2.537 962 G HA2 0.490 4.450 3.960 0.001 0.000 0.297 962 G HA3 0.490 4.450 3.960 0.001 0.000 0.297 962 G C 0.825 175.935 174.900 0.351 0.000 1.310 962 G CA 0.544 45.832 45.100 0.313 0.000 1.027 962 G HN 0.681 nan 8.290 nan 0.000 0.505 963 D N -0.794 119.703 120.400 0.163 0.000 2.178 963 D HA -0.083 4.557 4.640 0.001 0.000 0.202 963 D C 2.169 178.481 176.300 0.020 0.000 0.974 963 D CA 1.210 55.269 54.000 0.099 0.000 0.841 963 D CB -0.701 39.950 40.800 -0.249 0.000 0.953 963 D HN 0.465 nan 8.370 nan 0.000 0.478 964 G N 0.482 109.207 108.800 -0.125 0.000 2.446 964 G HA2 -0.292 3.668 3.960 0.001 0.000 0.217 964 G HA3 -0.292 3.668 3.960 0.001 0.000 0.217 964 G C 1.395 176.376 174.900 0.135 0.000 1.168 964 G CA 0.849 45.738 45.100 -0.352 0.000 0.771 964 G HN 0.420 nan 8.290 nan 0.000 0.551 965 W N 1.859 123.248 121.300 0.148 0.000 2.353 965 W HA 0.102 4.762 4.660 0.001 0.000 0.319 965 W C 2.675 179.213 176.519 0.031 0.000 1.207 965 W CA 2.395 59.708 57.345 -0.053 0.000 1.291 965 W CB -0.542 28.972 29.460 0.090 0.000 1.159 965 W HN 0.238 nan 8.180 nan 0.000 0.478 966 A N -0.918 121.650 122.820 -0.420 0.000 1.930 966 A HA -0.165 4.155 4.320 0.001 0.000 0.217 966 A C 1.783 179.171 177.584 -0.327 0.000 1.175 966 A CA 1.739 53.345 52.037 -0.718 0.000 0.627 966 A CB -1.253 17.551 19.000 -0.327 0.000 0.815 966 A HN 0.528 nan 8.150 nan 0.000 0.443 967 Y N -0.380 119.753 120.300 -0.279 0.000 2.503 967 Y HA 0.090 4.640 4.550 0.001 0.000 0.278 967 Y C 1.553 177.312 175.900 -0.235 0.000 1.111 967 Y CA 0.441 58.359 58.100 -0.304 0.000 1.270 967 Y CB 0.098 38.424 38.460 -0.223 0.000 1.063 967 Y HN 0.296 nan 8.280 nan 0.000 0.548 968 D N -0.896 119.528 120.400 0.041 0.000 3.066 968 D HA 0.037 4.678 4.640 0.001 0.000 0.225 968 D C 2.048 178.366 176.300 0.030 0.000 1.397 968 D CA -0.059 53.997 54.000 0.094 0.000 1.344 968 D CB -0.734 40.236 40.800 0.283 0.000 0.934 968 D HN 0.050 nan 8.370 nan 0.000 0.202 969 I N 1.042 121.613 120.570 0.002 0.000 2.208 969 I HA -0.150 4.020 4.170 0.001 0.000 0.245 969 I C 1.681 177.689 176.117 -0.182 0.000 1.097 969 I CA 1.840 63.056 61.300 -0.141 0.000 1.363 969 I CB -0.032 37.817 38.000 -0.251 0.000 1.051 969 I HN 0.149 nan 8.210 nan 0.000 0.413 970 G N -1.495 107.125 108.800 -0.300 0.000 3.042 970 G HA2 -0.201 3.760 3.960 0.001 0.000 0.212 970 G HA3 -0.201 3.760 3.960 0.001 0.000 0.212 970 G C 1.165 175.840 174.900 -0.375 0.000 1.166 970 G CA -0.136 44.776 45.100 -0.314 0.000 0.767 970 G HN 0.424 nan 8.290 nan 0.000 0.546 971 Y N 2.134 122.188 120.300 -0.410 0.000 2.128 971 Y HA -0.129 4.422 4.550 0.001 0.000 0.284 971 Y C 2.536 178.309 175.900 -0.212 0.000 1.154 971 Y CA 1.581 59.477 58.100 -0.339 0.000 1.149 971 Y CB -0.578 37.737 38.460 -0.241 0.000 0.976 971 Y HN 0.121 nan 8.280 nan 0.000 0.505 972 G N -0.755 107.849 108.800 -0.328 0.000 2.440 972 G HA2 -0.262 3.698 3.960 0.001 0.000 0.218 972 G HA3 -0.262 3.698 3.960 0.001 0.000 0.218 972 G C 1.919 176.664 174.900 -0.257 0.000 1.154 972 G CA 0.872 45.768 45.100 -0.340 0.000 0.767 972 G HN 0.628 nan 8.290 nan 0.000 0.552 973 G N 0.484 109.182 108.800 -0.169 0.000 2.403 973 G HA2 -0.042 3.919 3.960 0.001 0.000 0.216 973 G HA3 -0.042 3.919 3.960 0.001 0.000 0.216 973 G C 1.710 176.568 174.900 -0.070 0.000 1.154 973 G CA 0.951 46.002 45.100 -0.082 0.000 0.784 973 G HN 0.396 nan 8.290 nan 0.000 0.538 974 L N 1.288 122.433 121.223 -0.130 0.000 2.017 974 L HA -0.004 4.336 4.340 0.001 0.000 0.208 974 L C 2.249 179.024 176.870 -0.158 0.000 1.073 974 L CA 2.685 57.459 54.840 -0.109 0.000 0.745 974 L CB -0.865 41.037 42.059 -0.263 0.000 0.894 974 L HN 0.294 nan 8.230 nan 0.000 0.432 975 D N -1.650 118.572 120.400 -0.298 0.000 2.116 975 D HA -0.312 4.329 4.640 0.001 0.000 0.193 975 D C 2.266 178.459 176.300 -0.178 0.000 0.998 975 D CA 1.778 55.619 54.000 -0.265 0.000 0.836 975 D CB -0.276 40.220 40.800 -0.508 0.000 0.951 975 D HN 0.578 nan 8.370 nan 0.000 0.449 976 H N -0.425 118.493 119.070 -0.253 0.000 2.353 976 H HA -0.082 4.475 4.556 0.001 0.000 0.300 976 H C 2.142 177.279 175.328 -0.317 0.000 1.090 976 H CA 1.581 57.480 56.048 -0.250 0.000 1.327 976 H CB -0.039 29.576 29.762 -0.245 0.000 1.383 976 H HN 0.115 nan 8.280 nan 0.000 0.508 977 V N 1.334 121.099 119.914 -0.249 0.000 2.407 977 V HA -0.255 3.866 4.120 0.001 0.000 0.248 977 V C 2.908 178.865 176.094 -0.229 0.000 1.055 977 V CA 1.380 63.475 62.300 -0.341 0.000 1.049 977 V CB -0.529 31.203 31.823 -0.151 0.000 0.662 977 V HN 0.325 nan 8.190 nan 0.000 0.455 978 L N 0.144 121.252 121.223 -0.191 0.000 2.056 978 L HA -0.107 4.234 4.340 0.001 0.000 0.207 978 L C 2.664 179.355 176.870 -0.299 0.000 1.078 978 L CA 1.492 56.227 54.840 -0.176 0.000 0.749 978 L CB -0.777 41.182 42.059 -0.167 0.000 0.901 978 L HN 0.350 nan 8.230 nan 0.000 0.433 979 A N 0.076 122.580 122.820 -0.527 0.000 2.121 979 A HA -0.173 4.148 4.320 0.001 0.000 0.218 979 A C 2.496 179.951 177.584 -0.216 0.000 1.154 979 A CA 1.570 53.265 52.037 -0.569 0.000 0.679 979 A CB -0.535 18.128 19.000 -0.561 0.000 0.795 979 A HN 0.537 nan 8.150 nan 0.000 0.458 980 S N -1.393 114.135 115.700 -0.287 0.000 2.399 980 S HA 0.215 4.686 4.470 0.001 0.000 0.231 980 S C 1.687 176.214 174.600 -0.121 0.000 1.022 980 S CA 1.436 59.503 58.200 -0.221 0.000 0.983 980 S CB -0.709 62.364 63.200 -0.211 0.000 0.803 980 S HN 1.940 nan 8.310 nan 0.000 0.480 981 G N 0.710 109.487 108.800 -0.037 0.000 2.157 981 G HA2 -0.192 3.769 3.960 0.001 0.000 0.248 981 G HA3 -0.192 3.769 3.960 0.001 0.000 0.248 981 G C -0.153 174.735 174.900 -0.019 0.000 0.979 981 G CA 0.214 45.291 45.100 -0.039 0.000 0.650 981 G HN 0.560 nan 8.290 nan 0.000 0.529 982 E N 0.490 120.705 120.200 0.025 0.000 2.371 982 E HA 0.305 4.656 4.350 0.001 0.000 0.257 982 E C -0.287 176.314 176.600 0.002 0.000 1.134 982 E CA -0.573 55.831 56.400 0.006 0.000 0.919 982 E CB 0.648 30.407 29.700 0.098 0.000 1.025 982 E HN 0.169 nan 8.360 nan 0.000 0.438 983 D N 1.578 121.945 120.400 -0.055 0.000 2.470 983 D HA 0.167 4.807 4.640 0.001 0.000 0.226 983 D C -0.883 175.367 176.300 -0.083 0.000 1.196 983 D CA -0.230 53.726 54.000 -0.073 0.000 0.979 983 D CB -0.427 40.314 40.800 -0.098 0.000 1.059 983 D HN 0.215 nan 8.370 nan 0.000 0.515 984 V N 0.717 120.593 119.914 -0.063 0.000 3.078 984 V HA 0.668 4.788 4.120 0.001 0.000 0.311 984 V C -0.660 175.318 176.094 -0.193 0.000 1.138 984 V CA -1.116 61.117 62.300 -0.112 0.000 1.007 984 V CB 2.396 34.220 31.823 0.003 0.000 1.045 984 V HN 0.259 nan 8.190 nan 0.000 0.432 985 N N 1.275 119.741 118.700 -0.389 0.000 2.399 985 N HA 0.532 5.272 4.740 0.001 0.000 0.280 985 N C -1.277 174.132 175.510 -0.167 0.000 1.008 985 N CA -0.260 52.441 53.050 -0.581 0.000 0.894 985 N CB 2.479 39.893 38.487 -1.788 0.000 1.273 985 N HN 0.768 nan 8.380 nan 0.000 0.486 986 V N 3.551 123.531 119.914 0.109 0.000 2.370 986 V HA 0.530 4.651 4.120 0.001 0.000 0.283 986 V C -1.308 175.124 176.094 0.564 0.000 1.023 986 V CA -0.611 61.918 62.300 0.383 0.000 0.857 986 V CB 0.736 32.778 31.823 0.365 0.000 0.985 986 V HN 0.504 nan 8.190 nan 0.000 0.443 987 F N 6.898 127.195 119.950 0.578 0.000 2.403 987 F HA 0.662 5.190 4.527 0.001 0.000 0.355 987 F C -0.457 175.565 175.800 0.369 0.000 1.119 987 F CA -0.708 57.586 58.000 0.489 0.000 1.007 987 F CB 1.689 40.999 39.000 0.517 0.000 1.194 987 F HN 0.333 nan 8.300 nan 0.000 0.443 988 V N 7.845 127.635 119.914 -0.208 0.000 2.370 988 V HA 0.295 4.415 4.120 0.001 0.000 0.279 988 V C 0.068 175.889 176.094 -0.455 0.000 1.029 988 V CA -0.501 61.737 62.300 -0.103 0.000 0.870 988 V CB 1.362 33.261 31.823 0.127 0.000 0.984 988 V HN 0.705 nan 8.190 nan 0.000 0.451 989 M N 4.432 123.856 119.600 -0.292 0.000 2.206 989 M HA 0.303 4.783 4.480 0.001 0.000 0.353 989 M C -0.275 175.975 176.300 -0.083 0.000 1.242 989 M CA -0.223 54.912 55.300 -0.274 0.000 1.179 989 M CB 0.478 33.028 32.600 -0.082 0.000 1.374 989 M HN 0.483 nan 8.290 nan 0.000 0.427 990 D N 2.458 122.805 120.400 -0.089 0.000 2.393 990 D HA 0.085 4.726 4.640 0.001 0.000 0.232 990 D C 0.891 177.087 176.300 -0.174 0.000 1.192 990 D CA 0.086 54.070 54.000 -0.027 0.000 0.882 990 D CB 1.023 41.945 40.800 0.203 0.000 1.038 990 D HN 0.644 nan 8.370 nan 0.000 0.499 991 T N 0.073 114.547 114.554 -0.133 0.000 3.086 991 T HA 0.079 4.429 4.350 0.001 0.000 0.250 991 T C 0.593 175.215 174.700 -0.130 0.000 1.074 991 T CA -0.276 61.725 62.100 -0.165 0.000 0.988 991 T CB -0.212 68.610 68.868 -0.077 0.000 0.988 991 T HN 0.582 nan 8.240 nan 0.000 0.530 992 E N -0.655 119.477 120.200 -0.114 0.000 2.722 992 E HA -0.149 4.201 4.350 0.001 0.000 0.265 992 E C -0.387 176.165 176.600 -0.080 0.000 1.081 992 E CA 0.427 56.780 56.400 -0.078 0.000 0.781 992 E CB -1.990 27.751 29.700 0.068 0.000 1.372 992 E HN 0.520 nan 8.360 nan 0.000 0.423 993 V N -0.499 119.354 119.914 -0.102 0.000 3.234 993 V HA 0.212 4.333 4.120 0.001 0.000 0.280 993 V C -1.690 174.383 176.094 -0.035 0.000 1.580 993 V CA -0.907 61.368 62.300 -0.041 0.000 1.032 993 V CB 1.389 33.210 31.823 -0.003 0.000 1.203 993 V HN 0.165 nan 8.190 nan 0.000 0.459 994 Y N 3.359 123.671 120.300 0.020 0.000 2.640 994 Y HA 0.264 4.814 4.550 0.001 0.000 0.355 994 Y C 1.591 177.489 175.900 -0.004 0.000 1.088 994 Y CA 0.795 58.913 58.100 0.030 0.000 1.443 994 Y CB 1.240 39.702 38.460 0.003 0.000 1.224 994 Y HN 0.676 nan 8.280 nan 0.000 0.516 995 S N 2.008 117.777 115.700 0.115 0.000 2.335 995 S HA -0.222 4.249 4.470 0.001 0.000 0.216 995 S C 1.973 176.606 174.600 0.056 0.000 1.032 995 S CA 1.484 59.726 58.200 0.069 0.000 1.000 995 S CB -0.269 62.969 63.200 0.063 0.000 0.928 995 S HN 0.830 nan 8.310 