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 2c3o_1_B DATA FIRST_RESID 2 DATA SEQUENCE GKKMMTTDGN TATAHVAYAM SEVAAIYPIT PSSTMGEEAD DWAAQGRKNI DATA SEQUENCE FGQTLTIREM QSEAGAAGAV HGALAAGALT TTFTASQGLL LMIPNMYKIS DATA SEQUENCE GELLPGVFHV TARAIAAHAL SIFGDHQDIY AARQTGFAML ASSSVQEAHD DATA SEQUENCE MALVAHLAAI ESNVPFMHFF DGFRTSHEIQ KIEVLDYADM ASLVNQKALA DATA SEQUENCE EFRAKSMNPE HPHVRGTAQN PDIYFQGREA ANPYYLKVPG IVAEYMQKVA DATA SEQUENCE SLTGRSYKLF DYVGAPDAER VIVSMGSSCE TIEEVINHLA AKGEKIGLIK DATA SEQUENCE VRLYRPFVSE AFFAALPASA KVITVLDRTK EPGAPGDPLY LDVCSAFVER DATA SEQUENCE GEAMPKILAG RYGLGSKEFS PAMVKSVYDN MSGAKKNHFT VGIEDDVTGT DATA SEQUENCE SLPVDNAFAD TTPKGTIQCQ FWGLGADGTV GANKQAIKII GDNTDLFAQG DATA SEQUENCE YFSYDSKKSG GITISHLRFG EKPIQSTYLV NRADYVACHN PAYVGIYDIL DATA SEQUENCE EGIKDGGTFV LNSPWSSLED MDKHLPSGIK RTIANKKLKF YNIDAVKIAT DATA SEQUENCE DVGLGGRINM IMQTAFFKLA GVLPFEKAVD LLKKSIHKAY GKKGEKIVKM DATA SEQUENCE NTDAVDQAVT SLQEFKYPDS WKDAPAETKA EPMTNEFFKN VVKPILTQQG DATA SEQUENCE DKLPVSAFEA DGRFPLGTSQ FEKRGVAINV PQWVPENCIQ CNQCAFVCPH DATA SEQUENCE SAILPVLAKE EELVGAPANF TALEAKGKEL KGYKFRIQIN TLDCMGCGNC DATA SEQUENCE ADICPPKEKA LVMQPLDTQR DAQVPNLEYA ARIPVKSEVL PRDSLKGSQF DATA SEQUENCE QEPLMEFSGA CSGCGETPYV RVITQLFGER MFIANATGCS SIWGASAPSM DATA SEQUENCE PYKTNRLGQG PAWGNSLFED AAEYGFGMNM SMFARRTHLA DLAAKALESD DATA SEQUENCE ASGDVKEALQ GWLAGKNDPI KSKEYGDKLK KLLAGQKDGL LGQIAAMSDL DATA SEQUENCE YTKKSVWIFG GDGWAYDIGY GGLDHVLASG EDVNVFVMDT EVYSNTGGQS DATA SEQUENCE SKATPTGAVA KFAAAGKRTG KKDLARMVMT YGYVYVATVS MGYSKQQFLK DATA SEQUENCE VLKEAESFPG PSLVIAYATC INQGLRKGMG KSQDVMNTAV KSGYWPLFRY DATA SEQUENCE DPRLAAQGKN PFQLDSKAPD GSVEEFLMAQ NRFAVLDRSF PEDAKRLRAQ DATA SEQUENCE VAHELDVRFK ELEHMAATNI FESFAPAGGK ADGSVDFGEG AEFcTRDDTP DATA SEQUENCE MMARPDSGEA cDQNRAGTSE QQGDLSKRTK K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 2 G C 0.000 174.913 174.900 0.023 0.000 0.946 2 G CA 0.000 45.114 45.100 0.024 0.000 0.502 3 K N 1.115 121.521 120.400 0.010 0.000 2.414 3 K HA 0.377 4.699 4.320 0.002 0.000 0.272 3 K C 0.067 176.657 176.600 -0.015 0.000 0.993 3 K CA 0.081 56.365 56.287 -0.005 0.000 0.964 3 K CB 1.020 33.515 32.500 -0.009 0.000 0.925 3 K HN 0.495 nan 8.250 nan 0.000 0.487 4 K N 3.588 123.968 120.400 -0.033 0.000 2.656 4 K HA 0.160 4.482 4.320 0.002 0.000 0.253 4 K C -0.999 175.567 176.600 -0.057 0.000 1.002 4 K CA -0.567 55.698 56.287 -0.037 0.000 0.880 4 K CB 0.880 33.367 32.500 -0.022 0.000 1.232 4 K HN 0.391 nan 8.250 nan 0.000 0.456 5 M N 5.346 124.914 119.600 -0.052 0.000 2.233 5 M HA 0.393 4.874 4.480 0.002 0.000 0.350 5 M C -0.006 176.267 176.300 -0.045 0.000 1.176 5 M CA 0.203 55.468 55.300 -0.058 0.000 1.150 5 M CB 0.559 33.119 32.600 -0.067 0.000 1.530 5 M HN 0.847 nan 8.290 nan 0.000 0.459 6 M N 0.514 120.091 119.600 -0.039 0.000 2.724 6 M HA 0.408 4.889 4.480 0.002 0.000 0.280 6 M C -1.107 175.196 176.300 0.005 0.000 1.090 6 M CA -0.877 54.414 55.300 -0.015 0.000 0.838 6 M CB 1.602 34.191 32.600 -0.018 0.000 1.729 6 M HN 0.564 nan 8.290 nan 0.000 0.530 7 T N 0.321 114.893 114.554 0.031 0.000 2.882 7 T HA 0.930 5.282 4.350 0.002 0.000 0.287 7 T C -0.109 174.627 174.700 0.059 0.000 0.992 7 T CA 0.109 62.242 62.100 0.055 0.000 1.076 7 T CB 1.356 70.273 68.868 0.083 0.000 0.961 7 T HN 1.032 nan 8.240 nan 0.000 0.490 8 T N -0.469 114.124 114.554 0.066 0.000 2.686 8 T HA 0.475 4.827 4.350 0.002 0.000 0.308 8 T C -1.755 172.989 174.700 0.073 0.000 1.667 8 T CA -1.122 61.019 62.100 0.069 0.000 0.987 8 T CB 0.907 69.815 68.868 0.066 0.000 1.652 8 T HN 0.774 nan 8.240 nan 0.000 0.496 9 D N -0.445 119.993 120.400 0.063 0.000 2.387 9 D HA 0.499 5.140 4.640 0.002 0.000 0.255 9 D C 1.612 177.936 176.300 0.040 0.000 1.081 9 D CA -0.267 53.770 54.000 0.063 0.000 0.994 9 D CB 0.324 41.132 40.800 0.013 0.000 1.127 9 D HN 0.796 nan 8.370 nan 0.000 0.513 10 G N -0.012 108.816 108.800 0.047 0.000 2.442 10 G HA2 -0.324 3.637 3.960 0.002 0.000 0.219 10 G HA3 -0.324 3.637 3.960 0.002 0.000 0.219 10 G C 1.212 176.045 174.900 -0.112 0.000 1.141 10 G CA 0.694 45.741 45.100 -0.089 0.000 0.763 10 G HN 0.645 nan 8.290 nan 0.000 0.554 11 N N 0.024 118.773 118.700 0.082 0.000 2.006 11 N HA -0.165 4.576 4.740 0.002 0.000 0.196 11 N C 2.626 178.186 175.510 0.083 0.000 1.057 11 N CA 2.091 55.226 53.050 0.142 0.000 0.853 11 N CB -0.333 38.171 38.487 0.029 0.000 1.051 11 N HN 0.426 nan 8.380 nan 0.000 0.423 12 T N -0.712 113.877 114.554 0.059 0.000 2.759 12 T HA -0.079 4.272 4.350 0.002 0.000 0.269 12 T C 1.956 176.787 174.700 0.219 0.000 1.042 12 T CA 1.189 63.381 62.100 0.153 0.000 1.140 12 T CB -0.467 68.509 68.868 0.180 0.000 0.864 12 T HN 0.235 nan 8.240 nan 0.000 0.455 13 A N 1.990 124.883 122.820 0.122 0.000 1.917 13 A HA -0.104 4.217 4.320 0.002 0.000 0.219 13 A C 2.809 180.465 177.584 0.119 0.000 1.182 13 A CA 2.839 54.942 52.037 0.110 0.000 0.633 13 A CB -1.564 17.459 19.000 0.040 0.000 0.819 13 A HN 0.819 nan 8.150 nan 0.000 0.448 14 T N -3.022 111.572 114.554 0.066 0.000 2.937 14 T HA 0.254 4.606 4.350 0.002 0.000 0.260 14 T C 1.986 176.742 174.700 0.092 0.000 1.051 14 T CA 1.426 63.555 62.100 0.049 0.000 1.141 14 T CB -0.551 68.407 68.868 0.151 0.000 0.879 14 T HN 0.596 nan 8.240 nan 0.000 0.459 15 A N 2.151 125.086 122.820 0.191 0.000 1.917 15 A HA -0.232 4.090 4.320 0.002 0.000 0.219 15 A C 2.368 180.226 177.584 0.457 0.000 1.182 15 A CA 1.999 54.200 52.037 0.272 0.000 0.633 15 A CB -1.477 17.594 19.000 0.118 0.000 0.819 15 A HN 0.788 nan 8.150 nan 0.000 0.448 16 H N 0.172 119.458 119.070 0.360 0.000 2.321 16 H HA -0.146 4.411 4.556 0.002 0.000 0.295 16 H C 1.967 177.383 175.328 0.147 0.000 1.102 16 H CA 2.430 58.663 56.048 0.309 0.000 1.266 16 H CB -0.270 29.628 29.762 0.227 0.000 1.363 16 H HN 0.250 nan 8.280 nan 0.000 0.492 17 V N 1.283 121.303 119.914 0.176 0.000 2.302 17 V HA -0.155 3.966 4.120 0.002 0.000 0.243 17 V C 3.178 179.167 176.094 -0.176 0.000 1.036 17 V CA 1.400 63.641 62.300 -0.098 0.000 1.020 17 V CB -1.386 30.325 31.823 -0.188 0.000 0.657 17 V HN 0.591 nan 8.190 nan 0.000 0.453 18 A N -0.371 122.430 122.820 -0.030 0.000 1.881 18 A HA -0.361 3.961 4.320 0.002 0.000 0.219 18 A C 2.164 179.773 177.584 0.043 0.000 1.215 18 A CA 2.702 54.772 52.037 0.055 0.000 0.648 18 A CB -1.087 18.044 19.000 0.219 0.000 0.832 18 A HN 0.622 nan 8.150 nan 0.000 0.455 19 Y N 0.236 120.598 120.300 0.105 0.000 2.030 19 Y HA -0.206 4.345 4.550 0.002 0.000 0.274 19 Y C 2.847 178.699 175.900 -0.081 0.000 1.153 19 Y CA 2.135 60.318 58.100 0.138 0.000 1.115 19 Y CB -0.787 37.879 38.460 0.344 0.000 0.969 19 Y HN 0.360 nan 8.280 nan 0.000 0.488 20 A N 0.129 122.806 122.820 -0.238 0.000 1.903 20 A HA -0.281 4.040 4.320 0.002 0.000 0.219 20 A C 2.082 179.425 177.584 -0.401 0.000 1.191 20 A CA 2.523 54.163 52.037 -0.663 0.000 0.638 20 A CB -0.749 17.256 19.000 -1.657 0.000 0.823 20 A HN 0.557 nan 8.150 nan 0.000 0.451 21 M N 0.069 119.407 