nan 0.000 0.434 996 N N 1.134 119.869 118.700 0.058 0.000 2.091 996 N HA -0.157 4.583 4.740 0.001 0.000 0.193 996 N C 1.551 177.053 175.510 -0.012 0.000 1.021 996 N CA 2.250 55.315 53.050 0.025 0.000 0.862 996 N CB -0.386 38.104 38.487 0.005 0.000 1.018 996 N HN 0.542 nan 8.380 nan 0.000 0.429 997 T N -4.344 110.195 114.554 -0.024 0.000 3.118 997 T HA 0.267 4.617 4.350 0.001 0.000 0.260 997 T C 1.252 175.915 174.700 -0.062 0.000 1.139 997 T CA 0.563 62.623 62.100 -0.066 0.000 1.085 997 T CB 0.100 68.894 68.868 -0.123 0.000 0.934 997 T HN 0.359 nan 8.240 nan 0.000 0.518 998 G N 0.256 109.034 108.800 -0.037 0.000 2.148 998 G HA2 0.326 4.286 3.960 0.001 0.000 0.120 998 G HA3 0.326 4.286 3.960 0.001 0.000 0.120 998 G C 0.668 175.536 174.900 -0.054 0.000 1.034 998 G CA -0.139 44.926 45.100 -0.059 0.000 0.710 998 G HN 1.432 nan 8.290 nan 0.000 0.495 999 G N -0.943 107.853 108.800 -0.007 0.000 2.256 999 G HA2 -0.063 3.897 3.960 0.001 0.000 0.272 999 G HA3 -0.063 3.897 3.960 0.001 0.000 0.272 999 G C 0.142 175.051 174.900 0.016 0.000 1.076 999 G CA 0.880 45.981 45.100 0.001 0.000 0.882 999 G HN 1.051 nan 8.290 nan 0.000 0.497 1000 Q N 0.154 120.010 119.800 0.094 0.000 2.259 1000 Q HA 0.622 4.962 4.340 0.001 0.000 0.246 1000 Q C 0.825 177.005 176.000 0.300 0.000 0.920 1000 Q CA 0.174 56.075 55.803 0.163 0.000 0.895 1000 Q CB 1.363 30.198 28.738 0.162 0.000 1.220 1000 Q HN 0.403 nan 8.270 nan 0.000 0.439 1001 S N 1.035 116.897 115.700 0.270 0.000 2.568 1001 S HA 0.352 4.822 4.470 0.001 0.000 0.282 1001 S C -0.219 174.577 174.600 0.327 0.000 1.338 1001 S CA -0.017 58.319 58.200 0.227 0.000 1.045 1001 S CB 0.093 63.404 63.200 0.185 0.000 0.873 1001 S HN 0.643 nan 8.310 nan 0.000 0.516 1002 S N 3.476 119.269 115.700 0.155 0.000 2.740 1002 S HA 0.520 4.991 4.470 0.001 0.000 0.300 1002 S C 0.283 174.889 174.600 0.010 0.000 1.147 1002 S CA -0.983 57.269 58.200 0.086 0.000 0.871 1002 S CB 1.120 64.126 63.200 -0.322 0.000 1.173 1002 S HN 0.717 nan 8.310 nan 0.000 0.510 1003 K N 0.036 120.432 120.400 -0.006 0.000 2.504 1003 K HA 0.128 4.449 4.320 0.001 0.000 0.195 1003 K C 1.536 178.070 176.600 -0.110 0.000 1.036 1003 K CA 0.771 57.055 56.287 -0.005 0.000 0.984 1003 K CB -0.318 32.209 32.500 0.045 0.000 0.788 1003 K HN 0.657 nan 8.250 nan 0.000 0.488 1004 A N 0.946 123.535 122.820 -0.386 0.000 2.218 1004 A HA 0.036 4.356 4.320 0.001 0.000 0.209 1004 A C 0.752 178.206 177.584 -0.216 0.000 1.168 1004 A CA 0.224 51.872 52.037 -0.648 0.000 0.804 1004 A CB 0.059 18.255 19.000 -1.340 0.000 0.834 1004 A HN 0.055 nan 8.150 nan 0.000 0.482 1005 T N 3.662 118.154 114.554 -0.104 0.000 2.870 1005 T HA 0.339 4.690 4.350 0.001 0.000 0.300 1005 T C -2.345 172.403 174.700 0.081 0.000 0.989 1005 T CA -0.611 61.497 62.100 0.013 0.000 1.139 1005 T CB 1.042 69.925 68.868 0.025 0.000 0.920 1005 T HN 0.286 nan 8.240 nan 0.000 0.537 1006 P HA 0.177 nan 4.420 nan 0.000 0.278 1006 P C -0.366 177.085 177.300 0.252 0.000 1.258 1006 P CA -0.555 62.691 63.100 0.244 0.000 0.811 1006 P CB 0.421 32.386 31.700 0.441 0.000 1.063 1007 T N 0.984 115.672 114.554 0.225 0.000 2.905 1007 T HA 0.260 4.611 4.350 0.001 0.000 0.299 1007 T C 1.442 176.318 174.700 0.293 0.000 1.024 1007 T CA 1.912 64.133 62.100 0.202 0.000 1.151 1007 T CB -0.803 68.161 68.868 0.160 0.000 0.987 1007 T HN 0.827 nan 8.240 nan 0.000 0.535 1008 G N 2.167 111.107 108.800 0.232 0.000 2.205 1008 G HA2 -0.139 3.821 3.960 0.001 0.000 0.261 1008 G HA3 -0.139 3.821 3.960 0.001 0.000 0.261 1008 G C 0.295 175.364 174.900 0.281 0.000 0.980 1008 G CA -0.008 45.257 45.100 0.275 0.000 0.632 1008 G HN 1.203 nan 8.290 nan 0.000 0.533 1009 A N 0.104 123.028 122.820 0.173 0.000 2.401 1009 A HA 0.674 4.995 4.320 0.001 0.000 0.259 1009 A C 0.536 178.037 177.584 -0.138 0.000 1.103 1009 A CA 0.245 52.130 52.037 -0.254 0.000 0.789 1009 A CB 1.010 19.832 19.000 -0.298 0.000 1.035 1009 A HN 1.111 nan 8.150 nan 0.000 0.491 1010 V N 1.762 121.561 119.914 -0.193 0.000 2.465 1010 V HA 0.646 4.767 4.120 0.001 0.000 0.279 1010 V C 0.625 176.655 176.094 -0.106 0.000 1.045 1010 V CA 0.737 62.983 62.300 -0.091 0.000 0.938 1010 V CB 0.640 32.431 31.823 -0.053 0.000 0.986 1010 V HN 1.359 nan 8.190 nan 0.000 0.467 1011 A N 4.934 127.714 122.820 -0.066 0.000 2.586 1011 A HA 0.732 5.053 4.320 0.001 0.000 0.290 1011 A C -1.067 176.462 177.584 -0.092 0.000 1.086 1011 A CA -1.000 50.997 52.037 -0.068 0.000 0.665 1011 A CB 1.281 20.267 19.000 -0.024 0.000 1.279 1011 A HN 0.517 nan 8.150 nan 0.000 0.423 1012 K N 0.273 120.578 120.400 -0.159 0.000 2.448 1012 K HA 0.376 4.697 4.320 0.001 0.000 0.278 1012 K C -0.384 176.045 176.600 -0.286 0.000 1.009 1012 K CA 0.463 56.514 56.287 -0.394 0.000 0.995 1012 K CB -0.714 31.437 32.500 -0.583 0.000 0.917 1012 K HN 0.912 nan 8.250 nan 0.000 0.481 1013 F N -1.099 118.830 119.950 -0.035 0.000 2.840 1013 F HA -0.311 4.216 4.527 0.001 0.000 0.310 1013 F C 0.495 176.297 175.800 0.002 0.000 0.688 1013 F CA 0.732 58.724 58.000 -0.014 0.000 1.286 1013 F CB -1.529 37.463 39.000 -0.013 0.000 1.612 1013 F HN 0.598 nan 8.300 nan 0.000 0.335 1014 A N -0.394 122.474 122.820 0.079 0.000 3.165 1014 A HA 0.776 5.096 4.320 0.001 0.000 0.212 1014 A C 0.816 178.405 177.584 0.008 0.000 0.935 1014 A CA 0.293 52.363 52.037 0.055 0.000 1.100 1014 A CB -0.199 18.834 19.000 0.056 0.000 1.260 1014 A HN 0.660 nan 8.150 nan 0.000 0.532 1015 A N -0.360 122.458 122.820 -0.003 0.000 2.172 1015 A HA 0.360 4.680 4.320 0.001 0.000 0.216 1015 A C 1.541 179.139 177.584 0.022 0.000 1.154 1015 A CA 1.683 53.718 52.037 -0.003 0.000 0.701 1015 A CB -0.060 18.935 19.000 -0.008 0.000 0.789 1015 A HN 1.599 nan 8.150 nan 0.000 0.465 1016 A N -1.194 121.605 122.820 -0.035 0.000 2.610 1016 A HA 0.537 4.857 4.320 0.001 0.000 0.291 1016 A C 0.872 178.419 177.584 -0.061 0.000 1.116 1016 A CA 0.522 52.471 52.037 -0.147 0.000 0.963 1016 A CB -0.720 18.074 19.000 -0.342 0.000 1.220 1016 A HN 1.975 nan 8.150 nan 0.000 0.530 1017 G N 0.325 109.132 108.800 0.012 0.000 3.019 1017 G HA2 -0.114 3.847 3.960 0.001 0.000 0.686 1017 G HA3 -0.114 3.847 3.960 0.001 0.000 0.686 1017 G C -0.367 174.560 174.900 0.044 0.000 1.056 1017 G CA -0.208 44.919 45.100 0.045 0.000 0.774 1017 G HN 0.710 nan 8.290 nan 0.000 0.583 1018 K N 1.341 121.779 120.400 0.062 0.000 2.484 1018 K HA 0.216 4.537 4.320 0.001 0.000 0.280 1018 K C 1.109 177.753 176.600 0.073 0.000 1.013 1018 K CA -0.151 56.178 56.287 0.070 0.000 1.029 1018 K CB 0.256 32.805 32.500 0.082 0.000 0.902 1018 K HN 0.382 nan 8.250 nan 0.000 0.481 1019 R N 2.135 122.668 120.500 0.056 0.000 2.388 1019 R HA 0.067 4.408 4.340 0.001 0.000 0.247 1019 R C -0.183 176.147 176.300 0.050 0.000 0.931 1019 R CA 0.114 56.244 56.100 0.049 0.000 1.082 1019 R CB 0.001 30.319 30.300 0.030 0.000 1.135 1019 R HN 0.750 nan 8.270 nan 0.000 0.525 1020 T N -3.049 111.538 114.554 0.057 0.000 2.893 1020 T HA 0.681 5.032 4.350 0.001 0.000 0.291 1020 T C 0.537 175.272 174.700 0.059 0.000 1.028 1020 T CA -0.782 61.348 62.100 0.049 0.000 0.995 1020 T CB 2.770 71.662 68.868 0.040 0.000 1.051 1020 T HN 0.082 nan 8.240 nan 0.000 0.470 1021 G N 0.898 109.728 108.800 0.050 0.000 2.651 1021 G HA2 0.384 4.345 3.960 0.001 0.000 0.260 1021 G HA3 0.384 4.345 3.960 0.001 0.000 0.260 1021 G C -0.329 174.596 174.900 0.042 0.000 1.216 1021 G CA -0.887 44.245 45.100 0.053 0.000 0.913 1021 G HN 0.974 nan 8.290 nan 0.000 0.535 1022 K N 0.112 120.536 120.400 0.040 0.000 2.401 1022 K HA 0.095 4.415 4.320 0.001 0.000 0.278 1022 K C 0.585 177.202 176.600 0.029 0.000 1.018 1022 K CA -0.311 55.994 56.287 0.030 0.000 0.981 1022 K CB 0.417 32.930 32.500 0.022 0.000 0.933 1022 K HN 0.474 nan 8.250 nan 0.000 0.477 1023 K N 3.590 124.027 120.400 0.061 0.000 2.401 1023 K HA -0.061 4.260 4.320 0.001 0.000 0.278 1023 K C -0.454 176.180 176.600 0.057 0.000 1.018 1023 K CA -0.145 56.170 56.287 0.046 0.000 0.981 1023 K CB 0.639 33.177 32.500 0.063 0.000 0.933 1023 K HN 0.505 nan 8.250 nan 0.000 0.477 1024 D N 5.590 125.960 120.400 -0.050 0.000 2.563 1024 D HA 0.007 4.648 4.640 0.001 0.000 0.222 1024 D C 0.985 177.187 176.300 -0.162 0.000 1.145 1024 D CA -0.190 53.757 54.000 -0.087 0.000 1.001 1024 D CB 0.302 41.033 40.800 -0.116 0.000 1.049 1024 D HN 0.577 nan 8.370 nan 0.000 0.515 1025 L N 3.458 124.534 121.223 -0.245 0.000 2.042 1025 L HA -0.136 4.205 4.340 0.001 0.000 0.210 1025 L C 2.073 178.808 176.870 -0.225 0.000 1.076 1025 L CA 2.210 56.806 54.840 -0.406 0.000 0.749 1025 L CB -0.559 40.975 42.059 -0.875 0.000 0.893 1025 L HN 0.284 nan 8.230 nan 0.000 0.432 1026 A N -0.258 122.478 122.820 -0.140 0.000 1.865 1026 A HA -0.240 4.081 4.320 0.001 0.000 0.217 1026 A C 2.430 179.959 177.584 -0.093 0.000 1.191 1026 A CA 2.013 54.033 52.037 -0.028 0.000 0.623 1026 A CB -0.617 18.490 19.000 0.179 0.000 0.826 1026 A HN 0.525 nan 8.150 nan 0.000 0.444 1027 R N -1.200 119.209 120.500 -0.152 0.000 2.115 1027 R HA -0.019 4.322 4.340 0.001 0.000 0.230 1027 R C 2.235 178.383 176.300 -0.252 0.000 1.111 1027 R CA 1.415 57.363 56.100 -0.254 0.000 0.976 1027 R CB -0.385 29.749 30.300 -0.276 0.000 0.870 1027 R HN 0.586 nan 8.270 nan 0.000 0.445 1028 M N 0.348 119.827 119.600 -0.202 0.000 2.086 1028 M HA -0.147 4.333 4.480 0.001 0.000 0.261 1028 M C 2.451 178.628 176.300 -0.205 0.000 1.067 1028 M CA 1.655 56.840 55.300 -0.191 0.000 1.116 1028 M CB -0.324 32.202 32.600 -0.123 0.000 1.348 1028 M HN 0.083 nan 8.290 nan 0.000 0.407 1029 V N -2.171 117.666 119.914 -0.128 0.000 2.548 1029 V HA -0.165 3.956 4.120 0.001 0.000 0.249 1029 V C 2.008 178.014 176.094 -0.147 0.000 1.055 1029 V CA 1.416 