119.600 -0.436 0.000 2.595 21 M HA 0.131 4.612 4.480 0.002 0.000 0.248 21 M C 0.173 176.352 176.300 -0.202 0.000 1.119 21 M CA 0.419 55.484 55.300 -0.391 0.000 1.079 21 M CB -0.968 31.201 32.600 -0.718 0.000 1.472 21 M HN 0.231 nan 8.290 nan 0.000 0.501 22 S N -0.274 115.331 115.700 -0.159 0.000 2.621 22 S HA 0.384 4.855 4.470 0.002 0.000 0.302 22 S C 0.773 175.347 174.600 -0.045 0.000 1.093 22 S CA -0.697 57.482 58.200 -0.035 0.000 1.017 22 S CB 2.581 65.787 63.200 0.009 0.000 1.077 22 S HN 0.220 nan 8.310 nan 0.000 0.517 23 E N -0.042 120.139 120.200 -0.031 0.000 2.332 23 E HA 0.229 4.580 4.350 0.002 0.000 0.202 23 E C -0.412 176.156 176.600 -0.053 0.000 0.877 23 E CA 0.282 56.635 56.400 -0.079 0.000 0.979 23 E CB 0.665 30.272 29.700 -0.155 0.000 0.969 23 E HN 0.305 nan 8.360 nan 0.000 0.495 24 V N 0.409 120.317 119.914 -0.011 0.000 3.001 24 V HA 0.801 4.922 4.120 0.002 0.000 0.314 24 V C -1.059 175.055 176.094 0.033 0.000 1.099 24 V CA -0.894 61.413 62.300 0.011 0.000 0.989 24 V CB 1.878 33.716 31.823 0.025 0.000 1.040 24 V HN 0.150 nan 8.190 nan 0.000 0.434 25 A N 1.954 124.796 122.820 0.037 0.000 2.518 25 A HA 0.827 5.148 4.320 0.002 0.000 0.295 25 A C -0.727 176.874 177.584 0.029 0.000 1.052 25 A CA 0.077 52.141 52.037 0.044 0.000 0.824 25 A CB 1.137 20.192 19.000 0.092 0.000 1.325 25 A HN 1.607 nan 8.150 nan 0.000 0.394 26 A N 3.081 125.912 122.820 0.018 0.000 2.276 26 A HA 0.778 5.099 4.320 0.002 0.000 0.316 26 A C -0.284 177.302 177.584 0.005 0.000 1.229 26 A CA -0.421 51.619 52.037 0.006 0.000 0.851 26 A CB 0.448 19.461 19.000 0.022 0.000 1.165 26 A HN 1.409 nan 8.150 nan 0.000 0.513 27 I N 1.927 122.486 120.570 -0.018 0.000 2.769 27 I HA 0.601 4.772 4.170 0.002 0.000 0.298 27 I C -2.146 174.006 176.117 0.058 0.000 1.128 27 I CA -0.695 60.619 61.300 0.024 0.000 1.031 27 I CB 2.188 40.209 38.000 0.035 0.000 1.235 27 I HN 0.740 nan 8.210 nan 0.000 0.423 28 Y N 7.771 128.093 120.300 0.036 0.000 2.477 28 Y HA 0.618 5.170 4.550 0.003 0.000 0.347 28 Y C -2.467 173.561 175.900 0.213 0.000 0.981 28 Y CA -2.023 56.156 58.100 0.132 0.000 1.033 28 Y CB 2.216 40.761 38.460 0.142 0.000 1.245 28 Y HN 0.325 nan 8.280 nan 0.000 0.455 29 P HA 0.370 nan 4.420 nan 0.000 0.275 29 P C -1.035 176.280 177.300 0.025 0.000 1.227 29 P CA 0.116 63.222 63.100 0.010 0.000 0.781 29 P CB 1.921 33.609 31.700 -0.021 0.000 0.906 30 I N 0.879 121.470 120.570 0.036 0.000 2.744 30 I HA 0.101 4.273 4.170 0.002 0.000 0.285 30 I C -0.788 175.305 176.117 -0.040 0.000 1.530 30 I CA -0.308 60.999 61.300 0.011 0.000 1.064 30 I CB 1.942 39.987 38.000 0.075 0.000 1.429 30 I HN 0.169 nan 8.210 nan 0.000 0.425 31 T N 8.830 123.333 114.554 -0.086 0.000 2.930 31 T HA 0.223 4.574 4.350 0.002 0.000 0.306 31 T C -2.079 172.514 174.700 -0.179 0.000 1.045 31 T CA -0.494 61.523 62.100 -0.139 0.000 1.134 31 T CB 0.637 69.430 68.868 -0.124 0.000 0.961 31 T HN 0.495 nan 8.240 nan 0.000 0.545 32 P HA 0.168 nan 4.420 nan 0.000 0.266 32 P C 0.753 177.966 177.300 -0.145 0.000 1.561 32 P CA -0.173 62.673 63.100 -0.423 0.000 1.089 32 P CB 0.119 31.109 31.700 -1.183 0.000 1.534 33 S N -2.041 113.605 115.700 -0.089 0.000 2.558 33 S HA 0.041 4.512 4.470 0.002 0.000 0.217 33 S C 1.729 176.327 174.600 -0.003 0.000 0.975 33 S CA 0.247 58.445 58.200 -0.003 0.000 0.912 33 S CB -0.814 62.415 63.200 0.047 0.000 0.776 33 S HN -0.033 nan 8.310 nan 0.000 0.526 34 S N 2.275 117.956 115.700 -0.031 0.000 2.402 34 S HA -0.116 4.355 4.470 0.002 0.000 0.233 34 S C 1.870 176.400 174.600 -0.117 0.000 1.030 34 S CA 1.846 60.018 58.200 -0.046 0.000 1.003 34 S CB -0.874 62.281 63.200 -0.075 0.000 0.813 34 S HN 0.760 nan 8.310 nan 0.000 0.477 35 T N 2.491 116.965 114.554 -0.132 0.000 2.746 35 T HA -0.048 4.304 4.350 0.002 0.000 0.267 35 T C 1.789 176.317 174.700 -0.286 0.000 1.039 35 T CA 1.256 63.239 62.100 -0.196 0.000 1.142 35 T CB -0.313 68.441 68.868 -0.190 0.000 0.866 35 T HN 0.382 nan 8.240 nan 0.000 0.444 36 M N 0.902 120.314 119.600 -0.313 0.000 2.067 36 M HA -0.003 4.479 4.480 0.002 0.000 0.260 36 M C 2.875 178.620 176.300 -0.925 0.000 1.069 36 M CA 1.819 56.771 55.300 -0.580 0.000 1.117 36 M CB -0.887 31.372 32.600 -0.568 0.000 1.334 36 M HN 0.392 nan 8.290 nan 0.000 0.407 37 G N 0.083 108.381 108.800 -0.836 0.000 2.432 37 G HA2 -0.198 3.763 3.960 0.002 0.000 0.219 37 G HA3 -0.198 3.763 3.960 0.002 0.000 0.219 37 G C 1.345 176.192 174.900 -0.089 0.000 1.135 37 G CA 0.803 45.621 45.100 -0.471 0.000 0.767 37 G HN 0.518 nan 8.290 nan 0.000 0.550 38 E N 0.217 120.346 120.200 -0.119 0.000 2.107 38 E HA -0.067 4.284 4.350 0.002 0.000 0.191 38 E C 2.401 178.805 176.600 -0.325 0.000 0.982 38 E CA 0.847 57.163 56.400 -0.140 0.000 0.809 38 E CB -0.033 29.499 29.700 -0.279 0.000 0.756 38 E HN 0.559 nan 8.360 nan 0.000 0.459 39 E N 0.732 120.593 120.200 -0.564 0.000 2.072 39 E HA -0.135 4.217 4.350 0.002 0.000 0.191 39 E C 2.066 177.976 176.600 -1.150 0.000 0.985 39 E CA 0.871 56.613 56.400 -1.097 0.000 0.801 39 E CB -0.068 28.808 29.700 -1.373 0.000 0.750 39 E HN 0.199 nan 8.360 nan 0.000 0.452 40 A N 1.359 123.835 122.820 -0.573 0.000 1.933 40 A HA -0.254 4.068 4.320 0.002 0.000 0.218 40 A C 1.874 179.538 177.584 0.133 0.000 1.175 40 A CA 1.945 53.991 52.037 0.015 0.000 0.628 40 A CB -0.471 18.656 19.000 0.212 0.000 0.814 40 A HN 0.244 nan 8.150 nan 0.000 0.444 41 D N -0.280 120.131 120.400 0.019 0.000 2.084 41 D HA -0.143 4.498 4.640 0.002 0.000 0.196 41 D C 1.399 177.738 176.300 0.064 0.000 0.985 41 D CA 1.516 55.576 54.000 0.101 0.000 0.826 41 D CB -0.134 40.790 40.800 0.207 0.000 0.978 41 D HN 0.363 nan 8.370 nan 0.000 0.456 42 D N -0.205 120.153 120.400 -0.070 0.000 2.087 42 D HA -0.168 4.473 4.640 0.002 0.000 0.192 42 D C 2.042 178.393 176.300 0.084 0.000 0.993 42 D CA 0.798 54.768 54.000 -0.050 0.000 0.828 42 D CB -0.586 40.113 40.800 -0.169 0.000 0.968 42 D HN 0.436 nan 8.370 nan 0.000 0.448 43 W N 1.567 122.827 121.300 -0.067 0.000 2.331 43 W HA -0.098 4.564 4.660 0.002 0.000 0.291 43 W C 2.558 179.041 176.519 -0.060 0.000 1.214 43 W CA 0.668 57.908 57.345 -0.175 0.000 1.228 43 W CB -1.332 27.834 29.460 -0.490 0.000 1.135 43 W HN -0.008 nan 8.180 nan 0.000 0.537 44 A N 0.557 123.569 122.820 0.319 0.000 1.858 44 A HA -0.009 4.313 4.320 0.002 0.000 0.216 44 A C 2.303 180.022 177.584 0.225 0.000 1.190 44 A CA 2.863 55.116 52.037 0.360 0.000 0.617 44 A CB -1.221 17.982 19.000 0.339 0.000 0.827 44 A HN 0.127 nan 8.150 nan 0.000 0.443 45 A N -0.591 122.334 122.820 0.174 0.000 1.883 45 A HA -0.261 4.061 4.320 0.002 0.000 0.217 45 A C 2.106 179.782 177.584 0.153 0.000 1.186 45 A CA 1.799 53.923 52.037 0.145 0.000 0.624 45 A CB -0.750 18.319 19.000 0.115 0.000 0.822 45 A HN 0.665 nan 8.150 nan 0.000 0.444 46 Q N -1.917 117.975 119.800 0.153 0.000 2.152 46 Q HA -0.011 4.331 4.340 0.002 0.000 0.206 46 Q C 1.301 177.363 176.000 0.103 0.000 0.985 46 Q CA 1.125 57.004 55.803 0.127 0.000 0.863 46 Q CB -0.266 28.550 28.738 0.129 0.000 0.904 46 Q HN 1.067 nan 8.270 nan 0.000 0.422 47 G N 0.899 109.775 108.800 0.127 0.000 2.141 47 G HA2 -0.236 3.726 3.960 0.002 0.000 0.164 47 G HA3 -0.236 3.726 3.960 0.002 0.000 0.164 47 G C -0.170 174.796 174.900 0.111 0.000 1.009 47 G CA -0.113 45.057 45.100 0.117 0.000 0.677 47 G HN 0.223 nan 8.290 nan 0.000 0.508 48 R N 0.648 121.214 120.500 0.110 0.000 2.537 48 R HA 0.373 4.715 4.340 0.002 0.000 0.280 48 R C -0.054 176.417 176.300 0.285 0.000 1.058 48 R CA 0.001 56.136 56.100 0.060 0.000 1.057 48 R CB 0.349 30.527 30.300 -0.205 0.000 0.973 48 R HN -0.032 nan 8.270 nan 0.000 0.438 49 K N 3.178 123.707 120.400 0.215 0.000 2.130 49 K HA 0.142 4.464 4.320 0.002 0.000 0.268 49 K C -0.140 176.695 176.600 0.391 0.000 0.983 49 K CA -0.718 55.728 56.287 0.264 0.000 0.893 49 K CB 1.322 33.911 32.500 0.149 0.000 1.066 49 K HN 0.713 nan 8.250 nan 0.000 0.450 50 N N 0.929 119.823 118.700 0.322 0.000 2.431 50 N HA 0.124 4.866 4.740 0.002 0.000 0.289 50 N C 1.403 177.006 175.510 0.156 0.000 1.277 50 N CA -0.536 52.661 53.050 0.245 0.000 0.972 50 N CB -0.005 38.527 38.487 0.076 0.000 1.143 50 N HN 0.601 nan 8.380 nan 0.000 0.578 51 I N -4.010 116.537 120.570 -0.038 0.000 2.315 51 I HA -0.169 4.002 4.170 0.002 0.000 0.251 51 I C 0.655 176.629 176.117 -0.239 0.000 1.125 51 I CA 1.571 62.748 61.300 -0.205 0.000 1.392 51 I CB -0.606 37.115 38.000 -0.464 0.000 1.065 51 I HN 0.230 nan 8.210 nan 0.000 0.424 52 F N 2.414 122.368 119.950 0.007 0.000 2.804 52 F HA 0.372 4.900 4.527 0.002 0.000 0.303 52 F C 1.903 177.722 175.800 0.032 0.000 1.154 52 F CA 0.473 58.482 58.000 0.016 0.000 1.401 52 F CB -0.461 38.544 39.000 0.008 0.000 1.106 52 F HN 0.315 nan 8.300 nan 0.000 0.568 53 G N 0.382 109.288 108.800 0.177 0.000 2.221 53 G HA2 -0.231 3.731 3.960 0.002 0.000 0.265 53 G HA3 -0.231 3.731 3.960 0.002 0.000 0.265 53 G C -0.025 174.964 174.900 0.147 0.000 1.041 53 G CA -0.171 45.013 45.100 0.140 0.000 0.807 53 G HN 0.284 nan 8.290 nan 0.000 0.502 54 Q N -0.037 119.867 119.800 0.174 0.000 2.387 54 Q HA 0.618 4.960 4.340 0.002 0.000 0.273 54 Q C 0.540 176.627 176.000 0.145 0.000 1.089 54 Q CA 0.044 55.927 55.803 0.134 0.000 0.824 54 Q CB 1.694 30.491 28.738 0.098 0.000 1.367 54 Q HN 0.588 nan 8.270 nan 0.000 0.443 55 T N -1.435 113.203 114.554 0.140 0.000 2.913 55 T HA 0.383 4.734 4.350 0.002 0.000 0.297 55 T C 0.325 175.081 174.700 0.093 0.000 1.029 55 T CA -0.775 61.444 62.100 0.197 0.000 1.104 55 T CB 0.514 69.497 68.868 0.191 0.000 0.964 55 T HN 0.389 nan 8.240 nan 0.000 0.532 56 L N 2.856 124.099 121.223 0.032 0.000 2.453 56 L HA 0.309 4.651 4.340 0.002 0.000 0.272 56 L C 0.370 177.254 176.870 0.025 0.000 1.182 56 L CA 0.552 55.317 54.840 -0.126 0.000 0.858 56 L CB 0.478 42.295 42.059 -0.403 0.000 1.120 56 L HN 0.875 nan 8.230 nan 0.000 0.474 57 T N 7.215 121.769 114.554 0.000 0.000 2.811 57 T HA 0.490 4.841 4.350 0.002 0.000 0.309 57 T C 0.080 174.794 174.700 0.024 0.000 1.005 57 T CA -0.021 62.092 62.100 0.022 0.000 0.955 57 T CB -0.485 68.387 68.868 0.007 0.000 0.970 57 T HN 0.393 nan 8.240 nan 0.000 0.496 58 I N 3.377 123.969 120.570 0.036 0.000 2.493 58 I HA 0.644 4.815 4.170 0.002 0.000 0.298 58 I C 0.101 176.198 176.117 -0.032 0.000 0.998 58 I CA -1.197 60.111 61.300 0.013 0.000 1.137 58 I CB 1.472 39.490 38.000 0.029 0.000 1.310 58 I HN 0.184 nan 8.210 nan 0.000 0.445 59 R N 3.368 123.828 120.500 -0.066 0.000 2.698 59 R HA 0.411 4.753 4.340 0.002 0.000 0.275 59 R C -1.147 175.066 176.300 -0.144 0.000 1.001 59 R CA -0.864 55.187 56.100 -0.083 0.000 0.896 59 R CB 2.333 32.615 30.300 -0.031 0.000 1.218 59 R HN 0.687 nan 8.270 nan 0.000 0.462 60 E N 3.172 123.277 120.200 -0.159 0.000 2.166 60 E HA 0.362 4.713 4.350 0.002 0.000 0.275 60 E C -0.342 176.271 176.600 0.021 0.000 0.941 60 E CA -0.561 55.746 56.400 -0.155 0.000 0.784 60 E CB 0.973 30.516 29.700 -0.262 0.000 1.115 60 E HN 0.216 nan 8.360 nan 0.000 0.399 61 M N 2.291 121.963 119.600 0.119 0.000 2.474 61 M HA 0.077 4.558 4.480 0.002 0.000 0.238 61 M C 1.081 177.526 176.300 0.242 0.000 1.111 61 M CA -0.307 55.073 55.300 0.133 0.000 1.025 61 M CB 0.219 32.864 32.600 0.076 0.000 1.348 61 M HN 0.643 nan 8.290 nan 0.000 0.579 62 Q N 0.684 120.555 119.800 0.119 0.000 2.424 62 Q HA 0.105 4.446 4.340 0.002 0.000 0.204 62 Q C -0.210 175.659 176.000 -0.219 0.000 0.933 62 Q CA 0.520 56.392 55.803 0.115 0.000 0.929 62 Q CB 0.244 29.020 28.738 0.062 0.000 1.037 62 Q HN 0.745 nan 8.270 nan 0.000 0.511 63 S N -1.455 113.959 115.700 -0.477 0.000 2.656 63 S HA 0.282 4.753 4.470 0.002 0.000 0.265 63 S C -0.297 174.026 174.600 -0.460 0.000 1.132 63 S CA -0.450 57.192 58.200 -0.930 0.000 0.819 63 S CB 0.569 63.496 63.200 -0.454 0.000 1.119 63 S HN -0.060 nan 8.310 nan 0.000 0.476 64 E N 0.829 120.842 120.200 -0.311 0.000 2.208 64 E HA 0.198 4.550 4.350 0.002 0.000 0.193 64 E C 2.062 178.617 176.600 -0.074 0.000 0.988 64 E CA 1.368 57.716 56.400 -0.087 0.000 0.828 64 E CB -0.433 29.250 29.700 -0.028 0.000 0.763 64 E HN 0.714 nan 8.360 nan 0.000 0.478 65 A N 0.437 123.205 122.820 -0.087 0.000 2.015 65 A HA 0.002 4.324 4.320 0.002 0.000 0.219 65 A C 2.294 179.862 177.584 -0.027 0.000 1.163 65 A CA 1.489 53.500 52.037 -0.043 0.000 0.646 65 A CB -0.764 18.207 19.000 -0.048 0.000 0.806 65 A HN 0.345 nan 8.150 nan 0.000 0.448 66 G N -0.848 107.919 108.800 -0.055 0.000 2.426 66 G HA2 0.172 4.134 3.960 0.002 0.000 0.214 66 G HA3 0.172 4.134 3.960 0.002 0.000 0.214 66 G C 1.654 176.558 174.900 0.007 0.000 1.156 66 G CA 1.015 46.102 45.100 -0.022 0.000 0.802 66 G HN 0.669 nan 8.290 nan 0.000 0.534 67 A N 1.296 124.116 122.820 -0.000 0.000 1.898 67 A HA 0.337 4.659 4.320 0.002 0.000 0.216 67 A C 2.777 180.376 177.584 0.026 0.000 1.181 67 A CA 2.053 54.100 52.037 0.016 0.000 0.620 67 A CB -0.723 18.285 19.000 0.013 0.000 0.819 67 A HN 0.661 nan 8.150 nan 0.000 0.442 68 A N -0.365 122.469 122.820 0.023 0.000 1.902 68 A HA 0.115 4.437 4.320 0.002 0.000 0.217 68 A C 2.413 180.088 177.584 0.152 0.000 1.181 68 A CA 1.934 54.027 52.037 0.094 0.000 0.623 68 A CB -1.405 17.647 19.000 0.087 0.000 0.818 68 A HN 0.722 nan 8.150 nan 0.000 0.443 69 G N -0.540 108.327 108.800 0.112 0.000 2.418 69 G HA2 -0.011 3.951 3.960 0.002 0.000 0.217 69 G HA3 -0.011 3.951 3.960 0.002 0.000 0.217 69 G C 1.731 176.701 174.900 0.118 0.000 1.158 69 G CA 1.508 46.686 45.100 0.129 0.000 0.771 69 G HN 0.799 nan 8.290 nan 0.000 0.545 70 A N 0.084 122.954 122.820 0.083 0.000 1.898 70 A HA 0.126 4.448 4.320 0.002 0.000 0.216 70 A C 2.575 180.220 177.584 0.102 0.000 1.181 70 A CA 1.673 53.750 52.037 0.067 0.000 0.620 70 A CB -0.604 18.422 19.000 0.044 0.000 0.819 70 A HN 0.251 nan 8.150 nan 0.000 0.442 71 V N -0.215 119.779 119.914 0.134 0.000 2.469 71 V HA -0.309 3.813 4.120 0.002 0.000 0.251 71 V C 2.396 178.641 176.094 0.252 0.000 1.064 71 V CA 2.295 64.704 62.300 0.182 0.000 1.066 71 V