63.696 62.300 -0.034 0.000 1.065 1029 V CB -0.897 30.934 31.823 0.013 0.000 0.681 1029 V HN 0.466 nan 8.190 nan 0.000 0.462 1030 M N 1.890 121.303 119.600 -0.312 0.000 2.446 1030 M HA -0.102 4.379 4.480 0.001 0.000 0.263 1030 M C 2.308 178.280 176.300 -0.547 0.000 1.066 1030 M CA 1.974 56.910 55.300 -0.606 0.000 1.087 1030 M CB -0.734 31.422 32.600 -0.739 0.000 1.406 1030 M HN 0.755 nan 8.290 nan 0.000 0.459 1031 T N -2.142 112.163 114.554 -0.415 0.000 2.929 1031 T HA -0.172 4.179 4.350 0.001 0.000 0.271 1031 T C 1.419 175.896 174.700 -0.371 0.000 1.085 1031 T CA 1.038 62.906 62.100 -0.387 0.000 1.125 1031 T CB -0.534 68.090 68.868 -0.408 0.000 0.874 1031 T HN 0.328 nan 8.240 nan 0.000 0.494 1032 Y N 2.077 122.173 120.300 -0.340 0.000 2.242 1032 Y HA 0.226 4.776 4.550 0.001 0.000 0.291 1032 Y C 2.610 178.284 175.900 -0.376 0.000 1.137 1032 Y CA 0.656 58.475 58.100 -0.467 0.000 1.181 1032 Y CB -0.801 37.212 38.460 -0.747 0.000 0.989 1032 Y HN 0.457 nan 8.280 nan 0.000 0.527 1033 G N -0.767 107.994 108.800 -0.065 0.000 2.320 1033 G HA2 -0.398 3.562 3.960 0.001 0.000 0.242 1033 G HA3 -0.398 3.562 3.960 0.001 0.000 0.242 1033 G C 0.726 175.846 174.900 0.367 0.000 1.033 1033 G CA 0.678 45.904 45.100 0.209 0.000 0.620 1033 G HN 0.569 nan 8.290 nan 0.000 0.517 1034 Y N -0.007 120.505 120.300 0.353 0.000 2.636 1034 Y HA 0.763 5.314 4.550 0.001 0.000 0.260 1034 Y C 0.224 176.335 175.900 0.353 0.000 1.177 1034 Y CA -1.099 57.261 58.100 0.433 0.000 1.209 1034 Y CB -0.155 38.594 38.460 0.482 0.000 1.166 1034 Y HN 0.234 nan 8.280 nan 0.000 0.531 1035 V N 1.614 121.640 119.914 0.185 0.000 2.495 1035 V HA 0.200 4.320 4.120 0.001 0.000 0.298 1035 V C -0.940 175.117 176.094 -0.062 0.000 1.031 1035 V CA -1.274 61.094 62.300 0.113 0.000 0.871 1035 V CB 1.442 33.262 31.823 -0.005 0.000 0.988 1035 V HN 0.303 nan 8.190 nan 0.000 0.432 1036 Y N 4.924 124.957 120.300 -0.445 0.000 2.402 1036 Y HA 0.540 5.091 4.550 0.001 0.000 0.333 1036 Y C -0.300 175.536 175.900 -0.107 0.000 1.076 1036 Y CA 0.131 57.942 58.100 -0.482 0.000 1.299 1036 Y CB 1.019 38.997 38.460 -0.803 0.000 1.197 1036 Y HN 0.411 nan 8.280 nan 0.000 0.517 1037 V N 5.559 125.261 119.914 -0.353 0.000 2.709 1037 V HA 0.906 5.027 4.120 0.001 0.000 0.308 1037 V C -0.674 175.322 176.094 -0.163 0.000 1.062 1037 V CA -0.507 61.730 62.300 -0.105 0.000 0.901 1037 V CB 1.289 33.108 31.823 -0.006 0.000 1.003 1037 V HN 0.945 nan 8.190 nan 0.000 0.425 1038 A N 2.631 125.454 122.820 0.004 0.000 2.594 1038 A HA 0.946 5.266 4.320 0.001 0.000 0.295 1038 A C -0.438 177.105 177.584 -0.069 0.000 1.071 1038 A CA -0.362 51.660 52.037 -0.026 0.000 0.685 1038 A CB 2.191 21.273 19.000 0.135 0.000 1.285 1038 A HN 0.986 nan 8.150 nan 0.000 0.405 1039 T N -1.003 113.367 114.554 -0.307 0.000 2.856 1039 T HA 0.805 5.156 4.350 0.001 0.000 0.283 1039 T C -0.152 174.613 174.700 0.110 0.000 1.008 1039 T CA -0.172 61.812 62.100 -0.193 0.000 0.997 1039 T CB 1.017 69.470 68.868 -0.690 0.000 0.992 1039 T HN 2.025 nan 8.240 nan 0.000 0.454 1040 V N -1.476 118.661 119.914 0.371 0.000 3.078 1040 V HA 0.968 5.089 4.120 0.001 0.000 0.311 1040 V C -0.485 175.872 176.094 0.439 0.000 1.138 1040 V CA -0.908 61.652 62.300 0.433 0.000 1.007 1040 V CB 1.820 33.978 31.823 0.559 0.000 1.045 1040 V HN 1.113 nan 8.190 nan 0.000 0.432 1041 S N 2.400 118.335 115.700 0.390 0.000 2.536 1041 S HA 0.335 4.806 4.470 0.001 0.000 0.246 1041 S C 0.379 175.155 174.600 0.293 0.000 1.077 1041 S CA -0.102 58.282 58.200 0.307 0.000 1.091 1041 S CB 1.189 64.503 63.200 0.190 0.000 1.148 1041 S HN 1.020 nan 8.310 nan 0.000 0.447 1042 M N 4.055 123.779 119.600 0.205 0.000 2.088 1042 M HA -0.082 4.399 4.480 0.001 0.000 0.256 1042 M C 1.980 178.323 176.300 0.072 0.000 1.071 1042 M CA 2.711 58.028 55.300 0.028 0.000 1.097 1042 M CB -0.791 31.612 32.600 -0.329 0.000 1.315 1042 M HN 0.812 nan 8.290 nan 0.000 0.406 1043 G N -1.434 107.410 108.800 0.073 0.000 2.462 1043 G HA2 -0.309 3.651 3.960 0.001 0.000 0.220 1043 G HA3 -0.309 3.651 3.960 0.001 0.000 0.220 1043 G C 1.188 176.152 174.900 0.107 0.000 1.121 1043 G CA 1.147 46.291 45.100 0.075 0.000 0.758 1043 G HN 0.633 nan 8.290 nan 0.000 0.559 1044 Y N 0.689 121.016 120.300 0.045 0.000 2.231 1044 Y HA 0.321 4.871 4.550 0.000 0.000 0.294 1044 Y C 1.025 176.955 175.900 0.049 0.000 1.120 1044 Y CA 1.055 59.184 58.100 0.048 0.000 1.141 1044 Y CB 0.353 38.857 38.460 0.073 0.000 1.022 1044 Y HN 0.144 nan 8.280 nan 0.000 0.523 1045 S N -0.186 115.563 115.700 0.081 0.000 2.614 1045 S HA 0.281 4.752 4.470 0.001 0.000 0.259 1045 S C -0.152 174.517 174.600 0.116 0.000 1.118 1045 S CA -0.788 57.407 58.200 -0.008 0.000 1.065 1045 S CB 0.797 64.010 63.200 0.021 0.000 1.121 1045 S HN 0.346 nan 8.310 nan 0.000 0.458 1046 K N 2.467 122.856 120.400 -0.018 0.000 2.217 1046 K HA -0.083 4.238 4.320 0.001 0.000 0.202 1046 K C 1.594 178.246 176.600 0.087 0.000 1.051 1046 K CA 1.212 57.483 56.287 -0.027 0.000 0.952 1046 K CB -0.006 32.090 32.500 -0.673 0.000 0.736 1046 K HN 0.506 nan 8.250 nan 0.000 0.453 1047 Q N 0.956 120.760 119.800 0.007 0.000 2.050 1047 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 1047 Q C 2.108 178.181 176.000 0.122 0.000 0.980 1047 Q CA 1.292 57.115 55.803 0.033 0.000 0.840 1047 Q CB -0.253 28.478 28.738 -0.012 0.000 0.898 1047 Q HN 0.215 nan 8.270 nan 0.000 0.424 1048 Q N -0.359 119.545 119.800 0.173 0.000 2.167 1048 Q HA -0.143 4.198 4.340 0.001 0.000 0.202 1048 Q C 1.849 178.041 176.000 0.320 0.000 0.970 1048 Q CA 1.027 56.965 55.803 0.225 0.000 0.855 1048 Q CB -0.138 28.756 28.738 0.258 0.000 0.911 1048 Q HN 0.437 nan 8.270 nan 0.000 0.438 1049 F N 1.072 121.160 119.950 0.230 0.000 2.102 1049 F HA -0.155 4.373 4.527 0.001 0.000 0.298 1049 F C 1.896 177.862 175.800 0.277 0.000 1.105 1049 F CA 1.191 59.373 58.000 0.303 0.000 1.239 1049 F CB -0.551 38.678 39.000 0.382 0.000 0.991 1049 F HN 0.030 nan 8.300 nan 0.000 0.474 1050 L N 0.221 121.450 121.223 0.011 0.000 2.083 1050 L HA -0.216 4.124 4.340 0.001 0.000 0.209 1050 L C 2.593 179.453 176.870 -0.018 0.000 1.083 1050 L CA 1.772 56.541 54.840 -0.119 0.000 0.752 1050 L CB -0.751 41.319 42.059 0.018 0.000 0.899 1050 L HN 0.132 nan 8.230 nan 0.000 0.433 1051 K N 0.084 120.525 120.400 0.068 0.000 2.057 1051 K HA -0.158 4.162 4.320 0.001 0.000 0.207 1051 K C 1.993 178.669 176.600 0.127 0.000 1.049 1051 K CA 1.315 57.658 56.287 0.093 0.000 0.931 1051 K CB 0.010 32.575 32.500 0.109 0.000 0.714 1051 K HN 0.047 nan 8.250 nan 0.000 0.440 1052 V N 1.730 121.749 119.914 0.176 0.000 2.295 1052 V HA -0.269 3.852 4.120 0.001 0.000 0.246 1052 V C 2.324 178.538 176.094 0.200 0.000 1.049 1052 V CA 1.693 64.149 62.300 0.259 0.000 1.024 1052 V CB -0.393 31.648 31.823 0.363 0.000 0.648 1052 V HN 0.336 nan 8.190 nan 0.000 0.447 1053 L N -0.135 121.171 121.223 0.139 0.000 1.989 1053 L HA -0.263 4.078 4.340 0.001 0.000 0.211 1053 L C 2.625 179.698 176.870 0.338 0.000 1.071 1053 L CA 2.298 57.296 54.840 0.263 0.000 0.749 1053 L CB -0.746 41.377 42.059 0.107 0.000 0.890 1053 L HN 0.338 nan 8.230 nan 0.000 0.431 1054 K N 0.451 120.993 120.400 0.238 0.000 2.032 1054 K HA -0.228 4.093 4.320 0.001 0.000 0.209 1054 K C 1.944 178.598 176.600 0.091 0.000 1.048 1054 K CA 1.820 58.240 56.287 0.222 0.000 0.927 1054 K CB -0.022 32.555 32.500 0.128 0.000 0.712 1054 K HN 0.349 nan 8.250 nan 0.000 0.441 1055 E N -0.153 120.047 120.200 0.000 0.000 2.072 1055 E HA -0.170 4.181 4.350 0.001 0.000 0.191 1055 E C 2.015 178.291 176.600 -0.539 0.000 0.985 1055 E CA 0.986 57.281 56.400 -0.175 0.000 0.801 1055 E CB -0.108 29.542 29.700 -0.084 0.000 0.750 1055 E HN 0.445 nan 8.360 nan 0.000 0.452 1056 A N 1.633 124.089 122.820 -0.606 0.000 1.858 1056 A HA -0.222 4.098 4.320 0.001 0.000 0.216 1056 A C 2.161 179.571 177.584 -0.291 0.000 1.190 1056 A CA 1.335 52.980 52.037 -0.654 0.000 0.617 1056 A CB -0.385 18.517 19.000 -0.162 0.000 0.827 1056 A HN 0.108 nan 8.150 nan 0.000 0.443 1057 E N 0.646 120.738 120.200 -0.180 0.000 2.077 1057 E HA -0.152 4.198 4.350 0.001 0.000 0.193 1057 E C 2.311 178.829 176.600 -0.137 0.000 0.989 1057 E CA 1.677 57.928 56.400 -0.249 0.000 0.800 1057 E CB -0.248 29.213 29.700 -0.399 0.000 0.746 1057 E HN 0.671 nan 8.360 nan 0.000 0.452 1058 S N -0.161 115.510 115.700 -0.049 0.000 2.515 1058 S HA -0.079 4.392 4.470 0.001 0.000 0.231 1058 S C 0.872 175.469 174.600 -0.005 0.000 0.987 1058 S CA -0.352 57.843 58.200 -0.008 0.000 0.936 1058 S CB -0.539 62.681 63.200 0.033 0.000 0.766 1058 S HN 0.186 nan 8.310 nan 0.000 0.528 1059 F N 5.722 125.565 119.950 -0.179 0.000 2.571 1059 F HA 0.300 4.827 4.527 0.001 0.000 0.384 1059 F C -2.186 173.576 175.800 -0.063 0.000 1.058 1059 F CA -2.858 55.061 58.000 -0.135 0.000 1.200 1059 F CB 0.580 39.462 39.000 -0.196 0.000 1.077 1059 F HN 0.048 nan 8.300 nan 0.000 0.558 1060 P HA 0.272 nan 4.420 nan 0.000 0.226 1060 P C -0.110 176.779 177.300 -0.685 0.000 1.783 1060 P CA 0.371 63.169 63.100 -0.504 0.000 0.980 1060 P CB -0.096 31.430 31.700 -0.290 0.000 1.967 1061 G N 1.450 109.869 108.800 -0.635 0.000 2.348 1061 G HA2 0.339 4.300 3.960 0.001 0.000 0.296 1061 G HA3 0.339 4.300 3.960 0.001 0.000 0.296 1061 G C -3.595 171.423 174.900 0.197 0.000 1.258 1061 G CA -0.860 44.105 45.100 -0.225 0.000 0.868 1061 G HN -0.136 nan 8.290 nan 0.000 0.488 1062 P HA 0.483 nan 4.420 nan 0.000 0.280 1062 P C -0.716 176.785 177.300 0.335 0.000 1.244 1062 P CA 0.007 63.269 63.100 0.271 0.000 0.784 1062 P CB 1.529 33.340 31.700 0.186 0.000 0.913 1063 S N 2.478 118.292 115.700 0.189 0.000 2.521 1063 S HA 0.585 5.055 4.470 0.001 0.000 0.295 1063 S C -0.959 173.738 174.600 0.160 0.000 1.098 1063 S CA -0.686 57.623 58.200 0.183 0.000 0.999 1063 S CB 0.821 64.067 63.200 0.076 0.000 1.034 1063 S HN 0.364 nan 8.310 nan 0.000 0.483 1064 L N 3.773 125.123 121.223 0.212 0.000 2.372 1064 L HA 0.676 5.016 4.340 0.001 0.000 0.274 1064 L C -1.682 175.341 176.870 0.254 0.000 0.988 1064 L CA -0.573 54.386 54.840 0.198 0.000 0.833 1064 L CB 1.276 43.404 42.059 0.115 0.000 1.236 1064 L HN 0.447 nan 8.230 nan 0.000 0.410 1065 V N 6.204 126.316 119.914 0.331 0.000 2.487 1065 V HA 0.486 4.607 4.120 0.001 0.000 0.298 1065 V C -0.036 176.212 176.094 0.257 0.000 1.028 1065 V CA -0.407 62.125 62.300 0.387 0.000 0.860 1065 V CB 2.105 34.314 31.823 0.644 0.000 0.991 1065 V HN 0.553 nan 8.190 nan 0.000 0.427 1066 I N 4.202 124.879 120.570 0.178 0.000 2.362 1066 I HA 0.737 4.908 4.170 0.001 0.000 0.289 1066 I C 0.299 176.548 176.117 0.221 0.000 0.994 1066 I CA -0.471 60.907 61.300 0.131 0.000 1.158 1066 I CB 1.794 39.898 38.000 0.173 0.000 1.315 1066 I HN 0.671 nan 8.210 nan 0.000 0.451 1067 A N 5.690 128.469 122.820 -0.068 0.000 2.324 1067 A HA 0.489 4.810 4.320 0.001 0.000 0.330 1067 A C -1.230 176.203 177.584 -0.251 0.000 1.165 1067 A CA -0.421 51.484 52.037 -0.220 0.000 0.813 1067 A CB 0.735 19.146 19.000 -0.982 0.000 1.197 1067 A HN 0.634 nan 8.150 nan 0.000 0.484 1068 Y N 2.278 122.254 120.300 -0.540 0.000 2.486 1068 Y HA 0.443 4.994 4.550 0.001 0.000 0.348 1068 Y C 0.339 176.067 175.900 -0.288 0.000 1.000 1068 Y CA -0.173 57.372 58.100 -0.925 0.000 1.253 1068 Y CB 0.340 37.970 38.460 -1.382 0.000 1.140 1068 Y HN 0.770 nan 8.280 nan 0.000 0.526 1069 A N 5.372 127.826 122.820 -0.609 0.000 2.273 1069 A HA 0.507 4.828 4.320 0.001 0.000 0.315 1069 A C 0.041 177.374 177.584 -0.419 0.000 1.256 1069 A CA -0.415 51.460 52.037 -0.269 0.000 0.851 1069 A CB -0.018 18.912 19.000 -0.116 0.000 1.172 1069 A HN 0.787 nan 8.150 nan 0.000 0.508 1070 T N -0.882 113.536 114.554 -0.228 0.000 2.860 1070 T HA 0.481 4.832 4.350 0.001 0.000 0.299 1070 T C 0.077 174.721 174.700 -0.094 0.000 1.045 1070 T CA -0.480 61.526 62.100 -0.156 0.000 1.071 1070 T CB 1.015 69.877 68.868 -0.010 0.000 0.985 1070 T HN 1.242 nan 8.240 nan 0.000 0.537 1071 C N 2.644 121.902 119.300 -0.070 0.000 3.170 1071 C HA 0.522 4.982 4.460 0.001 0.000 0.319 1071 C C 1.698 176.673 174.990 -0.025 0.000 1.260 1071 C CA -0.912 58.084 59.018 -0.035 0.000 1.374 1071 C CB 0.181 27.897 27.740 -0.040 0.000 1.739 1071 C HN 1.084 nan 8.230 nan 0.000 0.479 1072 I N 1.109 121.675 120.570 -0.008 0.000 2.454 1072 I HA -0.089 4.082 4.170 0.001 0.000 0.254 1072 I C 1.643 177.745 176.117 -0.025 0.000 1.156 1072 I CA 1.895 63.189 61.300 -0.010 0.000 1.433 1072 I CB -0.615 37.387 38.000 0.002 0.000 1.082 1072 I HN 0.750 nan 8.210 nan 0.000 0.432 1073 N N 1.048 119.730 118.700 -0.029 0.000 2.289 1073 N HA -0.183 4.558 4.740 0.001 0.000 0.184 1073 N C 1.825 177.295 175.510 -0.066 0.000 1.016 1073 N CA 1.114 54.138 53.050 -0.044 0.000 0.872 1073 N CB -0.124 38.341 38.487 -0.037 0.000 0.973 1073 N HN 0.572 nan 8.380 nan 0.000 0.433 1074 Q N -0.172 119.589 119.800 -0.066 0.000 2.297 1074 Q HA 0.031 4.372 4.340 0.001 0.000 0.204 1074 Q C 0.807 176.757 176.000 -0.083 0.000 0.962 1074 Q CA 0.687 56.438 55.803 -0.086 0.000 0.879 1074 Q CB 0.311 29.012 28.738 -0.061 0.000 0.947 1074 Q HN 0.418 nan 8.270 nan 0.000 0.462 1075 G N 1.215 109.980 108.800 -0.058 0.000 2.291 1075 G HA2 -0.244 3.717 3.960 0.001 0.000 0.271 1075 G HA3 -0.244 3.717 3.960 0.001 0.000 0.271 1075 G C -0.256 174.619 174.900 -0.041 0.000 1.099 1075 G CA -0.376 44.695 45.100 -0.049 0.000 0.919 1075 G HN 0.217 nan 8.290 nan 0.000 0.496 1076 L N 0.194 121.397 121.223 -0.033 0.000 2.615 1076 L HA 0.040 4.380 4.340 0.001 0.000 0.271 1076 L C 2.270 179.127 176.870 -0.022 0.000 1.183 1076 L CA 0.622 55.444 54.840 -0.029 0.000 0.933 1076 L CB 0.184 42.236 42.059 -0.012 0.000 1.199 1076 L HN 0.659 nan 8.230 nan 0.000 0.487 1077 R N 3.374 123.859 120.500 -0.024 0.000 2.189 1077 R HA -0.093 4.248 4.340 0.001 0.000 0.223 1077 R C 0.859 177.154 176.300 -0.009 0.000 1.092 1077 R CA 1.082 57.172 56.100 -0.016 0.000 0.989 1077 R CB 0.027 30.317 30.300 -0.017 0.000 0.876 1077 R HN 0.570 nan 8.270 nan 0.000 0.457 1078 K N 0.477 120.874 120.400 -0.006 0.000 2.373 1078 K HA 0.219 4.540 4.320 0.001 0.000 0.202 1078 K C -0.121 176.481 176.600 0.004 0.000 1.025 1078 K CA 0.420 56.708 56.287 0.001 0.000 1.115 1078 K CB 1.479 33.981 32.500 0.004 0.000 0.858 1078 K HN 0.425 nan 8.250 nan 0.000 0.525 1079 G N 1.070 109.871 108.800 0.002 0.000 2.576 1079 G HA2 -0.169 3.791 3.960 0.001 0.000 0.686 1079 G HA3 -0.169 3.791 3.960 0.001 0.000 0.686 1079 G C 0.176 175.081 174.900 0.009 0.000 1.242 1079 G CA -0.883 44.220 45.100 0.005 0.000 0.819 1079 G HN -0.122 nan 8.290 nan 0.000 0.655 1080 M N 1.152 120.758 119.600 0.010 0.000 2.557 1080 M HA 0.037 4.518 4.480 0.001 0.000 0.259 1080 M C 2.449 178.759 176.300 0.016 0.000 1.086 1080 M CA 1.725 57.033 55.300 0.013 0.000 1.096 1080 M CB -0.975 31.634 32.600 0.014 0.000 1.424 1080 M HN 0.998 nan 8.290 nan 0.000 0.488 1081 G N -0.041 108.769 108.800 0.017 0.000 2.776 1081 G HA2 -0.124 3.837 3.960 0.001 0.000 0.209 1081 G HA3 -0.124 3.837 3.960 0.001 0.000 0.209 1081 G C 1.451 176.364 174.900 0.022 0.000 1.145 1081 G CA 0.328 45.439 45.100 0.018 0.000 0.791 1081 G HN 0.276 nan 8.290 nan 0.000 0.530 1082 K N 0.702 121.116 120.400 0.024 0.000 2.397 1082 K HA 0.253 4.574 4.320 0.001 0.000 0.202 1082 K C 1.999 178.627 176.600 0.046 0.000 1.022 1082 K CA -0.070 56.237 56.287 0.032 0.000 1.141 1082 K CB 0.504 33.021 32.500 0.029 0.000 0.857 1082 K HN 0.121 nan 8.250 nan 0.000 0.514 1083 S N 1.713 117.437 115.700 0.040 0.000 2.365 1083 S HA -0.171 4.300 4.470 0.001 0.000 0.225 1083 S C 1.769 176.412 174.600 0.071 0.000 1.039 1083 S CA 1.316 59.549 58.200 0.054 0.000 1.033 1083 S CB 0.038 63.253 63.200 0.024 0.000 0.887 1083 S HN 0.341 nan 8.310 nan 0.000 0.447 1084 Q N 0.736 120.562 119.800 0.043 0.000 2.084 1084 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 1084 Q C 1.901 177.943 176.000 0.070 0.000 0.978 1084 Q CA 1.474 57.304 55.803 0.044 0.000 0.844 1084 Q CB -0.743 28.007 28.738 0.020 0.000 0.898 1084 Q HN 0.551 nan 8.270 nan 0.000 0.426 1085 D N -0.106 120.334 120.400 0.066 0.000 2.144 1085 D HA -0.109 4.532 4.640 0.001 0.000 0.199 1085 D C 1.865 178.234 176.300 0.115 0.000 0.984 1085 D CA 0.668 54.714 54.000 0.076 0.000 0.834 1085 D CB 0.235 41.071 40.800 0.061 0.000 0.955 1085 D HN -0.005 nan 8.370 nan 0.000 0.465 1086 V N 0.213 120.211 119.914 0.139 0.000 2.427 1086 V HA -0.218 3.903 4.120 0.001 0.000 0.248 1086 V C 2.402 178.642 176.094 0.243 0.000 1.051 1086 V CA 1.498 63.934 62.300 0.227 0.000 1.048 1086 V CB -0.400 31.550 31.823 0.211 0.000 0.666 1086 V HN 0.319 nan 8.190 nan 0.000 0.456 1087 M N -0.102 119.615 119.600 0.194 0.000 2.213 1087 M HA -0.177 4.303 4.480 0.001 0.000 0.263 1087 M C 2.102 178.447 176.300 0.076 0.000 1.062 1087 M CA 1.884 57.267 55.300 0.139 0.000 1.105 1087 M CB -0.681 32.028 32.600 0.181 0.000 1.385 1087 M HN 0.470 nan 8.290 nan 0.000 0.417 1088 N N -0.418 118.356 118.700 0.123 0.000 2.106 1088 N HA -0.134 4.606 4.740 0.001 0.000 0.188 1088 N C 1.356 176.931 175.510 0.108 0.000 1.029 1088 N CA 1.553 54.709 53.050 0.177 0.000 0.848 1088 N CB 0.183 38.750 38.487 0.133 0.000 1.007 1088 N HN 0.212 nan 8.380 nan 0.000 0.423 1089 T N 0.458 115.044 114.554 0.054 0.000 2.867 1089 T HA -0.015 4.335 4.350 0.001 0.000 0.268 1089 T C 1.885 176.372 174.700 -0.355 0.000 1.057 1089 T CA 0.960 63.041 62.100 -0.032 0.000 1.136 1089 T CB -0.301 68.645 68.868 0.130 0.000 0.874 1089 T HN 0.404 nan 8.240 nan 0.000 0.466 1090 A N 0.928 123.458 122.820 -0.484 0.000 1.940 1090 A HA -0.083 4.237 4.320 0.001 0.000 0.219 1090 A C 2.524 179.868 177.584 -0.399 0.000 1.176 1090 A CA 1.551 53.068 52.037 -0.868 0.000 0.631 1090 A CB -0.879 17.630 19.000 -0.818 0.000 0.814 1090 A HN 0.387 nan 8.150 nan 0.000 0.446 1091 V N -0.204 119.557 119.914 -0.256 0.000 2.302 1091 V HA -0.189 3.931 4.120 0.001 0.000 0.243 1091 V C 2.348 178.277 176.094 -0.276 0.000 1.036 1091 V CA 2.040 64.176 62.300 -0.274 0.000 1.020 1091 V CB -0.694 30.754 31.823 -0.625 0.000 0.657 1091 V HN 0.510 nan 8.190 nan 0.000 0.453 1092 K N 1.308 121.599 120.400 -0.181 0.000 2.113 1092 K HA -0.185 4.136 4.320 0.001 0.000 0.208 1092 K C 2.266 178.782 176.600 -0.140 0.000 1.047 1092 K CA 1.884 58.118 56.287 -0.089 0.000 0.928 1092 K CB -0.416 32.099 32.500 0.025 0.000 0.716 1092 K HN 0.630 nan 8.250 nan 0.000 0.446 1093 S N -0.626 114.960 115.700 -0.190 0.000 2.481 1093 S HA 0.011 4.482 4.470 0.001 0.000 0.231 1093 S C 1.552 176.058 174.600 -0.156 0.000 0.996 1093 S CA 0.770 58.862 58.200 -0.181 0.000 0.942 1093 S CB 0.021 63.059 63.200 -0.270 0.000 0.768 1093 S HN 0.498 nan 8.310 nan 0.000 0.520 1094 G N 0.125 108.831 108.800 -0.157 0.000 2.175 1094 G HA2 -0.379 3.582 3.960 0.001 0.000 0.244 1094 G HA3 -0.379 3.582 3.960 0.001 0.000 0.244 1094 G C 0.362 175.266 174.900 0.006 0.000 0.982 1094 G CA 0.371 45.407 45.100 -0.107 0.000 0.641 1094 G HN 0.575 nan 8.290 nan 0.000 0.527 1095 Y N -0.311 119.882 120.300 -0.179 0.000 2.181 1095 Y HA 0.170 4.721 4.550 0.001 0.000 0.288 1095 Y C 1.344 177.262 175.900 0.029 0.000 1.146 1095 Y CA 2.048 60.079 58.100 -0.115 0.000 1.164 1095 Y CB 0.188 38.446 38.460 -0.336 0.000 0.982 1095 Y HN 0.346 nan 8.280 nan 0.000 0.515 1096 W N 4.731 125.960 121.300 -0.120 0.000 2.319 1096 W HA 0.316 4.976 4.660 0.000 0.000 0.288 1096 W C -2.951 173.508 176.519 -0.100 0.000 0.959 1096 