CB -1.075 30.882 31.823 0.224 0.000 0.667 71 V HN 0.840 nan 8.190 nan 0.000 0.461 72 H N 0.065 119.215 119.070 0.134 0.000 2.326 72 H HA -0.102 4.456 4.556 0.002 0.000 0.301 72 H C 2.313 177.697 175.328 0.092 0.000 1.081 72 H CA 1.216 57.338 56.048 0.125 0.000 1.334 72 H CB -0.115 29.715 29.762 0.114 0.000 1.385 72 H HN 0.442 nan 8.280 nan 0.000 0.504 73 G N 0.183 109.010 108.800 0.046 0.000 2.418 73 G HA2 -0.273 3.688 3.960 0.002 0.000 0.217 73 G HA3 -0.273 3.688 3.960 0.002 0.000 0.217 73 G C 1.849 176.755 174.900 0.009 0.000 1.158 73 G CA 0.733 45.795 45.100 -0.064 0.000 0.771 73 G HN 0.555 nan 8.290 nan 0.000 0.545 74 A N 0.425 123.283 122.820 0.064 0.000 1.933 74 A HA 0.124 4.446 4.320 0.002 0.000 0.218 74 A C 2.430 180.086 177.584 0.120 0.000 1.175 74 A CA 1.207 53.286 52.037 0.071 0.000 0.628 74 A CB -0.344 18.704 19.000 0.081 0.000 0.814 74 A HN 0.360 nan 8.150 nan 0.000 0.444 75 L N -0.983 120.354 121.223 0.189 0.000 2.072 75 L HA -0.111 4.230 4.340 0.002 0.000 0.205 75 L C 2.974 179.987 176.870 0.239 0.000 1.079 75 L CA 0.933 55.953 54.840 0.300 0.000 0.752 75 L CB -0.437 41.791 42.059 0.281 0.000 0.906 75 L HN 0.410 nan 8.230 nan 0.000 0.436 76 A N -0.142 122.772 122.820 0.157 0.000 2.121 76 A HA 0.035 4.356 4.320 0.002 0.000 0.218 76 A C 1.986 179.561 177.584 -0.015 0.000 1.154 76 A CA 1.308 53.393 52.037 0.079 0.000 0.679 76 A CB -0.436 18.562 19.000 -0.004 0.000 0.795 76 A HN 0.361 nan 8.150 nan 0.000 0.458 77 A N -1.234 121.566 122.820 -0.033 0.000 2.507 77 A HA 0.470 4.792 4.320 0.002 0.000 0.270 77 A C 1.422 178.910 177.584 -0.160 0.000 1.318 77 A CA 0.671 52.657 52.037 -0.084 0.000 0.924 77 A CB -1.157 17.808 19.000 -0.058 0.000 1.061 77 A HN 1.735 nan 8.150 nan 0.000 0.516 78 G N -1.177 107.428 108.800 -0.324 0.000 2.273 78 G HA2 0.110 4.071 3.960 0.002 0.000 0.280 78 G HA3 0.110 4.071 3.960 0.002 0.000 0.280 78 G C 0.236 174.924 174.900 -0.354 0.000 1.047 78 G CA 0.501 45.138 45.100 -0.772 0.000 0.869 78 G HN 1.754 nan 8.290 nan 0.000 0.502 79 A N -0.157 122.705 122.820 0.070 0.000 2.343 79 A HA 0.781 5.103 4.320 0.002 0.000 0.316 79 A C 0.271 178.059 177.584 0.340 0.000 1.104 79 A CA -0.735 51.409 52.037 0.180 0.000 0.768 79 A CB 1.078 20.106 19.000 0.047 0.000 1.213 79 A HN 0.746 nan 8.150 nan 0.000 0.456 80 L N 2.873 124.232 121.223 0.226 0.000 2.530 80 L HA 0.218 4.560 4.340 0.002 0.000 0.273 80 L C 0.252 177.173 176.870 0.085 0.000 1.141 80 L CA 0.326 55.226 54.840 0.100 0.000 0.905 80 L CB 0.137 42.234 42.059 0.063 0.000 1.202 80 L HN 0.763 nan 8.230 nan 0.000 0.473 81 T N 1.579 116.193 114.554 0.098 0.000 2.950 81 T HA 0.718 5.070 4.350 0.002 0.000 0.288 81 T C -0.110 174.663 174.700 0.122 0.000 1.035 81 T CA -0.534 61.629 62.100 0.104 0.000 1.028 81 T CB 2.209 71.153 68.868 0.126 0.000 1.109 81 T HN 0.534 nan 8.240 nan 0.000 0.514 82 T N 0.524 115.134 114.554 0.093 0.000 2.802 82 T HA 0.704 5.056 4.350 0.002 0.000 0.311 82 T C -0.983 173.628 174.700 -0.148 0.000 1.405 82 T CA -0.671 61.460 62.100 0.051 0.000 1.016 82 T CB 2.094 71.028 68.868 0.111 0.000 1.352 82 T HN 0.735 nan 8.240 nan 0.000 0.498 83 T N 0.474 114.816 114.554 -0.353 0.000 2.802 83 T HA 0.737 5.089 4.350 0.002 0.000 0.311 83 T C -2.099 172.152 174.700 -0.747 0.000 1.405 83 T CA -0.630 61.140 62.100 -0.550 0.000 1.016 83 T CB 0.795 69.443 68.868 -0.366 0.000 1.352 83 T HN 0.389 nan 8.240 nan 0.000 0.498 84 F N 1.363 121.334 119.950 0.034 0.000 2.529 84 F HA 0.791 5.320 4.527 0.003 0.000 0.320 84 F C 0.638 176.429 175.800 -0.015 0.000 1.118 84 F CA -0.628 57.412 58.000 0.067 0.000 0.915 84 F CB 2.306 41.368 39.000 0.104 0.000 1.161 84 F HN 0.656 nan 8.300 nan 0.000 0.445 85 T N 0.758 115.370 114.554 0.097 0.000 2.653 85 T HA 0.896 5.247 4.350 0.002 0.000 0.306 85 T C -1.813 172.878 174.700 -0.015 0.000 1.426 85 T CA -0.040 62.074 62.100 0.023 0.000 1.008 85 T CB 1.430 70.251 68.868 -0.079 0.000 1.692 85 T HN 1.350 nan 8.240 nan 0.000 0.483 86 A N 0.141 122.942 122.820 -0.032 0.000 2.490 86 A HA 0.744 5.066 4.320 0.002 0.000 0.292 86 A C 0.689 178.247 177.584 -0.044 0.000 1.047 86 A CA 0.710 52.711 52.037 -0.060 0.000 0.632 86 A CB 0.126 19.076 19.000 -0.083 0.000 1.323 86 A HN 2.079 nan 8.150 nan 0.000 0.448 87 S N -0.802 114.865 115.700 -0.056 0.000 4.134 87 S HA -0.378 4.093 4.470 0.002 0.000 0.538 87 S C 1.733 176.321 174.600 -0.020 0.000 1.224 87 S CA 2.615 60.792 58.200 -0.039 0.000 3.613 87 S CB -1.020 62.161 63.200 -0.032 0.000 2.065 87 S HN 1.233 nan 8.310 nan 0.000 0.493 88 Q N 0.963 120.762 119.800 -0.001 0.000 2.152 88 Q HA -0.075 4.267 4.340 0.002 0.000 0.206 88 Q C 2.387 178.406 176.000 0.032 0.000 0.985 88 Q CA 1.993 57.809 55.803 0.021 0.000 0.863 88 Q CB -1.396 27.370 28.738 0.047 0.000 0.904 88 Q HN 0.816 nan 8.270 nan 0.000 0.422 89 G N 1.172 109.996 108.800 0.040 0.000 2.404 89 G HA2 -0.213 3.748 3.960 0.002 0.000 0.215 89 G HA3 -0.213 3.748 3.960 0.002 0.000 0.215 89 G C 1.494 176.386 174.900 -0.013 0.000 1.174 89 G CA 0.688 45.815 45.100 0.045 0.000 0.780 89 G HN 0.310 nan 8.290 nan 0.000 0.537 90 L N 0.638 121.840 121.223 -0.035 0.000 2.042 90 L HA 0.066 4.407 4.340 0.002 0.000 0.210 90 L C 2.709 179.555 176.870 -0.041 0.000 1.076 90 L CA 1.324 56.129 54.840 -0.059 0.000 0.749 90 L CB -0.427 41.593 42.059 -0.065 0.000 0.893 90 L HN 0.208 nan 8.230 nan 0.000 0.432 91 L N -1.256 119.952 121.223 -0.026 0.000 2.191 91 L HA -0.219 4.122 4.340 0.002 0.000 0.212 91 L C 2.177 179.043 176.870 -0.006 0.000 1.103 91 L CA 0.868 55.699 54.840 -0.014 0.000 0.769 91 L CB -0.497 41.559 42.059 -0.006 0.000 0.908 91 L HN 0.295 nan 8.230 nan 0.000 0.438 92 L N -0.899 120.318 121.223 -0.011 0.000 2.599 92 L HA -0.028 4.313 4.340 0.002 0.000 0.230 92 L C 1.947 178.811 176.870 -0.010 0.000 1.141 92 L CA 0.446 55.279 54.840 -0.013 0.000 0.877 92 L CB -0.104 41.939 42.059 -0.027 0.000 1.009 92 L HN 0.389 nan 8.230 nan 0.000 0.447 93 M N -1.204 118.389 119.600 -0.012 0.000 2.337 93 M HA 0.043 4.525 4.480 0.002 0.000 0.256 93 M C 1.810 178.125 176.300 0.025 0.000 1.075 93 M CA 0.043 55.348 55.300 0.008 0.000 1.024 93 M CB 0.553 33.137 32.600 -0.027 0.000 1.429 93 M HN 0.106 nan 8.290 nan 0.000 0.497 94 I N 1.187 121.763 120.570 0.011 0.000 2.118 94 I HA -0.207 3.965 4.170 0.002 0.000 0.241 94 I C -0.494 175.712 176.117 0.147 0.000 1.070 94 I CA 2.056 63.369 61.300 0.021 0.000 1.327 94 I CB -2.571 35.472 38.000 0.072 0.000 1.034 94 I HN 0.111 nan 8.210 nan 0.000 0.405 95 P HA -0.144 nan 4.420 nan 0.000 0.213 95 P C 1.554 178.965 177.300 0.186 0.000 1.170 95 P CA 1.523 64.738 63.100 0.190 0.000 0.902 95 P CB -0.117 31.637 31.700 0.090 0.000 0.789 96 N N -1.158 117.611 118.700 0.116 0.000 2.205 96 N HA -0.118 4.624 4.740 0.002 0.000 0.186 96 N C 1.701 177.242 175.510 0.051 0.000 1.015 96 N CA 1.244 54.345 53.050 0.085 0.000 0.862 96 N CB -0.465 38.095 38.487 0.121 0.000 0.986 96 N HN 0.200 nan 8.380 nan 0.000 0.429 97 M N -0.519 119.083 119.600 0.003 0.000 2.149 97 M HA -0.213 4.268 4.480 0.002 0.000 0.261 97 M C 1.669 177.977 176.300 0.012 0.000 1.064 97 M CA 1.512 56.697 55.300 -0.192 0.000 1.102 97 M CB -0.463 31.769 32.600 -0.613 0.000 1.369 97 M HN 0.162 nan 8.290 nan 0.000 0.408 98 Y N 0.321 120.631 120.300 0.017 0.000 2.181 98 Y HA -0.201 4.351 4.550 0.002 0.000 0.288 98 Y C 2.586 178.505 175.900 0.032 0.000 1.146 98 Y CA 1.135 59.263 58.100 0.047 0.000 1.164 98 Y CB -0.204 38.273 38.460 0.028 0.000 0.982 98 Y HN 0.044 nan 8.280 nan 0.000 0.515 99 K N 0.407 120.881 120.400 0.123 0.000 2.025 99 K HA -0.126 4.196 4.320 0.002 0.000 0.207 99 K C 2.002 178.500 176.600 -0.169 0.000 1.049 99 K CA 1.394 57.647 56.287 -0.056 0.000 0.933 99 K CB -0.729 31.631 32.500 -0.233 0.000 0.714 99 K HN 0.378 nan 8.250 nan 0.000 0.438 100 I N 1.426 121.879 120.570 -0.195 0.000 2.208 100 I HA -0.301 3.870 4.170 0.002 0.000 0.245 100 I C 2.439 178.515 176.117 -0.068 0.000 1.097 100 I CA 1.701 62.937 61.300 -0.108 0.000 1.363 100 I CB -0.463 37.580 38.000 0.073 0.000 1.051 100 I HN 0.153 nan 8.210 nan 0.000 0.413 101 S N 0.630 116.343 115.700 0.021 0.000 2.425 101 S HA 0.008 4.480 4.470 0.002 0.000 0.225 101 S C 2.147 176.767 174.600 0.033 0.000 1.024 101 S CA 0.631 58.796 58.200 -0.058 0.000 0.951 101 S CB -0.837 62.402 63.200 0.065 0.000 0.796 101 S HN 0.446 nan 8.310 nan 0.000 0.498 102 G N 1.402 110.248 108.800 0.078 0.000 2.422 102 G HA2 -0.104 3.857 3.960 0.002 0.000 0.218 102 G HA3 -0.104 3.857 3.960 0.002 0.000 0.218 102 G C 1.228 176.162 174.900 0.056 0.000 1.146 102 G CA 0.585 45.739 45.100 0.091 0.000 0.769 102 G HN 0.642 nan 8.290 nan 0.000 0.547 103 E N -0.156 120.068 120.200 0.040 0.000 2.437 103 E HA 0.342 4.693 4.350 0.002 0.000 0.189 103 E C 0.406 176.999 176.600 -0.011 0.000 1.054 103 E CA -0.451 55.980 56.400 0.051 0.000 0.874 103 E CB -0.025 29.754 29.700 0.131 0.000 1.011 103 E HN 0.270 nan 8.360 nan 0.000 0.474 104 L N 1.321 122.496 121.223 -0.080 0.000 3.762 104 L HA -0.247 4.094 4.340 0.002 0.000 0.460 104 L C -0.594 176.192 176.870 -0.139 0.000 1.255 104 L CA 0.205 54.932 54.840 -0.189 0.000 0.783 104 L CB -1.377 40.472 42.059 -0.350 0.000 1.600 104 L HN 0.301 nan 8.230 nan 0.000 0.862 105 L N 1.924 123.086 121.223 -0.102 0.000 2.334 105 L HA 0.370 4.711 4.340 0.002 0.000 0.277 105 L C -1.174 175.584 176.870 -0.186 0.000 1.075 105 L CA -1.620 53.201 54.840 -0.032 0.000 0.804 105 L CB 0.951 43.053 42.059 0.071 0.000 1.174 105 L HN -0.074 nan 8.230 nan 0.000 0.438 106 P HA 0.052 nan 4.420 nan 0.000 0.246 106 P C 0.376 177.506 177.300 -0.284 0.000 1.686 106 P CA -0.044 62.850 63.100 -0.344 0.000 0.867 106 P CB -0.055 31.316 31.700 -0.548 0.000 1.733 107 G N -0.075 108.584 108.800 -0.236 0.000 2.606 107 G HA2 0.380 4.341 3.960 0.002 0.000 0.252 107 G HA3 0.380 4.341 3.960 0.002 0.000 0.252 107 G C -0.773 174.011 174.900 -0.193 0.000 1.206 107 G CA -0.116 44.901 45.100 -0.138 0.000 0.861 107 G HN 0.130 nan 8.290 nan 0.000 0.561 108 V N 1.277 121.150 119.914 -0.069 0.000 2.567 108 V HA 0.324 4.446 4.120 0.002 0.000 0.298 108 V C -0.727 175.434 176.094 0.111 0.000 1.047 108 V CA -0.618 61.587 62.300 -0.159 0.000 0.880 108 V CB 1.219 32.677 31.823 -0.608 0.000 1.009 108 V HN 0.672 nan 8.190 nan 0.000 0.429 109 F N 2.794 122.691 119.950 -0.089 0.000 2.404 109 F HA 0.541 5.069 4.527 0.003 0.000 0.339 109 F C 0.344 176.046 175.800 -0.164 0.000 1.105 109 F CA -0.702 57.252 58.000 -0.077 0.000 1.087 109 F CB 1.562 40.576 39.000 0.022 0.000 1.143 109 F HN 0.551 nan 8.300 nan 0.000 0.491 110 H N 1.836 121.042 119.070 0.226 0.000 2.718 110 H HA 0.400 4.958 4.556 0.003 0.000 0.295 110 H C -0.808 174.631 175.328 0.184 0.000 1.051 110 H CA -0.449 55.786 56.048 0.312 0.000 1.260 110 H CB 1.802 31.830 29.762 0.442 0.000 1.403 110 H HN 0.340 nan 8.280 nan 0.000 0.488 111 V N 3.545 123.552 119.914 0.155 0.000 2.628 111 V HA 0.480 4.601 4.120 0.002 0.000 0.306 111 V C -0.098 175.793 176.094 -0.339 0.000 1.045 111 V CA -0.614 61.667 62.300 -0.031 0.000 0.905 111 V CB 2.011 33.827 31.823 -0.013 0.000 0.997 111 V HN 0.884 nan 8.190 nan 0.000 0.436 112 T N 4.314 118.642 114.554 -0.376 0.000 2.891 112 T HA 0.676 5.028 4.350 0.002 0.000 0.315 112 T C 0.262 174.808 174.700 -0.256 0.000 1.054 112 T CA 0.149 61.920 62.100 -0.548 0.000 0.958 112 T CB 0.587 69.223 68.868 -0.386 0.000 1.008 112 T HN 1.603 nan 8.240 nan 0.000 0.521 113 A N 4.205 126.921 122.820 -0.174 0.000 2.572 113 A HA 0.265 4.586 4.320 0.002 0.000 0.256 113 A C 0.701 178.261 177.584 -0.042 0.000 1.041 113 A CA 0.083 52.075 52.037 -0.075 0.000 0.790 113 A CB -0.260 18.796 19.000 0.093 0.000 0.947 113 A HN 0.972 nan 8.150 nan 0.000 0.518 114 R N 2.451 122.917 120.500 -0.057 0.000 2.795 114 R HA 0.643 4.984 4.340 0.002 0.000 0.275 114 R C 0.008 176.297 176.300 -0.018 0.000 0.981 114 R CA -0.205 55.884 56.100 -0.019 0.000 0.917 114 R CB 1.614 31.889 30.300 -0.041 0.000 1.202 114 R HN 0.915 nan 8.270 nan 0.000 0.469 115 A N 3.678 126.506 122.820 0.013 0.000 2.406 115 A HA 0.297 4.618 4.320 0.002 0.000 0.243 115 A C 0.087 177.669 177.584 -0.003 0.000 1.082 115 A CA -0.239 51.803 52.037 0.008 0.000 0.786 115 A CB 0.222 19.246 19.000 0.039 0.000 1.029 115 A HN 0.527 nan 8.150 nan 0.000 0.495 116 I N 0.517 121.087 120.570 -0.001 0.000 2.488 116 I HA 0.387 4.558 4.170 0.002 0.000 0.299 116 I C 0.906 177.020 176.117 -0.006 0.000 0.984 116 I CA -0.281 61.016 61.300 -0.005 0.000 1.250 116 I CB 1.155 39.155 38.000 -0.001 0.000 1.389 116 I HN 0.695 nan 8.210 nan 0.000 0.488 117 A N 4.452 127.260 122.820 -0.020 0.000 2.395 117 A HA 0.620 4.941 4.320 0.002 0.000 0.286 117 A C 0.407 177.972 177.584 -0.031 0.000 1.193 117 A CA 0.370 52.382 52.037 -0.042 0.000 0.852 117 A CB 0.161 19.132 19.000 -0.048 0.000 1.118 117 A HN 0.984 nan 8.150 nan 0.000 0.524 118 A N 2.149 124.951 122.820 -0.031 0.000 2.017 118 A HA 0.382 4.703 4.320 0.002 0.000 0.194 118 A C 1.616 179.209 177.584 0.016 0.000 1.985 118 A CA 0.528 52.578 52.037 0.022 0.000 1.584 118 A CB -0.530 18.526 19.000 0.093 0.000 1.244 118 A HN 1.039 nan 8.150 nan 0.000 0.587 119 H N 0.550 119.633 119.070 0.021 0.000 2.489 119 H HA 0.393 4.950 4.556 0.003 0.000 0.293 119 H C 0.418 175.781 175.328 0.059 0.000 1.066 119 H CA 1.641 57.715 56.048 0.043 0.000 1.305 119 H CB -0.278 29.508 29.762 0.040 0.000 1.386 119 H HN 0.803 nan 8.280 nan 0.000 0.551 120 A N 0.366 122.719 122.820 -0.778 0.000 2.586 120 A HA 0.522 4.844 4.320 0.002 0.000 0.290 120 A C -1.396 175.996 177.584 -0.321 0.000 1.086 120 A CA -0.689 51.025 52.037 -0.538 0.000 0.665 120 A CB 0.974 19.564 19.000 -0.683 0.000 1.279 120 A HN 0.263 nan 8.150 nan 0.000 0.423 121 L N 0.393 121.513 121.223 -0.173 0.000 2.387 121 L HA 0.849 5.191 4.340 0.002 0.000 0.266 121 L C 0.043 176.876 176.870 -0.062 0.000 1.059 121 L CA -0.148 54.633 54.840 -0.097 0.000 0.801 121 L CB 1.773 43.791 42.059 -0.068 