W CA -2.302 54.962 57.345 -0.134 0.000 1.784 1096 W CB 0.712 30.064 29.460 -0.181 0.000 1.848 1096 W HN -0.015 nan 8.180 nan 0.000 0.408 1097 P HA 0.109 nan 4.420 nan 0.000 0.271 1097 P C -0.412 176.855 177.300 -0.056 0.000 1.216 1097 P CA 0.308 63.456 63.100 0.080 0.000 0.776 1097 P CB 1.843 33.720 31.700 0.294 0.000 0.881 1098 L N 4.206 125.423 121.223 -0.011 0.000 2.322 1098 L HA 0.601 4.941 4.340 0.001 0.000 0.279 1098 L C 0.245 177.100 176.870 -0.026 0.000 1.036 1098 L CA -0.664 54.110 54.840 -0.110 0.000 0.807 1098 L CB 0.472 42.549 42.059 0.031 0.000 1.226 1098 L HN 0.457 nan 8.230 nan 0.000 0.433 1099 F N 0.237 120.154 119.950 -0.055 0.000 2.773 1099 F HA 0.725 5.252 4.527 0.001 0.000 0.314 1099 F C -1.183 174.495 175.800 -0.203 0.000 1.160 1099 F CA -1.361 56.504 58.000 -0.226 0.000 0.920 1099 F CB 1.519 40.298 39.000 -0.367 0.000 1.323 1099 F HN 0.236 nan 8.300 nan 0.000 0.457 1100 R N 0.677 121.145 120.500 -0.052 0.000 2.621 1100 R HA 0.477 4.818 4.340 0.001 0.000 0.284 1100 R C -2.367 173.809 176.300 -0.207 0.000 0.998 1100 R CA -0.996 55.027 56.100 -0.129 0.000 0.895 1100 R CB 2.684 32.921 30.300 -0.106 0.000 1.195 1100 R HN 0.840 nan 8.270 nan 0.000 0.450 1101 Y N 2.151 122.218 120.300 -0.389 0.000 2.376 1101 Y HA 0.262 4.812 4.550 0.001 0.000 0.326 1101 Y C -1.154 174.417 175.900 -0.549 0.000 0.970 1101 Y CA -0.728 57.201 58.100 -0.286 0.000 1.248 1101 Y CB 1.137 39.535 38.460 -0.103 0.000 1.117 1101 Y HN 0.462 nan 8.280 nan 0.000 0.476 1102 D N 8.393 128.420 120.400 -0.622 0.000 2.453 1102 D HA 0.325 4.965 4.640 0.001 0.000 0.238 1102 D C -2.176 173.852 176.300 -0.454 0.000 1.088 1102 D CA -2.504 51.256 54.000 -0.401 0.000 0.854 1102 D CB 2.290 43.036 40.800 -0.091 0.000 1.076 1102 D HN 0.298 nan 8.370 nan 0.000 0.533 1103 P HA -0.156 nan 4.420 nan 0.000 0.217 1103 P C 1.226 178.279 177.300 -0.412 0.000 1.148 1103 P CA 1.124 63.948 63.100 -0.461 0.000 0.828 1103 P CB 0.115 31.453 31.700 -0.605 0.000 0.783 1104 R N -0.433 119.893 120.500 -0.289 0.000 2.237 1104 R HA -0.005 4.335 4.340 0.001 0.000 0.219 1104 R C 1.884 178.183 176.300 -0.001 0.000 1.080 1104 R CA 0.956 57.039 56.100 -0.027 0.000 0.995 1104 R CB -1.361 28.998 30.300 0.098 0.000 0.875 1104 R HN 0.253 nan 8.270 nan 0.000 0.462 1105 L N 0.901 122.062 121.223 -0.105 0.000 2.109 1105 L HA -0.007 4.334 4.340 0.001 0.000 0.207 1105 L C 2.771 179.541 176.870 -0.167 0.000 1.086 1105 L CA 1.117 55.873 54.840 -0.141 0.000 0.760 1105 L CB -0.490 41.437 42.059 -0.219 0.000 0.910 1105 L HN 0.307 nan 8.230 nan 0.000 0.437 1106 A N 0.075 122.803 122.820 -0.153 0.000 1.972 1106 A HA -0.125 4.196 4.320 0.001 0.000 0.219 1106 A C 2.461 180.098 177.584 0.088 0.000 1.169 1106 A CA 1.517 53.513 52.037 -0.068 0.000 0.635 1106 A CB -0.519 18.507 19.000 0.043 0.000 0.810 1106 A HN 0.392 nan 8.150 nan 0.000 0.446 1107 A N -0.764 122.155 122.820 0.166 0.000 2.067 1107 A HA -0.121 4.199 4.320 0.001 0.000 0.219 1107 A C 1.870 179.526 177.584 0.120 0.000 1.158 1107 A CA 1.350 53.516 52.037 0.215 0.000 0.661 1107 A CB -0.353 18.862 19.000 0.357 0.000 0.801 1107 A HN 0.657 nan 8.150 nan 0.000 0.452 1108 Q N -1.380 118.457 119.800 0.062 0.000 2.280 1108 Q HA 0.308 4.648 4.340 0.001 0.000 0.202 1108 Q C 0.902 176.915 176.000 0.021 0.000 0.903 1108 Q CA 0.244 56.068 55.803 0.034 0.000 0.948 1108 Q CB 0.231 28.973 28.738 0.007 0.000 1.058 1108 Q HN 0.792 nan 8.270 nan 0.000 0.493 1109 G N 1.472 110.297 108.800 0.042 0.000 2.147 1109 G HA2 -0.294 3.667 3.960 0.001 0.000 0.244 1109 G HA3 -0.294 3.667 3.960 0.001 0.000 0.244 1109 G C -0.137 174.743 174.900 -0.035 0.000 1.005 1109 G CA 0.284 45.454 45.100 0.116 0.000 0.713 1109 G HN 0.232 nan 8.290 nan 0.000 0.515 1110 K N -0.615 119.556 120.400 -0.382 0.000 2.295 1110 K HA 0.470 4.790 4.320 0.001 0.000 0.239 1110 K C -0.088 175.678 176.600 -1.390 0.000 0.991 1110 K CA -1.137 54.720 56.287 -0.716 0.000 0.845 1110 K CB 0.824 33.130 32.500 -0.324 0.000 1.197 1110 K HN 0.050 nan 8.250 nan 0.000 0.441 1111 N N 2.807 120.739 118.700 -1.280 0.000 2.438 1111 N HA 0.025 4.766 4.740 0.001 0.000 0.267 1111 N C -1.713 173.533 175.510 -0.440 0.000 1.222 1111 N CA -1.717 50.844 53.050 -0.814 0.000 0.930 1111 N CB 0.732 39.131 38.487 -0.147 0.000 1.083 1111 N HN 0.301 nan 8.380 nan 0.000 0.476 1112 P HA -0.099 nan 4.420 nan 0.000 0.221 1112 P C 0.195 177.211 177.300 -0.475 0.000 1.150 1112 P CA 0.620 63.389 63.100 -0.552 0.000 0.800 1112 P CB 0.074 31.235 31.700 -0.898 0.000 0.787 1113 F N 1.896 121.635 119.950 -0.353 0.000 2.438 1113 F HA 0.268 4.795 4.527 0.001 0.000 0.356 1113 F C 0.114 175.860 175.800 -0.091 0.000 1.099 1113 F CA -0.206 57.718 58.000 -0.128 0.000 1.185 1113 F CB 0.538 39.546 39.000 0.013 0.000 1.115 1113 F HN -0.154 nan 8.300 nan 0.000 0.526 1114 Q N 6.645 125.994 119.800 -0.752 0.000 2.292 1114 Q HA 0.399 4.740 4.340 0.001 0.000 0.270 1114 Q C -1.234 174.405 176.000 -0.602 0.000 1.024 1114 Q CA -0.737 54.774 55.803 -0.485 0.000 0.768 1114 Q CB 2.670 31.260 28.738 -0.247 0.000 1.250 1114 Q HN 0.670 nan 8.270 nan 0.000 0.447 1115 L N 3.087 124.090 121.223 -0.366 0.000 2.281 1115 L HA 0.192 4.533 4.340 0.001 0.000 0.285 1115 L C -0.048 176.814 176.870 -0.014 0.000 1.074 1115 L CA 0.037 54.776 54.840 -0.167 0.000 0.817 1115 L CB 0.723 42.753 42.059 -0.049 0.000 1.168 1115 L HN 0.770 nan 8.230 nan 0.000 0.434 1116 D N 1.144 121.573 120.400 0.048 0.000 2.349 1116 D HA 0.055 4.696 4.640 0.001 0.000 0.214 1116 D C 0.577 176.995 176.300 0.197 0.000 1.063 1116 D CA 0.310 54.380 54.000 0.115 0.000 0.847 1116 D CB 0.639 41.513 40.800 0.124 0.000 0.933 1116 D HN 0.545 nan 8.370 nan 0.000 0.513 1117 S N -0.951 114.861 115.700 0.187 0.000 2.745 1117 S HA 0.666 5.136 4.470 0.001 0.000 0.306 1117 S C -0.203 174.566 174.600 0.282 0.000 1.137 1117 S CA -0.846 57.459 58.200 0.176 0.000 0.900 1117 S CB 2.528 65.685 63.200 -0.072 0.000 1.176 1117 S HN -0.237 nan 8.310 nan 0.000 0.520 1118 K N 0.171 120.677 120.400 0.177 0.000 2.168 1118 K HA 0.775 5.095 4.320 0.001 0.000 0.239 1118 K C -0.011 176.386 176.600 -0.338 0.000 0.999 1118 K CA -0.658 55.694 56.287 0.109 0.000 0.900 1118 K CB 0.934 33.468 32.500 0.057 0.000 1.111 1118 K HN 0.837 nan 8.250 nan 0.000 0.452 1119 A N 1.764 124.270 122.820 -0.524 0.000 2.507 1119 A HA 0.167 4.488 4.320 0.001 0.000 0.235 1119 A C -2.151 175.022 177.584 -0.685 0.000 1.070 1119 A CA -0.778 50.597 52.037 -1.103 0.000 0.768 1119 A CB -0.752 17.997 19.000 -0.418 0.000 1.011 1119 A HN 0.398 nan 8.150 nan 0.000 0.502 1120 P HA -0.013 nan 4.420 nan 0.000 0.260 1120 P C -0.224 176.955 177.300 -0.202 0.000 1.172 1120 P CA 0.662 63.565 63.100 -0.329 0.000 0.760 1120 P CB 0.443 32.004 31.700 -0.232 0.000 0.773 1121 D N 2.445 122.759 120.400 -0.144 0.000 2.340 1121 D HA 0.062 4.703 4.640 0.001 0.000 0.220 1121 D C 1.321 177.587 176.300 -0.057 0.000 1.039 1121 D CA 0.439 54.387 54.000 -0.086 0.000 0.866 1121 D CB -0.587 40.178 40.800 -0.058 0.000 0.913 1121 D HN 0.522 nan 8.370 nan 0.000 0.523 1122 G N 0.172 108.936 108.800 -0.059 0.000 2.157 1122 G HA2 -0.322 3.639 3.960 0.001 0.000 0.248 1122 G HA3 -0.322 3.639 3.960 0.001 0.000 0.248 1122 G C 0.947 175.836 174.900 -0.019 0.000 0.979 1122 G CA 0.614 45.695 45.100 -0.032 0.000 0.650 1122 G HN 0.702 nan 8.290 nan 0.000 0.529 1123 S N -0.443 115.242 115.700 -0.024 0.000 2.575 1123 S HA 0.272 4.743 4.470 0.001 0.000 0.215 1123 S C 2.382 176.992 174.600 0.016 0.000 0.966 1123 S CA 1.251 59.450 58.200 -0.002 0.000 0.911 1123 S CB 0.243 63.443 63.200 0.000 0.000 0.780 1123 S HN 1.572 nan 8.310 nan 0.000 0.514 1124 V N 0.404 120.316 119.914 -0.003 0.000 2.278 1124 V HA -0.267 3.854 4.120 0.001 0.000 0.251 1124 V C 2.539 178.661 176.094 0.047 0.000 1.062 1124 V CA 2.375 64.689 62.300 0.023 0.000 1.038 1124 V CB -1.475 30.359 31.823 0.019 0.000 0.646 1124 V HN 0.526 nan 8.190 nan 0.000 0.447 1125 E N 2.183 122.392 120.200 0.016 0.000 2.049 1125 E HA 0.013 4.364 4.350 0.001 0.000 0.198 1125 E C 1.007 177.606 176.600 -0.001 0.000 1.007 1125 E CA 2.452 58.851 56.400 -0.002 0.000 0.809 1125 E CB -0.268 29.435 29.700 0.004 0.000 0.749 1125 E HN 1.052 nan 8.360 nan 0.000 0.450 1126 E N -3.364 116.850 120.200 0.024 0.000 0.000 1126 E HA 0.481 4.831 4.350 0.001 0.000 0.000 1126 E C -0.186 nan 176.600 nan 0.000 0.000 1126 E CA -0.087 56.327 56.400 0.024 0.000 0.000 1126 E CB -0.503 nan 29.700 nan 0.000 0.000 1126 E HN 0.274 nan 8.360 nan 0.000 0.000 1127 F N -1.535 118.353 119.950 -0.105 0.000 0.000 1127 F HA 0.173 4.699 4.527 -0.000 0.000 0.000 1127 F C 0.990 176.685 175.800 -0.175 0.000 0.000 1127 F CA 0.974 58.887 58.000 -0.144 0.000 0.000 1127 F CB -0.527 38.347 39.000 -0.211 0.000 0.000 1127 F HN 0.491 nan 8.300 nan 0.000 0.000 1128 L N 1.228 122.279 121.223 -0.287 0.000 1.976 1128 L HA -0.173 4.167 4.340 0.001 0.000 0.209 1128 L C 2.209 178.980 176.870 -0.165 0.000 1.071 1128 L CA 1.458 56.000 54.840 -0.498 0.000 0.746 1128 L CB -0.695 41.006 42.059 -0.596 0.000 0.890 1128 L HN 0.212 nan 8.230 nan 0.000 0.432 1129 M N -0.232 119.315 119.600 -0.088 0.000 2.629 1129 M HA -0.091 4.390 4.480 0.001 0.000 0.257 1129 M C 2.010 178.295 176.300 -0.025 0.000 1.071 1129 M CA 1.007 56.299 55.300 -0.014 0.000 1.077 1129 M CB -1.215 31.381 32.600 -0.006 0.000 1.423 1129 M HN 0.284 nan 8.290 nan 0.000 0.508 1130 A N -0.279 122.494 122.820 -0.078 0.000 2.251 1130 A HA 0.080 4.400 4.320 0.001 0.000 0.209 1130 A C 0.630 178.165 177.584 -0.081 0.000 1.187 1130 A CA 0.126 52.118 52.037 -0.074 0.000 0.823 1130 A CB 0.002 18.950 19.000 -0.087 0.000 0.846 1130 A HN 0.516 nan 8.150 nan 0.000 