0.000 1.223 121 L HN 0.922 nan 8.230 nan 0.000 0.456 122 S N 2.809 118.492 115.700 -0.029 0.000 2.605 122 S HA 0.305 4.776 4.470 0.002 0.000 0.279 122 S C 0.113 174.698 174.600 -0.024 0.000 1.166 122 S CA -0.795 57.422 58.200 0.028 0.000 0.975 122 S CB 0.978 64.236 63.200 0.097 0.000 1.111 122 S HN 0.631 nan 8.310 nan 0.000 0.465 123 I N 1.604 122.082 120.570 -0.154 0.000 3.793 123 I HA 0.428 4.599 4.170 0.002 0.000 0.315 123 I C -0.549 175.472 176.117 -0.160 0.000 1.275 123 I CA 0.062 61.243 61.300 -0.199 0.000 1.214 123 I CB -1.550 36.289 38.000 -0.268 0.000 1.018 123 I HN 0.351 nan 8.210 nan 0.000 0.439 124 F N 2.273 122.312 119.950 0.147 0.000 2.370 124 F HA 0.687 5.216 4.527 0.002 0.000 0.324 124 F C 1.608 177.503 175.800 0.159 0.000 1.116 124 F CA -0.325 57.796 58.000 0.202 0.000 1.123 124 F CB 0.637 39.654 39.000 0.029 0.000 1.238 124 F HN 0.009 nan 8.300 nan 0.000 0.536 125 G N 0.873 109.922 108.800 0.414 0.000 2.467 125 G HA2 0.486 4.447 3.960 0.002 0.000 0.257 125 G HA3 0.486 4.447 3.960 0.002 0.000 0.257 125 G C -1.238 173.700 174.900 0.064 0.000 1.227 125 G CA -0.155 45.065 45.100 0.200 0.000 0.835 125 G HN 0.769 nan 8.290 nan 0.000 0.556 126 D N -1.573 118.811 120.400 -0.026 0.000 2.926 126 D HA -0.023 4.619 4.640 0.002 0.000 0.282 126 D C -0.528 175.692 176.300 -0.133 0.000 1.201 126 D CA -0.743 53.144 54.000 -0.190 0.000 0.735 126 D CB -0.140 40.559 40.800 -0.169 0.000 1.257 126 D HN 0.489 nan 8.370 nan 0.000 0.428 127 H N -0.156 118.762 119.070 -0.253 0.000 2.645 127 H HA 0.192 4.749 4.556 0.002 0.000 0.300 127 H C 0.934 176.061 175.328 -0.335 0.000 1.065 127 H CA -0.037 55.741 56.048 -0.449 0.000 1.173 127 H CB 0.474 29.792 29.762 -0.740 0.000 1.383 127 H HN 0.262 nan 8.280 nan 0.000 0.566 128 Q N 0.727 120.494 119.800 -0.055 0.000 2.119 128 Q HA -0.143 4.198 4.340 0.002 0.000 0.201 128 Q C 1.573 177.557 176.000 -0.026 0.000 0.972 128 Q CA 1.548 57.354 55.803 0.005 0.000 0.847 128 Q CB 0.239 28.974 28.738 -0.004 0.000 0.903 128 Q HN 0.687 nan 8.270 nan 0.000 0.433 129 D N 0.823 121.169 120.400 -0.090 0.000 2.085 129 D HA -0.190 4.452 4.640 0.002 0.000 0.199 129 D C 1.964 178.169 176.300 -0.159 0.000 0.981 129 D CA 1.276 55.215 54.000 -0.102 0.000 0.834 129 D CB -0.944 39.793 40.800 -0.105 0.000 0.992 129 D HN 0.455 nan 8.370 nan 0.000 0.457 130 I N -1.926 118.453 120.570 -0.318 0.000 2.194 130 I HA -0.308 3.864 4.170 0.002 0.000 0.246 130 I C 2.331 178.290 176.117 -0.264 0.000 1.093 130 I CA 1.355 62.386 61.300 -0.449 0.000 1.355 130 I CB -0.905 36.472 38.000 -1.038 0.000 1.046 130 I HN -0.073 nan 8.210 nan 0.000 0.413 131 Y N 1.626 121.791 120.300 -0.226 0.000 2.224 131 Y HA -0.114 4.438 4.550 0.003 0.000 0.289 131 Y C 2.884 178.742 175.900 -0.071 0.000 1.146 131 Y CA 0.520 58.544 58.100 -0.126 0.000 1.182 131 Y CB -0.189 38.202 38.460 -0.114 0.000 0.983 131 Y HN 0.303 nan 8.280 nan 0.000 0.524 132 A N -0.211 122.657 122.820 0.081 0.000 2.225 132 A HA 0.072 4.393 4.320 0.002 0.000 0.215 132 A C 1.683 179.269 177.584 0.004 0.000 1.164 132 A CA 1.377 53.434 52.037 0.034 0.000 0.710 132 A CB -0.594 18.411 19.000 0.010 0.000 0.780 132 A HN 0.331 nan 8.150 nan 0.000 0.473 133 A N -0.245 122.561 122.820 -0.023 0.000 2.616 133 A HA 0.354 4.676 4.320 0.002 0.000 0.294 133 A C 1.351 178.894 177.584 -0.069 0.000 1.091 133 A CA 0.128 52.111 52.037 -0.091 0.000 0.971 133 A CB -0.174 18.732 19.000 -0.156 0.000 1.222 133 A HN 0.577 nan 8.150 nan 0.000 0.521 134 R N -0.047 120.471 120.500 0.030 0.000 2.276 134 R HA -0.061 4.281 4.340 0.002 0.000 0.203 134 R C 1.253 177.560 176.300 0.011 0.000 1.017 134 R CA 1.171 57.323 56.100 0.087 0.000 1.010 134 R CB -0.035 30.405 30.300 0.234 0.000 0.900 134 R HN 0.440 nan 8.270 nan 0.000 0.469 135 Q N 1.357 121.139 119.800 -0.031 0.000 2.319 135 Q HA -0.001 4.341 4.340 0.002 0.000 0.202 135 Q C 1.201 177.091 176.000 -0.183 0.000 0.896 135 Q CA 1.215 56.997 55.803 -0.035 0.000 0.942 135 Q CB 0.183 28.953 28.738 0.054 0.000 1.083 135 Q HN 0.364 nan 8.270 nan 0.000 0.510 136 T N -2.580 111.730 114.554 -0.406 0.000 3.051 136 T HA 0.183 4.534 4.350 0.002 0.000 0.269 136 T C 1.384 175.904 174.700 -0.299 0.000 1.127 136 T CA 1.018 62.611 62.100 -0.844 0.000 1.107 136 T CB -0.342 68.077 68.868 -0.748 0.000 0.898 136 T HN 0.582 nan 8.240 nan 0.000 0.517 137 G N 0.356 109.120 108.800 -0.060 0.000 2.131 137 G HA2 -0.165 3.796 3.960 0.002 0.000 0.223 137 G HA3 -0.165 3.796 3.960 0.002 0.000 0.223 137 G C -0.242 174.807 174.900 0.249 0.000 0.990 137 G CA -0.290 44.873 45.100 0.104 0.000 0.671 137 G HN 0.493 nan 8.290 nan 0.000 0.521 138 F N 1.461 121.334 119.950 -0.128 0.000 2.399 138 F HA 0.733 5.261 4.527 0.002 0.000 0.334 138 F C 0.892 176.558 175.800 -0.225 0.000 1.097 138 F CA -0.664 57.212 58.000 -0.207 0.000 1.076 138 F CB 1.575 40.414 39.000 -0.267 0.000 1.162 138 F HN 0.330 nan 8.300 nan 0.000 0.495 139 A N 5.013 127.599 122.820 -0.390 0.000 2.425 139 A HA 0.564 4.886 4.320 0.002 0.000 0.249 139 A C -0.389 176.997 177.584 -0.330 0.000 1.084 139 A CA -0.305 51.369 52.037 -0.605 0.000 0.781 139 A CB 0.017 17.997 19.000 -1.701 0.000 1.019 139 A HN 0.774 nan 8.150 nan 0.000 0.490 140 M N 2.891 122.451 119.600 -0.066 0.000 2.125 140 M HA 0.376 4.857 4.480 0.002 0.000 0.321 140 M C -1.042 175.378 176.300 0.200 0.000 0.983 140 M CA 0.190 55.613 55.300 0.205 0.000 0.934 140 M CB 1.488 34.335 32.600 0.412 0.000 1.542 140 M HN 0.531 nan 8.290 nan 0.000 0.424 141 L N 2.993 124.314 121.223 0.164 0.000 2.298 141 L HA 0.752 5.094 4.340 0.002 0.000 0.284 141 L C -0.288 176.372 176.870 -0.350 0.000 1.013 141 L CA -0.585 54.280 54.840 0.042 0.000 0.824 141 L CB 1.549 43.735 42.059 0.212 0.000 1.221 141 L HN 0.813 nan 8.230 nan 0.000 0.418 142 A N 2.896 125.412 122.820 -0.508 0.000 2.312 142 A HA 0.739 5.060 4.320 0.002 0.000 0.326 142 A C -0.186 177.231 177.584 -0.279 0.000 1.172 142 A CA -0.437 51.099 52.037 -0.836 0.000 0.821 142 A CB 1.135 19.722 19.000 -0.689 0.000 1.166 142 A HN 0.658 nan 8.150 nan 0.000 0.493 143 S N 0.676 116.278 115.700 -0.164 0.000 2.482 143 S HA 0.522 4.994 4.470 0.002 0.000 0.303 143 S C 0.426 175.081 174.600 0.092 0.000 1.091 143 S CA 0.078 58.293 58.200 0.024 0.000 1.057 143 S CB 1.587 64.879 63.200 0.153 0.000 1.031 143 S HN 1.267 nan 8.310 nan 0.000 0.485 144 S N 0.690 116.463 115.700 0.121 0.000 2.540 144 S HA 0.383 4.854 4.470 0.002 0.000 0.218 144 S C 0.511 175.212 174.600 0.169 0.000 0.977 144 S CA 0.130 58.432 58.200 0.172 0.000 0.918 144 S CB -0.621 62.686 63.200 0.178 0.000 0.806 144 S HN 1.312 nan 8.310 nan 0.000 0.496 145 S N -0.875 114.909 115.700 0.140 0.000 2.615 145 S HA 0.526 4.997 4.470 0.002 0.000 0.269 145 S C 0.614 175.263 174.600 0.081 0.000 1.161 145 S CA -0.362 57.911 58.200 0.123 0.000 0.817 145 S CB 0.882 64.152 63.200 0.118 0.000 1.131 145 S HN -0.039 nan 8.310 nan 0.000 0.467 146 V N 1.204 121.162 119.914 0.073 0.000 2.282 146 V HA -0.214 3.907 4.120 0.002 0.000 0.249 146 V C 2.911 179.028 176.094 0.038 0.000 1.057 146 V CA 2.691 65.011 62.300 0.034 0.000 1.032 146 V CB -1.137 30.721 31.823 0.059 0.000 0.645 146 V HN 0.976 nan 8.190 nan 0.000 0.447 147 Q N 0.420 120.262 119.800 0.070 0.000 2.084 147 Q HA -0.215 4.127 4.340 0.002 0.000 0.202 147 Q C 2.097 178.163 176.000 0.111 0.000 0.978 147 Q CA 2.035 57.885 55.803 0.078 0.000 0.844 147 Q CB -0.339 28.460 28.738 0.102 0.000 0.898 147 Q HN 0.711 nan 8.270 nan 0.000 0.426 148 E N -0.797 119.472 120.200 0.114 0.000 2.208 148 E HA -0.082 4.269 4.350 0.002 0.000 0.193 148 E C 1.797 178.419 176.600 0.037 0.000 0.988 148 E CA 0.582 57.023 56.400 0.069 0.000 0.828 148 E CB -0.133 29.611 29.700 0.073 0.000 0.763 148 E HN 0.487 nan 8.360 nan 0.000 0.478 149 A N 1.465 124.304 122.820 0.032 0.000 1.908 149 A HA -0.260 4.062 4.320 0.002 0.000 0.218 149 A C 2.071 179.655 177.584 -0.001 0.000 1.181 149 A CA 1.810 53.848 52.037 0.001 0.000 0.627 149 A CB -0.723 18.077 19.000 -0.333 0.000 0.818 149 A HN 0.360 nan 8.150 nan 0.000 0.445 150 H N 0.286 119.310 119.070 -0.076 0.000 2.299 150 H HA -0.112 4.446 4.556 0.002 0.000 0.302 150 H C 1.373 176.655 175.328 -0.077 0.000 1.078 150 H CA 1.855 57.864 56.048 -0.066 0.000 1.323 150 H CB -0.273 29.456 29.762 -0.056 0.000 1.381 150 H HN 0.408 nan 8.280 nan 0.000 0.498 151 D N 0.621 121.160 120.400 0.232 0.000 2.084 151 D HA -0.140 4.502 4.640 0.002 0.000 0.194 151 D C 2.443 178.672 176.300 -0.118 0.000 0.990 151 D CA 0.908 54.979 54.000 0.118 0.000 0.826 151 D CB -0.146 40.714 40.800 0.099 0.000 0.971 151 D HN 0.324 nan 8.370 nan 0.000 0.453 152 M N 0.855 120.328 119.600 -0.212 0.000 2.159 152 M HA -0.022 4.459 4.480 0.002 0.000 0.263 152 M C 2.364 178.454 176.300 -0.350 0.000 1.063 152 M CA 0.697 55.855 55.300 -0.236 0.000 1.110 152 M CB -1.335 31.207 32.600 -0.096 0.000 1.374 152 M HN -0.032 nan 8.290 nan 0.000 0.411 153 A N 0.251 122.724 122.820 -0.579 0.000 1.948 153 A HA -0.184 4.137 4.320 0.002 0.000 0.220 153 A C 2.368 179.895 177.584 -0.095 0.000 1.177 153 A CA 1.542 53.301 52.037 -0.464 0.000 0.636 153 A CB -0.945 17.866 19.000 -0.316 0.000 0.815 153 A HN 0.489 nan 8.150 nan 0.000 0.449 154 L N -0.557 120.565 121.223 -0.168 0.000 2.044 154 L HA -0.105 4.237 4.340 0.002 0.000 0.205 154 L C 2.500 179.272 176.870 -0.163 0.000 1.075 154 L CA 1.275 56.035 54.840 -0.133 0.000 0.747 154 L CB -0.286 41.686 42.059 -0.144 0.000 0.903 154 L HN 0.260 nan 8.230 nan 0.000 0.435 155 V N 0.496 120.306 119.914 -0.173 0.000 2.282 155 V HA -0.355 3.766 4.120 0.002 0.000 0.249 155 V C 2.837 178.682 176.094 -0.415 0.000 1.057 155 V CA 1.835 64.009 62.300 -0.210 0.000 1.032 155 V CB -1.118 30.632 31.823 -0.122 0.000 0.645 155 V HN 0.600 nan 8.190 nan 0.000 0.447 156 A N -1.000 121.568 122.820 -0.420 0.000 1.873 156 A HA -0.311 4.011 4.320 0.002 0.000 0.218 156 A C 2.147 179.283 177.584 -0.746 0.000 1.193 156 A CA 2.266 53.892 52.037 -0.686 0.000 0.629 156 A CB -0.892 17.917 19.000 -0.318 0.000 0.826 156 A HN 0.691 nan 8.150 nan 0.000 0.447 157 H N -0.515 118.305 119.070 -0.417 0.000 2.357 157 H HA -0.031 4.526 4.556 0.002 0.000 0.301 157 H C 2.166 177.218 175.328 -0.460 0.000 1.082 157 H CA 1.736 57.576 56.048 -0.348 0.000 1.342 157 H CB -0.279 29.350 29.762 -0.221 0.000 1.389 157 H HN 0.427 nan 8.280 nan 0.000 0.511 158 L N 0.067 121.014 121.223 -0.460 0.000 2.046 158 L HA -0.145 4.197 4.340 0.002 0.000 0.208 158 L C 2.933 179.263 176.870 -0.900 0.000 1.077 158 L CA 0.934 55.275 54.840 -0.831 0.000 0.747 158 L CB -0.473 40.813 42.059 -1.287 0.000 0.896 158 L HN 0.205 nan 8.230 nan 0.000 0.432 159 A N 0.131 122.508 122.820 -0.738 0.000 1.855 159 A HA -0.132 4.189 4.320 0.002 0.000 0.215 159 A C 2.579 179.967 177.584 -0.326 0.000 1.191 159 A CA 1.598 53.371 52.037 -0.439 0.000 0.613 159 A CB -0.828 17.766 19.000 -0.676 0.000 0.829 159 A HN 0.365 nan 8.150 nan 0.000 0.442 160 A N 0.157 122.679 122.820 -0.497 0.000 1.903 160 A HA -0.200 4.122 4.320 0.002 0.000 0.219 160 A C 2.130 179.595 177.584 -0.199 0.000 1.191 160 A CA 1.820 53.745 52.037 -0.187 0.000 0.638 160 A CB -0.768 18.104 19.000 -0.213 0.000 0.823 160 A HN 0.534 nan 8.150 nan 0.000 0.451 161 I N -1.055 119.366 120.570 -0.247 0.000 2.226 161 I HA -0.247 3.924 4.170 0.002 0.000 0.245 161 I C 2.593 178.648 176.117 -0.102 0.000 1.100 161 I CA 1.964 63.135 61.300 -0.215 0.000 1.374 161 I CB -0.331 37.554 38.000 -0.191 0.000 1.057 161 I HN 0.559 nan 8.210 nan 0.000 0.413 162 E N 0.620 120.794 120.200 -0.045 0.000 2.230 162 E HA -0.143 4.209 4.350 0.002 0.000 0.192 162 E C 2.114 178.759 176.600 0.074 0.000 0.987 162 E CA 1.136 57.574 56.400 0.064 0.000 0.841 162 E CB 0.201 30.018 29.700 0.196 0.000 0.783 162 E HN 0.464 nan 8.360 nan 0.000 0.481 163 S N -0.702 115.030 115.700 0.053 0.000 2.503 163 S HA 0.076 4.548 4.470 0.002 0.000 0.215 163 S C 0.693 175.303 174.600 0.017 0.000 1.003 163 S CA 0.496 58.743 58.200 0.077 0.000 0.910 163 S CB -0.160 63.097 63.200 0.096 0.000 0.790 163 S HN 0.460 nan 8.310 nan 0.000 0.514 164 N N -0.392 118.269 118.700 -0.066 0.000 2.800 164 N HA -0.124 4.618 4.740 0.002 0.000 0.250 164 N C -1.099 174.262 175.510 -0.248 0.000 1.078 164 N CA 0.454 53.407 53.050 -0.161 0.000 0.804 164 N CB -1.249 37.122 38.487 -0.195 0.000 1.135 164 N HN 0.308 nan 8.380 nan 0.000 0.565 165 V N 1.568 121.349 119.914 -0.223 0.000 2.398 165 V HA 0.385 4.506 4.120 0.002 0.000 0.286 165 V C -1.830 174.052 176.094 -0.353 0.000 1.026 165 V CA -1.350 60.727 62.300 -0.373 0.000 0.868 165 V CB 1.556 33.092 31.823 -0.478 0.000 0.982 165 V HN -0.059 nan 8.190 nan 0.000 0.443 166 P HA 0.182 nan 4.420 nan 0.000 0.271 166 P C -1.037 175.779 177.300 -0.807 0.000 1.220 166 P CA 0.022 62.583 63.100 -0.898 0.000 0.768 166 P CB 0.499 31.125 31.700 -1.790 0.000 0.848 167 F N 2.494 122.132 119.950 -0.520 0.000 2.425 167 F HA 0.503 5.032 4.527 0.002 0.000 0.331 167 F C 1.017 176.780 175.800 -0.062 0.000 1.085 167 F CA -0.757 57.095 58.000 -0.247 0.000 1.028 167 F CB 1.836 40.695 39.000 -0.236 0.000 1.177 167 F HN 0.178 nan 8.300 nan 0.000 0.487 168 M N 4.446 124.180 119.600 0.224 0.000 2.006 168 M HA 0.274 4.756 4.480 0.002 0.000 0.314 168 M C -1.552 174.941 176.300 0.321 0.000 0.926 168 M CA -0.664 54.809 55.300 0.287 0.000 0.906 168 M CB 0.272 33.041 32.600 0.282 0.000 1.422 168 M HN 0.696 nan 8.290 nan 0.000 0.397 169 H N 5.675 124.822 119.070 0.127 0.000 2.742 169 H HA 0.497 5.054 4.556 0.002 0.000 0.302 169 H C -1.744 173.764 175.328 0.301 0.000 1.069 169 H CA 0.069 56.202 56.048 0.143 0.000 1.446 169 H CB 0.350 30.174 29.762 0.103 0.000 1.462 169 H HN 0.547 nan 8.280 nan 0.000 0.499 170 F N 4.497 124.284 119.950 -0.272 0.000 2.599 170 F HA 0.665 5.193 4.527 0.002 0.000 0.311 170 F C -2.057 173.664 175.800 -0.133 0.000 1.076 170 F CA -1.641 56.188 58.000 -0.285 0.000 0.937 170 F CB 1.103 39.975 39.000 -0.213 0.000 1.282 