0.486 1131 Q N -0.559 119.206 119.800 -0.059 0.000 2.330 1131 Q HA 0.255 4.596 4.340 0.001 0.000 0.269 1131 Q C 0.273 176.277 176.000 0.008 0.000 1.022 1131 Q CA -0.624 55.159 55.803 -0.033 0.000 0.796 1131 Q CB 1.448 30.168 28.738 -0.030 0.000 1.271 1131 Q HN 0.438 nan 8.270 nan 0.000 0.450 1132 N N 2.345 121.026 118.700 -0.032 0.000 2.205 1132 N HA -0.205 4.536 4.740 0.001 0.000 0.186 1132 N C 1.400 176.867 175.510 -0.072 0.000 1.015 1132 N CA 1.279 54.307 53.050 -0.036 0.000 0.862 1132 N CB 0.311 38.771 38.487 -0.044 0.000 0.986 1132 N HN 0.566 nan 8.380 nan 0.000 0.429 1133 R N -0.913 119.488 120.500 -0.165 0.000 2.200 1133 R HA -0.105 4.235 4.340 0.001 0.000 0.234 1133 R C 1.187 177.248 176.300 -0.398 0.000 1.127 1133 R CA 1.320 57.231 56.100 -0.315 0.000 0.989 1133 R CB -0.489 29.533 30.300 -0.464 0.000 0.869 1133 R HN 0.264 nan 8.270 nan 0.000 0.459 1134 F N 0.390 120.328 119.950 -0.019 0.000 2.490 1134 F HA 0.369 4.897 4.527 0.002 0.000 0.280 1134 F C 2.710 178.511 175.800 0.002 0.000 1.030 1134 F CA 0.222 58.222 58.000 -0.000 0.000 1.367 1134 F CB -0.182 38.803 39.000 -0.024 0.000 1.131 1134 F HN 0.039 nan 8.300 nan 0.000 0.632 1135 A N 0.702 123.620 122.820 0.164 0.000 1.940 1135 A HA -0.178 4.143 4.320 0.001 0.000 0.219 1135 A C 2.250 179.866 177.584 0.053 0.000 1.176 1135 A CA 2.210 54.298 52.037 0.085 0.000 0.631 1135 A CB -1.391 17.635 19.000 0.043 0.000 0.814 1135 A HN 0.295 nan 8.150 nan 0.000 0.446 1136 V N -2.263 117.670 119.914 0.031 0.000 2.490 1136 V HA -0.187 3.934 4.120 0.001 0.000 0.250 1136 V C 2.168 178.283 176.094 0.035 0.000 1.061 1136 V CA 1.774 64.081 62.300 0.011 0.000 1.064 1136 V CB -1.001 30.817 31.823 -0.008 0.000 0.670 1136 V HN 0.416 nan 8.190 nan 0.000 0.461 1137 L N 1.176 122.455 121.223 0.093 0.000 2.093 1137 L HA -0.131 4.210 4.340 0.001 0.000 0.208 1137 L C 2.304 179.257 176.870 0.137 0.000 1.085 1137 L CA 2.783 57.727 54.840 0.173 0.000 0.755 1137 L CB -1.207 40.975 42.059 0.205 0.000 0.904 1137 L HN 0.516 nan 8.230 nan 0.000 0.435 1138 D N -0.493 119.968 120.400 0.102 0.000 2.178 1138 D HA -0.196 4.444 4.640 0.001 0.000 0.201 1138 D C 2.243 178.557 176.300 0.024 0.000 0.980 1138 D CA 1.163 55.207 54.000 0.073 0.000 0.842 1138 D CB 0.199 41.036 40.800 0.063 0.000 0.948 1138 D HN 0.255 nan 8.370 nan 0.000 0.472 1139 R N -0.584 119.912 120.500 -0.007 0.000 2.161 1139 R HA 0.109 4.449 4.340 0.001 0.000 0.213 1139 R C 2.104 178.326 176.300 -0.131 0.000 1.055 1139 R CA 0.899 56.968 56.100 -0.052 0.000 0.996 1139 R CB 0.154 30.425 30.300 -0.049 0.000 0.901 1139 R HN 0.091 nan 8.270 nan 0.000 0.456 1140 S N -0.073 115.503 115.700 -0.206 0.000 2.427 1140 S HA 0.130 4.600 4.470 0.001 0.000 0.224 1140 S C 0.241 174.362 174.600 -0.798 0.000 1.047 1140 S CA 0.540 58.412 58.200 -0.547 0.000 0.953 1140 S CB 0.320 63.105 63.200 -0.692 0.000 0.824 1140 S HN 0.115 nan 8.310 nan 0.000 0.502 1141 F N 1.007 120.970 119.950 0.020 0.000 2.622 1141 F HA 0.404 4.931 4.527 0.001 0.000 0.338 1141 F C -2.369 173.448 175.800 0.028 0.000 1.334 1141 F CA -2.121 55.894 58.000 0.024 0.000 1.179 1141 F CB 1.116 40.133 39.000 0.028 0.000 1.471 1141 F HN -0.026 nan 8.300 nan 0.000 0.576 1142 P HA -0.227 nan 4.420 nan 0.000 0.216 1142 P C 1.278 178.636 177.300 0.096 0.000 1.157 1142 P CA 1.891 65.041 63.100 0.083 0.000 0.880 1142 P CB 0.333 32.059 31.700 0.043 0.000 0.791 1143 E N -0.852 119.409 120.200 0.103 0.000 2.047 1143 E HA -0.178 4.173 4.350 0.001 0.000 0.191 1143 E C 1.758 178.411 176.600 0.088 0.000 0.987 1143 E CA 1.194 57.644 56.400 0.084 0.000 0.799 1143 E CB -0.545 29.200 29.700 0.076 0.000 0.752 1143 E HN 0.246 nan 8.360 nan 0.000 0.449 1144 D N 0.450 120.919 120.400 0.114 0.000 2.117 1144 D HA -0.114 4.527 4.640 0.001 0.000 0.197 1144 D C 1.852 178.213 176.300 0.102 0.000 0.987 1144 D CA 1.256 55.309 54.000 0.088 0.000 0.829 1144 D CB -0.292 40.545 40.800 0.062 0.000 0.961 1144 D HN 0.161 nan 8.370 nan 0.000 0.460 1145 A N 1.667 124.569 122.820 0.137 0.000 1.865 1145 A HA -0.254 4.067 4.320 0.001 0.000 0.217 1145 A C 2.027 179.673 177.584 0.102 0.000 1.191 1145 A CA 2.495 54.614 52.037 0.136 0.000 0.623 1145 A CB -0.654 18.434 19.000 0.146 0.000 0.826 1145 A HN 0.400 nan 8.150 nan 0.000 0.444 1146 K N -0.614 119.834 120.400 0.081 0.000 2.147 1146 K HA -0.148 4.173 4.320 0.001 0.000 0.205 1146 K C 2.123 178.756 176.600 0.054 0.000 1.049 1146 K CA 1.526 57.849 56.287 0.059 0.000 0.936 1146 K CB -0.265 32.264 32.500 0.047 0.000 0.722 1146 K HN 0.402 nan 8.250 nan 0.000 0.446 1147 R N 0.927 121.462 120.500 0.057 0.000 2.119 1147 R HA 0.070 4.411 4.340 0.001 0.000 0.222 1147 R C 2.225 178.560 176.300 0.059 0.000 1.088 1147 R CA 0.669 56.797 56.100 0.047 0.000 0.984 1147 R CB -0.090 30.234 30.300 0.040 0.000 0.884 1147 R HN 0.235 nan 8.270 nan 0.000 0.447 1148 L N -0.078 121.192 121.223 0.078 0.000 2.156 1148 L HA -0.049 4.292 4.340 0.001 0.000 0.208 1148 L C 2.526 179.457 176.870 0.102 0.000 1.095 1148 L CA 1.029 55.928 54.840 0.099 0.000 0.770 1148 L CB -0.238 41.896 42.059 0.125 0.000 0.914 1148 L HN 0.135 nan 8.230 nan 0.000 0.439 1149 R N -0.065 120.485 120.500 0.082 0.000 2.090 1149 R HA -0.059 4.281 4.340 0.001 0.000 0.228 1149 R C 2.398 178.728 176.300 0.049 0.000 1.110 1149 R CA 1.196 57.322 56.100 0.044 0.000 0.973 1149 R CB -0.376 29.935 30.300 0.019 0.000 0.869 1149 R HN 0.312 nan 8.270 nan 0.000 0.440 1150 A N 0.994 123.846 122.820 0.053 0.000 1.930 1150 A HA -0.216 4.104 4.320 0.001 0.000 0.217 1150 A C 2.085 179.719 177.584 0.083 0.000 1.175 1150 A CA 1.165 53.235 52.037 0.055 0.000 0.627 1150 A CB -0.389 18.633 19.000 0.037 0.000 0.815 1150 A HN 0.333 nan 8.150 nan 0.000 0.443 1151 Q N -0.330 119.520 119.800 0.084 0.000 2.079 1151 Q HA -0.117 4.223 4.340 0.001 0.000 0.200 1151 Q C 1.958 178.043 176.000 0.140 0.000 0.974 1151 Q CA 1.805 57.675 55.803 0.112 0.000 0.840 1151 Q CB -0.190 28.604 28.738 0.093 0.000 0.898 1151 Q HN 0.393 nan 8.270 nan 0.000 0.430 1152 V N 0.951 120.937 119.914 0.121 0.000 2.332 1152 V HA -0.294 3.826 4.120 0.001 0.000 0.248 1152 V C 2.337 178.500 176.094 0.114 0.000 1.055 1152 V CA 1.861 64.237 62.300 0.127 0.000 1.038 1152 V CB -0.987 30.917 31.823 0.135 0.000 0.651 1152 V HN 0.532 nan 8.190 nan 0.000 0.450 1153 A N -1.269 121.612 122.820 0.102 0.000 1.972 1153 A HA -0.287 4.033 4.320 0.001 0.000 0.219 1153 A C 2.240 179.883 177.584 0.099 0.000 1.169 1153 A CA 1.992 54.081 52.037 0.086 0.000 0.635 1153 A CB -0.822 18.219 19.000 0.069 0.000 0.810 1153 A HN 0.741 nan 8.150 nan 0.000 0.446 1154 H N -0.318 118.771 119.070 0.032 0.000 2.363 1154 H HA -0.050 4.506 4.556 0.001 0.000 0.301 1154 H C 1.906 177.251 175.328 0.028 0.000 1.074 1154 H CA 1.533 57.597 56.048 0.026 0.000 1.354 1154 H CB 0.071 29.846 29.762 0.023 0.000 1.397 1154 H HN 0.646 nan 8.280 nan 0.000 0.516 1155 E N 0.619 120.814 120.200 -0.008 0.000 2.049 1155 E HA -0.203 4.148 4.350 0.001 0.000 0.198 1155 E C 2.478 179.028 176.600 -0.084 0.000 1.007 1155 E CA 1.659 58.021 56.400 -0.063 0.000 0.809 1155 E CB -0.148 29.564 29.700 0.020 0.000 0.749 1155 E HN 0.464 nan 8.360 nan 0.000 0.450 1156 L N 0.123 121.329 121.223 -0.028 0.000 2.201 1156 L HA -0.051 4.289 4.340 0.001 0.000 0.212 1156 L C 1.872 178.747 176.870 0.009 0.000 1.105 1156 L CA 2.034 56.870 54.840 -0.006 0.000 0.775 1156 L CB -0.567 41.506 42.059 0.022 0.000 0.913 1156 L HN -0.070 nan 8.230 nan 0.000 0.440 1157 D N 0.385 120.762 120.400 -0.039 0.000 2.097 1157 D HA -0.169 4.472 4.640 0.001 0.000 0.197 1157 D C 1.954 178.234 176.300 -0.033 0.000 0.984 1157 D CA 1.629 55.612 54.000 -0.028 0.000 0.826 1157 D CB -0.026 40.743 40.800 -0.051 0.000 0.973 1157 D HN 0.147 nan 8.370 nan 0.000 0.460 1158 V N 0.266 120.083 119.914 -0.161 0.000 2.358 1158 V HA -0.165 3.955 4.120 0.001 0.000 0.246 1158 V C 2.644 178.692 176.094 -0.077 0.000 1.047 1158 V CA 1.909 64.121 62.300 -0.147 0.000 1.035 1158 V CB -0.637 31.035 31.823 -0.252 0.000 0.658 1158 V HN 0.215 nan 8.190 nan 0.000 0.452 1159 R N -0.741 119.718 120.500 -0.068 0.000 2.081 1159 R HA -0.183 4.158 4.340 0.001 0.000 0.235 1159 R C 2.223 178.498 176.300 -0.041 0.000 1.131 1159 R CA 1.810 57.867 56.100 -0.071 0.000 0.960 1159 R CB -0.385 29.875 30.300 -0.066 0.000 0.856 1159 R HN 0.451 nan 8.270 nan 0.000 0.436 1160 F N 1.446 121.353 119.950 -0.071 0.000 2.134 1160 F HA -0.126 4.403 4.527 0.003 0.000 0.299 1160 F C 1.882 177.667 175.800 -0.025 0.000 1.097 1160 F CA 1.651 59.631 58.000 -0.034 0.000 1.264 1160 F CB 0.062 39.049 39.000 -0.022 0.000 1.001 1160 F HN -0.069 nan 8.300 nan 0.000 0.479 1161 K N -0.033 120.434 120.400 0.110 0.000 2.097 1161 K HA -0.205 4.115 4.320 0.001 0.000 0.206 1161 K C 1.941 178.529 176.600 -0.021 0.000 1.049 1161 K CA 1.837 58.158 56.287 0.057 0.000 0.933 1161 K CB -0.238 32.298 32.500 0.061 0.000 0.717 1161 K HN 0.361 nan 8.250 nan 0.000 0.442 1162 E N 0.586 120.736 120.200 -0.083 0.000 2.150 1162 E HA -0.115 4.236 4.350 0.001 0.000 0.193 1162 E C 1.872 178.323 176.600 -0.248 0.000 0.985 1162 E CA 0.711 57.023 56.400 -0.146 0.000 0.814 1162 E CB 0.074 29.649 29.700 -0.209 0.000 0.752 1162 E HN 0.227 nan 8.360 nan 0.000 0.466 1163 L N 0.623 121.649 121.223 -0.329 0.000 2.109 1163 L HA -0.128 4.213 4.340 0.001 0.000 0.207 1163 L C 2.139 178.868 176.870 -0.235 0.000 1.086 1163 L CA 0.984 55.573 54.840 -0.419 0.000 0.760 1163 L CB -0.275 41.541 42.059 -0.406 0.000 0.910 1163 L HN 0.111 nan 8.230 nan 0.000 0.437 1164 E N -0.969 119.085 120.200 -0.243 0.000 2.150 1164 E HA -0.221 4.129 4.350 0.001 0.000 0.193 1164 E C 2.072 178.653 176.600 -0.032 0.000 0.985 1164 E CA 0.613 56.948 56.400 -0.108 0.000 0.814 1164 E CB -0.084 29.581 29.700 -0.060 0.000 0.752 1164 E HN 0.440 nan 8.360 nan 0.000 0.466 1165 H N 0.869 119.852 119.070 -0.145 0.000 2.321 1165 H HA -0.058 4.499 4.556 0.001 0.000 0.300 1165 H C 2.054 177.293 175.328 -0.148 0.000 1.087 1165 H CA 1.453 57.423 56.048 -0.129 0.000 1.319 1165 H CB 0.018 29.687 29.762 -0.155 0.000 1.379 1165 H HN 0.157 nan 8.280 nan 0.000 0.501 1166 M N -0.491 119.047 119.600 -0.102 0.000 2.159 1166 M HA -0.102 4.378 4.480 0.001 0.000 0.263 1166 M C 2.653 178.969 176.300 0.027 0.000 1.063 1166 M CA 1.406 56.556 55.300 -0.252 0.000 1.110 1166 M CB -0.202 31.810 32.600 -0.980 0.000 1.374 1166 M HN 0.252 nan 8.290 nan 0.000 0.411 1167 A N 0.082 123.006 122.820 0.173 0.000 2.067 1167 A HA 0.128 4.449 4.320 0.001 0.000 0.219 1167 A C 2.145 179.817 177.584 0.146 0.000 1.158 1167 A CA 1.597 53.800 52.037 0.277 0.000 0.661 1167 A CB -0.553 18.583 19.000 0.226 0.000 0.801 1167 A HN 0.499 nan 8.150 nan 0.000 0.452 1168 A N -1.494 121.378 122.820 0.085 0.000 2.308 1168 A HA 0.331 4.652 4.320 0.001 0.000 0.217 1168 A C 1.258 178.879 177.584 0.063 0.000 1.216 1168 A CA 0.785 52.852 52.037 0.051 0.000 0.864 1168 A CB -0.466 18.520 19.000 -0.024 0.000 0.902 1168 A HN 0.339 nan 8.150 nan 0.000 0.499 1169 T N 0.970 115.583 114.554 0.100 0.000 2.860 1169 T HA 0.240 4.590 4.350 0.001 0.000 0.299 1169 T C 0.754 175.506 174.700 0.087 0.000 1.045 1169 T CA 0.503 62.650 62.100 0.077 0.000 1.071 1169 T CB 0.201 69.118 68.868 0.082 0.000 0.985 1169 T HN 0.560 nan 8.240 nan 0.000 0.537 1170 N N 2.246 120.868 118.700 -0.130 0.000 2.291 1170 N HA 0.206 4.947 4.740 0.001 0.000 0.244 1170 N C -0.546 174.415 175.510 -0.916 0.000 1.216 1170 N CA -0.214 52.530 53.050 -0.511 0.000 0.879 1170 N CB -0.074 38.242 38.487 -0.285 0.000 1.167 1170 N HN 0.487 nan 8.380 nan 0.000 0.515 1171 I N 1.674 121.935 120.570 -0.514 0.000 2.316 1171 I HA 0.306 4.477 4.170 0.001 0.000 0.286 1171 I C -0.783 175.252 176.117 -0.135 0.000 1.107 1171 I CA -0.748 60.351 61.300 -0.336 0.000 1.219 1171 I CB -0.184 37.741 38.000 -0.125 0.000 1.455 1171 I HN -0.103 nan 8.210 nan 0.000 0.498 1172 F N 3.193 123.165 119.950 0.036 0.000 2.399 1172 F HA 0.377 4.905 4.527 0.001 0.000 0.334 1172 F C 0.828 176.670 175.800 0.069 0.000 1.097 1172 F CA -1.548 56.481 58.000 0.049 0.000 1.076 1172 F CB 0.519 39.542 39.000 0.039 0.000 1.162 1172 F HN 0.306 nan 8.300 nan 0.000 0.495 1173 E N 0.498 120.875 120.200 0.295 0.000 2.044 1173 E HA 0.143 4.494 4.350 0.001 0.000 0.282 1173 E C -0.248 176.505 176.600 0.255 0.000 1.031 1173 E CA -0.472 56.068 56.400 0.232 0.000 0.824 1173 E CB 0.993 30.835 29.700 0.237 0.000 1.076 1173 E HN 0.515 nan 8.360 nan 0.000 0.395 1174 S N 4.424 120.249 115.700 0.208 0.000 3.184 1174 S HA -0.148 4.323 4.470 0.001 0.000 0.376 1174 S C -0.080 174.658 174.600 0.231 0.000 1.163 1174 S CA -0.340 57.975 58.200 0.192 0.000 1.314 1174 S CB -0.444 62.829 63.200 0.120 0.000 0.962 1174 S HN 0.393 nan 8.310 nan 0.000 0.543 1175 F N 5.495 125.522 119.950 0.128 0.000 2.571 1175 F HA 0.418 4.946 4.527 0.001 0.000 0.384 1175 F C 0.314 176.178 175.800 0.107 0.000 1.058 1175 F CA -0.797 57.293 58.000 0.149 0.000 1.200 1175 F CB -0.005 39.093 39.000 0.163 0.000 1.077 1175 F HN 0.590 nan 8.300 nan 0.000 0.558 1176 A N 8.675 131.170 122.820 -0.541 0.000 2.273 1176 A HA 0.521 4.841 4.320 0.001 0.000 0.320 1176 A C -1.827 175.178 177.584 -0.965 0.000 1.358 1176 A CA -1.364 50.317 52.037 -0.593 0.000 0.910 1176 A CB 0.107 18.957 19.000 -0.251 0.000 1.159 1176 A HN 0.668 nan 8.150 nan 0.000 0.526 1177 P HA -0.004 nan 4.420 nan 0.000 0.201 1177 P C 0.887 177.972 177.300 -0.358 0.000 1.046 1177 P CA 2.543 65.246 63.100 -0.662 0.000 0.942 1177 P CB 0.360 31.851 31.700 -0.349 0.000 0.733 1178 A N -3.841 118.825 122.820 -0.256 0.000 6.075 1178 A HA 0.549 4.869 4.320 0.001 0.000 0.142 1178 A C 0.307 177.803 177.584 -0.147 0.000 0.950 1178 A CA 0.258 52.178 52.037 -0.195 0.000 1.278 1178 A CB -0.236 18.662 19.000 -0.170 0.000 2.412 1178 A HN 0.619 nan 8.150 nan 0.000 1.145 1179 G N -1.932 106.798 108.800 -0.115 0.000 2.598 1179 G HA2 0.429 4.389 3.960 0.001 0.000 0.244 1179 G HA3 0.429 4.389 3.960 0.001 0.000 0.244 1179 G C 1.178 176.034 174.900 -0.074 0.000 1.302 1179 G CA 1.475 46.526 45.100 -0.082 0.000 0.903 1179 G HN 2.976 nan 8.290 nan 0.000 0.575 1180 G N -1.152 107.615 108.800 -0.056 0.000 4.269 1180 G HA2 -0.159 3.802 3.960 0.001 0.000 0.290 1180 G HA3 -0.159 3.802 3.960 0.001 0.000 0.290 1180 G C 1.224 176.104 174.900 -0.033 0.000 1.570 1180 G CA 1.866 46.938 45.100 -0.047 0.000 1.072 1180 G HN 2.098 nan 8.290 nan 0.000 0.681 1181 K N -0.999 119.380 120.400 -0.036 0.000 8.623 1181 K HA -0.176 4.145 4.320 0.001 0.000 0.494 1181 K C 1.135 177.726 176.600 -0.015 0.000 0.366 1181 K CA 2.603 58.877 56.287 -0.022 0.000 1.954 1181 K CB -1.857 30.640 32.500 -0.006 0.000 0.699 1181 K HN 2.779 nan 8.250 nan 0.000 0.968 1182 A N 1.964 124.776 122.820 -0.013 0.000 1.701 1182 A HA -0.135 4.185 4.320 0.001 0.000 0.223 1182 A C -0.698 176.883 177.584 -0.005 0.000 1.303 1182 A CA 1.164 53.194 52.037 -0.010 0.000 0.689 1182 A CB -1.159 17.833 19.000 -0.012 0.000 1.177 1182 A HN 0.421 nan 8.150 nan 0.000 0.227 1183 D N 0.647 121.045 120.400 -0.003 0.000 2.518 1183 D HA 0.428 5.069 4.640 0.001 0.000 0.270 1183 D C 0.911 177.210 176.300 -0.002 0.000 1.338 1183 D CA 2.447 56.447 54.000 -0.001 0.000 0.983 1183 D CB 0.098 40.898 40.800 -0.001 0.000 1.126 1183 D HN 1.751 nan 8.370 nan 0.000 0.543 1184 G N 0.784 109.584 108.800 -0.001 0.000 2.326 1184 G HA2 0.405 4.366 3.960 0.001 0.000 0.413 1184 G HA3 0.405 4.366 3.960 0.001 0.000 0.413 1184 G C -0.922 173.978 174.900 -0.000 0.000 1.444 1184 G CA -0.459 44.640 45.100 -0.002 0.000 1.002 1184 G HN 0.827 nan 8.290 nan 0.000 0.649 1185 S N -1.931 113.769 115.700 -0.000 0.000 2.596 1185 S HA 0.902 5.373 4.470 0.001 0.000 0.270 1185 S C -1.320 173.281 174.600 0.000 0.000 1.155 1185 S CA -0.171 58.031 58.200 0.004 0.000 0.827 1185 S CB 2.038 65.243 63.200 0.007 0.000 1.130 1185 S HN 2.332 nan 8.310 nan 0.000 0.467 1186 V N 0.660 120.577 119.914 0.006 0.000 2.971 1186 V HA 0.621 4.742 4.120 0.001 0.000 0.309 1186 V C -1.559 174.533 176.094 -0.003 0.000 1.130 1186 V CA -0.655 61.642 62.300 -0.004 0.000 0.964 1186 V CB 2.043 33.867 31.823 0.001 0.000 1.029 1186 V HN 1.175 nan 8.190 nan 0.000 0.427 1187 D N 2.852 123.221 120.400 -0.051 0.000 2.304 1187 D HA 0.242 4.883 4.640 0.001 0.000 0.250 1187 D C 1.037 177.263 176.300 -0.123 0.000 1.107 1187 D CA -0.021 53.903 54.000 -0.126 0.000 0.885 1187 D CB 0.949 41.609 40.800 -0.233 0.000 1.192 1187 D HN 0.502 nan 8.370 nan 0.000 0.436 1188 F N 1.608 121.559 119.950 0.002 0.000 2.373 1188 F HA 0.136 4.664 4.527 0.001 0.000 0.300 1188 F C 1.650 177.455 175.800 0.009 0.000 1.080 1188 F CA 0.642 58.644 58.000 0.004 0.000 1.417 1188 F CB -0.553 38.448 39.000 0.003 0.000 1.070 1188 F HN 0.307 nan 8.300 nan 0.000 0.546 1189 G N -0.143 108.372 108.800 -0.474 0.000 2.986 1189 G HA2 0.038 3.999 3.960 0.001 0.000 0.213 1189 G HA3 0.038 3.999 3.960 0.001 0.000 0.213 1189 G C 0.209 175.039 174.900 -0.117 0.000 1.156 1189 G CA -0.394 44.559 45.100 -0.245 0.000 0.763 1189 G HN 0.394 nan 8.290 nan 0.000 0.547 1190 E N 0.548 120.678 120.200 -0.115 0.000 2.493 1190 E HA 0.332 4.683 4.350 0.001 0.000 0.255 1190 E C 1.285 177.871 176.600 -0.024 0.000 0.999 1190 E CA 0.509 56.870 56.400 -0.065 0.000 0.934 1190 E CB 0.408 30.074 29.700 -0.057 0.000 0.940 1190 E HN 0.263 nan 8.360 nan 0.000 0.473 1191 G N 2.561 111.349 108.800 -0.021 0.000 2.168 1191 G HA2 -0.350 3.611 3.960 0.001 0.000 0.263 1191 G HA3 -0.350 3.611 3.960 0.001 0.000 0.263 1191 G C 0.424 175.332 174.900 0.014 0.000 0.977 1191 G CA 0.068 45.164 45.100 -0.006 0.000 0.659 1191 G HN 0.789 nan 8.290 nan 0.000 0.533 1192 A N -0.374 122.462 122.820 0.027 0.000 2.462 1192 A HA 0.613 4.934 4.320 0.001 0.000 0.243 1192 A C 1.206 178.828 177.584 0.062 0.000 1.076 1192 A CA 1.161 53.240 52.037 0.070 0.000 0.773 1192 A CB 0.289 19.349 19.000 0.099 0.000 1.010 1192 A HN 0.379 nan 8.150 nan 0.000 0.493 1193 E N 0.642 120.910 120.200 0.113 0.000 2.150 1193 E HA 0.058 4.409 4.350 0.001 0.000 0.193 1193 E C -0.462 176.063 176.600 -0.125 0.000 0.985 1193 E CA 1.226 57.645 56.400 0.030 0.000 0.814 1193 E CB -0.096 29.693 29.700 0.149 0.000 0.752 1193 E HN 0.639 nan 8.360 nan 0.000 0.466 1194 F N -1.317 118.641 119.950 0.014 0.000 2.618 1194 F HA 0.345 4.872 4.527 0.001 0.000 0.332 1194 F C 0.120 175.932 175.800 0.020 0.000 1.061 1194 F CA -1.748 56.261 58.000 0.014 0.000 0.974 1194 F CB 0.668 39.678 39.000 0.016 0.000 1.310 1194 F HN -0.289 nan 8.300 nan 0.000 0.491 1195 c N 0.922 119.652 118.600 0.217 0.000 2.611 1195 c HA 0.190 4.760 4.570 0.001 0.000 0.416 1195 c C 1.675 175.855 174.090 0.151 0.000 1.366 1195 c CA 0.193 56.601 56.329 0.132 0.000 1.761 1195 c CB -0.009 42.564 42.510 0.105 0.000 2.619 1195 c HN 0.918 nan 8.230 nan 0.000 0.606 1196 T N 1.980 116.616 114.554 0.137 0.000 3.010 1196 T HA 0.186 4.536 4.350 0.001 0.000 0.257 1196 T C 0.638 175.478 174.700 0.234 0.000 1.020 1196 T CA 0.329 62.553 62.100 0.207 0.000 0.938 1196 T CB -0.065 68.965 68.868 0.270 0.000 1.049 1196 T HN 0.717 nan 8.240 nan 0.000 0.522 1197 R N 1.810 122.397 120.500 0.145 0.000 2.807 1197 R HA 0.503 4.844 4.340 0.001 0.000 0.276 1197 R C -1.056 175.290 176.300 0.078 0.000 0.979 1197 R CA -0.888 55.287 56.100 0.126 0.000 0.928 1197 R CB 1.428 31.785 30.300 0.095 0.000 1.191 1197 R HN 0.302 nan 8.270 nan 0.000 0.471 1198 D N -0.709 119.729 120.400 0.063 0.000 2.506 1198 D HA 0.068 4.709 4.640 0.001 0.000 0.272 1198 D C -0.088 176.231 176.300 0.032 0.000 1.214 1198 D CA -0.485 53.540 54.000 0.043 0.000 1.067 1198 D CB 0.518 41.338 40.800 0.034 0.000 1.117 1198 D HN 0.308 nan 8.370 nan 0.000 0.578 1199 D N -1.035 119.380 120.400 0.025 0.000 2.325 1199 D HA 0.071 4.711 4.640 0.001 0.000 0.234 1199 D C -0.009 176.300 176.300 0.014 0.000 1.122 1199 D CA 0.149 54.160 54.000 0.018 0.000 0.850 1199 D CB -0.269 40.541 40.800 0.016 0.000 0.921 1199 D HN 0.250 nan 8.370 nan 0.000 0.513 1200 T N 1.285 115.848 114.554 0.015 0.000 2.904 1200 T HA 0.162 4.512 4.350 0.001 0.000 0.290 1200 T C -1.465 173.240 174.700 0.008 0.000 1.018 1200 T CA -1.198 60.909 62.100 0.010 0.000 1.075 1200 T CB 1.901 70.775 68.868 0.010 0.000 0.986 1200 T HN -0.129 nan 8.240 nan 0.000 0.523 1201 P HA 0.094 nan 4.420 nan 0.000 0.225 1201 P C 1.390 178.688 177.300 -0.003 0.000 1.156 1201 P CA 0.827 63.926 63.100 -0.003 0.000 0.787 1201 P CB 0.066 31.760 31.700 -0.009 0.000 0.802 1202 M N -2.174 117.425 119.600 -0.001 0.000 2.229 1202 M HA -0.034 4.446 4.480 0.001 0.000 0.264 1202 M C 1.821 178.128 176.300 0.012 0.000 1.063 1202 M CA 1.652 56.952 55.300 -0.000 0.000 1.114 1202 M CB -0.469 32.129 32.600 -0.003 0.000 1.387 1202 M HN -0.053 nan 8.290 nan 0.000 0.420 1203 M N -0.301 119.311 119.600 0.021 0.000 2.428 1203 M HA 0.218 4.698 4.480 0.001 0.000 0.239 1203 M C 0.524 176.841 176.300 0.029 0.000 1.121 1203 M CA -0.338 54.985 55.300 0.039 0.000 1.019 1203 M CB 0.102 32.735 32.600 0.056 0.000 1.485 1203 M HN 0.093 nan 8.290 nan 0.000 0.484 1204 A N 2.010 124.839 122.820 0.014 0.000 2.511 1204 A HA 0.384 4.705 4.320 0.001 0.000 0.242 1204 A C 0.174 177.759 177.584 0.002 0.000 1.069 1204 A CA 0.298 52.338 52.037 0.006 0.000 0.763 1204 A CB 0.304 19.305 19.000 0.001 0.000 1.001 1204 A HN 0.324 nan 8.150 nan 0.000 0.498 1205 R N 1.695 122.192 120.500 -0.005 0.000 2.799 1205 R HA 0.372 4.713 4.340 0.001 0.000 0.270 1205 R C -2.319 173.971 176.300 -0.016 0.000 1.010 1205 R CA -1.893 54.201 56.100 -0.010 0.000 0.916 1205 R CB 0.412 30.703 30.300 -0.014 0.000 1.228 1205 R HN 0.361 nan 8.270 nan 0.000 0.469 1206 P HA -0.152 nan 4.420 nan 0.000 0.216 1206 P C 0.168 177.455 177.300 -0.022 0.000 1.154 1206 P CA 1.411 64.500 63.100 -0.017 0.000 0.865 1206 P CB 0.295 31.985 31.700 -0.017 0.000 0.789 1207 D N -1.288 119.095 120.400 -0.029 0.000 2.328 1207 D HA 0.024 4.665 4.640 0.001 0.000 0.226 1207 D C 0.694 176.970 176.300 -0.039 0.000 1.066 1207 D CA 0.382 54.361 54.000 -0.036 0.000 0.861 1207 D CB -0.077 40.696 40.800 -0.045 0.000 0.912 1207 D HN 0.285 nan 8.370 nan 0.000 0.521 1208 S N -1.250 114.430 115.700 -0.033 0.000 2.645 1208 S HA 0.548 5.018 4.470 0.001 0.000 0.266 1208 S C 1.255 175.842 174.600 -0.021 0.000 1.258 1208 S CA 0.185 58.366 58.200 -0.030 0.000 0.990 1208 S CB 2.246 65.432 63.200 -0.022 0.000 0.967 1208 S HN 0.218 nan 8.310 nan 0.000 0.556 1209 G N -0.364 108.425 108.800 -0.018 0.000 2.336 1209 G HA2 -0.172 3.788 3.960 0.001 0.000 0.194 1209 G HA3 -0.172 3.788 3.960 0.001 0.000 0.194 1209 G C -0.140 174.751 174.900 -0.015 0.000 0.999 1209 G CA -0.050 45.042 45.100 -0.013 0.000 0.669 1209 G HN 0.939 nan 8.290 nan 0.000 0.482 1210 E N 1.081 121.269 120.200 -0.020 0.000 2.404 1210 E HA 0.565 4.916 4.350 0.001 0.000 0.261 1210 E C 0.962 177.552 176.600 -0.018 0.000 1.074 1210 E CA 0.089 56.476 56.400 -0.021 0.000 0.917 1210 E CB 0.709 30.392 29.700 -0.028 0.000 0.965 1210 E HN 0.681 nan 8.360 nan 0.000 0.433 1211 A N 2.469 125.278 122.820 -0.019 0.000 2.407 1211 A HA 0.416 4.737 4.320 0.001 0.000 0.248 1211 A C -0.259 177.310 177.584 -0.025 0.000 1.082 1211 A CA -0.080 51.946 52.037 -0.019 0.000 0.785 1211 A CB -0.233 18.754 19.000 -0.021 0.000 1.020 1211 A HN 0.783 nan 8.150 nan 0.000 0.489 1212 c N -0.157 118.430 118.600 -0.022 0.000 3.306 1212 c HA 0.636 5.206 4.570 0.001 0.000 0.335 1212 c C -0.810 173.261 174.090 -0.030 0.000 1.382 1212 c CA -0.993 55.316 56.329 -0.033 0.000 1.254 1212 c CB 1.083 43.589 42.510 -0.006 0.000 1.555 1212 c HN 0.823 nan 8.230 nan 0.000 0.463 1213 D N 0.831 121.186 120.400 -0.074 0.000 2.336 1213 D HA 0.129 4.769 4.640 0.001 0.000 0.249 1213 D C 0.410 176.791 176.300 0.134 0.000 1.213 1213 D CA 0.683 54.651 54.000 -0.054 0.000 0.870 1213 D CB 1.141 41.727 40.800 -0.357 0.000 1.076 1213 D HN 0.742 nan 8.370 nan 0.000 0.483 1214 Q N 2.983 122.856 119.800 0.122 0.000 2.322 1214 Q HA 0.016 4.357 4.340 0.001 0.000 0.203 1214 Q C -0.300 175.791 176.000 0.152 0.000 0.923 1214 Q CA 0.015 55.897 55.803 0.130 0.000 0.949 1214 Q CB -0.276 28.505 28.738 0.072 0.000 1.039 1214 Q HN 0.561 nan 8.270 nan 0.000 0.496 1215 N N -0.563 118.287 118.700 0.251 0.000 2.776 1215 N HA -0.191 4.550 4.740 0.001 0.000 0.250 1215 N C -0.233 175.334 175.510 0.095 0.000 1.112 1215 N CA 0.720 53.875 53.050 0.176 0.000 0.733 1215 N CB -0.474 38.037 38.487 0.040 0.000 1.097 1215 N HN 0.267 nan 8.380 nan 0.000 0.558 1216 R N -0.536 120.020 120.500 0.093 0.000 2.393 1216 R HA 0.390 4.731 4.340 0.001 0.000 0.244 1216 R C 1.025 177.357 176.300 0.055 0.000 0.920 1216 R CA 0.760 56.894 56.100 0.056 0.000 1.076 1216 R CB 0.572 30.898 30.300 0.043 0.000 1.119 1216 R HN 0.274 nan 8.270 nan 0.000 0.524 1217 A N 0.379 123.246 122.820 0.079 0.000 2.545 1217 A HA 0.471 4.792 4.320 0.001 0.000 0.263 1217 A C 0.598 178.227 177.584 0.075 0.000 1.202 1217 A CA 0.222 52.299 52.037 0.067 0.000 0.959 1217 A CB 0.660 19.697 19.000 0.062 0.000 1.124 1217 A HN 0.318 nan 8.150 nan 0.000 0.543 1218 G N -0.947 107.902 108.800 0.082 0.000 2.655 1218 G HA2 0.029 3.989 3.960 0.001 0.000 0.680 1218 G HA3 0.029 3.989 3.960 0.001 0.000 0.680 1218 G C -0.140 174.823 174.900 0.106 0.000 1.302 1218 G CA -0.507 44.632 45.100 0.065 0.000 0.872 1218 G HN 0.626 nan 8.290 nan 0.000 0.540 1219 T N 0.565 115.154 114.554 0.058 0.000 2.795 1219 T HA 0.392 4.743 4.350 0.001 0.000 0.314 1219 T C 2.038 176.839 174.700 0.168 0.000 1.069 1219 T CA 0.558 62.700 62.100 0.071 0.000 1.071 1219 T CB 1.005 69.880 68.868 0.012 0.000 0.988 1219 T HN 0.896 nan 8.240 nan 0.000 0.543 1220 S N 1.265 117.111 115.700 0.244 0.000 2.359 1220 S HA -0.169 4.302 4.470 0.001 0.000 0.223 1220 S C 2.293 176.953 174.600 0.100 0.000 1.039 1220 S CA 1.527 59.850 58.200 0.205 0.000 1.042 1220 S CB -0.296 63.027 63.200 0.205 0.000 0.915 1220 S HN 0.855 nan 8.310 nan 0.000 0.439 1221 E N 1.734 121.979 120.200 0.074 0.000 2.051 1221 E HA -0.234 4.117 4.350 0.001 0.000 0.192 1221 E C 1.932 178.555 176.600 0.038 0.000 0.991 1221 E CA 1.116 57.542 56.400 0.045 0.000 0.799 1221 E CB -0.714 29.005 29.700 0.031 0.000 0.748 1221 E HN 0.612 nan 8.360 nan 0.000 0.449 1222 Q N 0.696 120.521 119.800 0.041 0.000 2.096 1222 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 1222 Q C 2.394 178.415 176.000 0.036 0.000 0.982 1222 Q CA 1.822 57.645 55.803 0.033 0.000 0.850 1222 Q CB -0.193 28.564 28.738 0.032 0.000 0.901 1222 Q HN 0.455 nan 8.270 nan 0.000 0.422 1223 Q N -0.409 119.421 119.800 0.050 0.000 2.079 1223 Q HA -0.107 4.233 4.340 0.001 0.000 0.200 1223 Q C 2.229 178.245 176.000 0.026 0.000 0.974 1223 Q CA 1.171 56.998 55.803 0.040 0.000 0.840 1223 Q CB -0.226 28.542 28.738 0.050 0.000 0.898 1223 Q HN 0.501 nan 8.270 nan 0.000 0.430 1224 G N 0.990 109.806 108.800 0.027 0.000 2.418 1224 G HA2 -0.329 3.632 3.960 0.001 0.000 0.217 1224 G HA3 -0.329 3.632 3.960 0.001 0.000 0.217 1224 G C 0.954 175.862 174.900 0.014 0.000 1.158 1224 G CA 1.246 46.357 45.100 0.017 0.000 0.771 1224 G HN 0.377 nan 8.290 nan 0.000 0.545 1225 D N -0.211 120.199 120.400 0.016 0.000 2.117 1225 D HA -0.112 4.528 4.640 0.001 0.000 0.197 1225 D C 2.316 178.622 176.300 0.010 0.000 0.987 1225 D CA 0.749 54.756 54.000 0.012 0.000 0.829 1225 D CB -0.234 40.573 40.800 0.012 0.000 0.961 1225 D HN 0.145 nan 8.370 nan 0.000 0.460 1226 L N 0.175 121.405 121.223 0.012 0.000 2.046 1226 L HA -0.111 4.229 4.340 0.001 0.000 0.208 1226 L C 2.319 179.193 176.870 0.008 0.000 1.077 1226 L CA 1.927 56.774 54.840 0.010 0.000 0.747 1226 L CB -1.242 40.825 42.059 0.013 0.000 0.896 1226 L HN 0.074 nan 8.230 nan 0.000 0.432 1227 S N -0.717 114.987 115.700 0.007 0.000 2.359 1227 S HA -0.303 4.168 4.470 0.001 0.000 0.224 1227 S C 2.231 176.833 174.600 0.003 0.000 1.035 1227 S CA 1.883 60.085 58.200 0.004 0.000 1.018 1227 S CB -0.395 62.807 63.200 0.003 0.000 0.876 1227 S HN 0.559 nan 8.310 nan 0.000 0.448 1228 K N 0.167 120.570 120.400 0.004 0.000 2.147 1228 K HA -0.025 4.296 4.320 0.001 0.000 0.205 1228 K C 2.299 178.901 176.600 0.003 0.000 1.049 1228 K CA 1.036 57.325 56.287 0.003 0.000 0.936 1228 K CB -0.093 32.410 32.500 0.004 0.000 0.722 1228 K HN 0.320 nan 8.250 nan 0.000 0.446 1229 R N -0.355 120.147 120.500 0.004 0.000 2.200 1229 R HA -0.028 4.313 4.340 0.001 0.000 0.208 1229 R C 2.192 178.493 176.300 0.003 0.000 1.033 1229 R CA 1.505 57.607 56.100 0.003 0.000 1.000 1229 R CB 0.101 30.404 30.300 0.004 0.000 0.906 1229 R HN 0.413 nan 8.270 nan 0.000 0.462 1230 T N -2.239 112.317 114.554 0.003 0.000 2.953 1230 T HA 0.125 4.475 4.350 0.001 0.000 0.247 1230 T C 0.448 175.148 174.700 0.001 0.000 1.029 1230 T CA -0.247 61.854 62.100 0.002 0.000 1.144 1230 T CB 0.297 69.166 68.868 0.002 0.000 0.870 1230 T HN 0.029 nan 8.240 nan 0.000 0.446 1231 K N 0.000 120.400 120.400 0.001 0.000 2.780 1231 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1231 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 1231 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 1231 K HN 0.000 nan 8.250 nan 0.000 0.543