170 F HN 0.375 nan 8.300 nan 0.000 0.460 171 F N -0.962 119.027 119.950 0.064 0.000 2.641 171 F HA 0.492 5.020 4.527 0.002 0.000 0.308 171 F C -1.204 174.729 175.800 0.222 0.000 1.105 171 F CA -1.463 56.597 58.000 0.100 0.000 0.964 171 F CB 0.794 39.809 39.000 0.025 0.000 1.294 171 F HN 0.377 nan 8.300 nan 0.000 0.442 172 D N 1.961 122.594 120.400 0.390 0.000 2.581 172 D HA 0.244 4.885 4.640 0.002 0.000 0.238 172 D C 0.586 177.036 176.300 0.249 0.000 1.145 172 D CA 0.772 54.947 54.000 0.291 0.000 0.866 172 D CB 0.901 41.880 40.800 0.299 0.000 1.151 172 D HN 0.998 nan 8.370 nan 0.000 0.500 173 G N 1.368 110.245 108.800 0.128 0.000 2.365 173 G HA2 0.249 4.210 3.960 0.002 0.000 0.249 173 G HA3 0.249 4.210 3.960 0.002 0.000 0.249 173 G C 0.425 175.484 174.900 0.265 0.000 1.288 173 G CA -0.300 44.828 45.100 0.046 0.000 0.887 173 G HN 0.463 nan 8.290 nan 0.000 0.524 174 F N 0.117 120.228 119.950 0.268 0.000 2.559 174 F HA -0.303 4.225 4.527 0.002 0.000 0.681 174 F C 2.237 178.357 175.800 0.533 0.000 0.488 174 F CA 2.066 60.248 58.000 0.303 0.000 0.759 174 F CB -1.085 38.070 39.000 0.259 0.000 1.634 174 F HN 0.537 nan 8.300 nan 0.000 0.264 175 R N 0.614 121.505 120.500 0.653 0.000 2.193 175 R HA 0.009 4.351 4.340 0.002 0.000 0.229 175 R C 1.530 178.084 176.300 0.423 0.000 1.110 175 R CA 2.499 58.894 56.100 0.492 0.000 0.988 175 R CB -0.538 29.944 30.300 0.302 0.000 0.871 175 R HN 0.630 nan 8.270 nan 0.000 0.458 176 T N -2.426 112.395 114.554 0.445 0.000 3.250 176 T HA 0.013 4.364 4.350 0.002 0.000 0.265 176 T C 1.423 176.370 174.700 0.411 0.000 0.973 176 T CA 0.426 62.760 62.100 0.391 0.000 1.040 176 T CB -0.117 68.996 68.868 0.409 0.000 1.167 176 T HN 0.317 nan 8.240 nan 0.000 0.471 177 S N 1.613 117.653 115.700 0.567 0.000 2.400 177 S HA -0.178 4.293 4.470 0.002 0.000 0.232 177 S C 1.340 176.132 174.600 0.320 0.000 1.025 177 S CA 1.493 60.032 58.200 0.564 0.000 0.993 177 S CB -0.484 63.040 63.200 0.541 0.000 0.808 177 S HN 0.561 nan 8.310 nan 0.000 0.478 178 H N 0.798 120.008 119.070 0.234 0.000 2.528 178 H HA 0.484 5.041 4.556 0.002 0.000 0.282 178 H C -0.139 175.344 175.328 0.259 0.000 1.097 178 H CA -0.237 55.941 56.048 0.217 0.000 1.121 178 H CB 0.232 30.151 29.762 0.262 0.000 1.590 178 H HN 0.649 nan 8.280 nan 0.000 0.553 179 E N 1.721 122.150 120.200 0.381 0.000 2.109 179 E HA 0.154 4.505 4.350 0.002 0.000 0.278 179 E C -0.532 176.198 176.600 0.217 0.000 0.954 179 E CA -0.618 55.999 56.400 0.362 0.000 0.779 179 E CB 0.765 30.685 29.700 0.366 0.000 1.093 179 E HN 0.158 nan 8.360 nan 0.000 0.401 180 I N 3.977 124.660 120.570 0.189 0.000 2.396 180 I HA 0.263 4.434 4.170 0.002 0.000 0.292 180 I C -0.842 175.335 176.117 0.099 0.000 0.999 180 I CA -0.070 61.312 61.300 0.137 0.000 1.310 180 I CB 1.013 39.109 38.000 0.160 0.000 1.404 180 I HN 0.765 nan 8.210 nan 0.000 0.496 181 Q N 5.382 125.235 119.800 0.089 0.000 2.553 181 Q HA 0.313 4.655 4.340 0.002 0.000 0.293 181 Q C -1.307 174.744 176.000 0.085 0.000 1.038 181 Q CA -0.936 54.918 55.803 0.085 0.000 0.777 181 Q CB 2.688 31.482 28.738 0.093 0.000 1.487 181 Q HN 0.547 nan 8.270 nan 0.000 0.426 182 K N 2.384 122.844 120.400 0.101 0.000 2.268 182 K HA 0.423 4.744 4.320 0.002 0.000 0.276 182 K C -0.286 176.349 176.600 0.058 0.000 1.080 182 K CA 0.013 56.338 56.287 0.062 0.000 0.910 182 K CB -0.062 32.460 32.500 0.036 0.000 1.163 182 K HN 0.556 nan 8.250 nan 0.000 0.465 183 I N -0.867 119.714 120.570 0.019 0.000 3.516 183 I HA 0.542 4.714 4.170 0.002 0.000 0.297 183 I C -1.164 174.915 176.117 -0.063 0.000 1.139 183 I CA -1.086 60.214 61.300 -0.000 0.000 1.020 183 I CB 1.894 39.890 38.000 -0.007 0.000 1.341 183 I HN 0.470 nan 8.210 nan 0.000 0.490 184 E N 1.662 121.794 120.200 -0.113 0.000 2.199 184 E HA 0.572 4.923 4.350 0.002 0.000 0.265 184 E C -1.236 175.140 176.600 -0.374 0.000 0.882 184 E CA -0.820 55.479 56.400 -0.168 0.000 0.759 184 E CB 2.220 31.853 29.700 -0.111 0.000 1.148 184 E HN 0.638 nan 8.360 nan 0.000 0.412 185 V N 1.644 121.353 119.914 -0.342 0.000 3.234 185 V HA 0.663 4.784 4.120 0.002 0.000 0.317 185 V C -0.571 175.464 176.094 -0.098 0.000 1.147 185 V CA -0.941 61.078 62.300 -0.469 0.000 1.037 185 V CB 1.414 32.978 31.823 -0.432 0.000 1.148 185 V HN 0.638 nan 8.190 nan 0.000 0.455 186 L N 0.926 122.309 121.223 0.268 0.000 2.346 186 L HA 0.536 4.877 4.340 0.002 0.000 0.274 186 L C -0.296 176.793 176.870 0.366 0.000 1.007 186 L CA -0.758 54.242 54.840 0.265 0.000 0.818 186 L CB 1.819 44.043 42.059 0.276 0.000 1.284 186 L HN 0.718 nan 8.230 nan 0.000 0.424 187 D N 0.744 121.279 120.400 0.225 0.000 2.390 187 D HA -0.085 4.557 4.640 0.002 0.000 0.236 187 D C 0.551 177.038 176.300 0.313 0.000 1.189 187 D CA 0.253 54.377 54.000 0.206 0.000 0.887 187 D CB 0.934 41.789 40.800 0.093 0.000 1.198 187 D HN 0.359 nan 8.370 nan 0.000 0.444 188 Y N 0.816 121.110 120.300 -0.010 0.000 2.242 188 Y HA -0.126 4.426 4.550 0.002 0.000 0.291 188 Y C 2.398 178.270 175.900 -0.047 0.000 1.137 188 Y CA 0.669 58.740 58.100 -0.049 0.000 1.181 188 Y CB -1.085 37.324 38.460 -0.084 0.000 0.989 188 Y HN 0.479 nan 8.280 nan 0.000 0.527 189 A N 0.375 123.276 122.820 0.134 0.000 1.892 189 A HA -0.260 4.061 4.320 0.002 0.000 0.218 189 A C 1.935 179.538 177.584 0.031 0.000 1.188 189 A CA 2.314 54.381 52.037 0.051 0.000 0.631 189 A CB -0.964 18.057 19.000 0.035 0.000 0.822 189 A HN 0.423 nan 8.150 nan 0.000 0.447 190 D N -0.538 119.895 120.400 0.056 0.000 2.084 190 D HA -0.162 4.480 4.640 0.002 0.000 0.194 190 D C 2.061 178.376 176.300 0.024 0.000 0.990 190 D CA 1.730 55.759 54.000 0.047 0.000 0.826 190 D CB -0.319 40.526 40.800 0.074 0.000 0.971 190 D HN 0.459 nan 8.370 nan 0.000 0.453 191 M N 0.445 120.057 119.600 0.020 0.000 2.106 191 M HA -0.212 4.270 4.480 0.002 0.000 0.259 191 M C 2.304 178.547 176.300 -0.096 0.000 1.068 191 M CA 1.570 56.842 55.300 -0.047 0.000 1.100 191 M CB -0.356 32.178 32.600 -0.110 0.000 1.351 191 M HN 0.065 nan 8.290 nan 0.000 0.404 192 A N 0.285 123.041 122.820 -0.107 0.000 1.933 192 A HA -0.163 4.158 4.320 0.002 0.000 0.218 192 A C 2.226 179.748 177.584 -0.104 0.000 1.175 192 A CA 2.100 54.043 52.037 -0.157 0.000 0.628 192 A CB -0.916 17.987 19.000 -0.161 0.000 0.814 192 A HN 0.610 nan 8.150 nan 0.000 0.444 193 S N -1.377 114.293 115.700 -0.049 0.000 2.555 193 S HA 0.063 4.534 4.470 0.002 0.000 0.230 193 S C 1.214 175.817 174.600 0.005 0.000 0.978 193 S CA 1.027 59.215 58.200 -0.020 0.000 0.934 193 S CB -0.186 63.013 63.200 -0.001 0.000 0.766 193 S HN 0.208 nan 8.310 nan 0.000 0.533 194 L N 1.399 122.625 121.223 0.004 0.000 2.607 194 L HA 0.434 4.776 4.340 0.002 0.000 0.228 194 L C 0.279 177.191 176.870 0.069 0.000 1.123 194 L CA 0.130 55.008 54.840 0.064 0.000 0.890 194 L CB 0.295 42.400 42.059 0.075 0.000 1.103 194 L HN 0.157 nan 8.230 nan 0.000 0.468 195 V N 0.707 120.608 119.914 -0.022 0.000 2.811 195 V HA 0.047 4.168 4.120 0.002 0.000 0.302 195 V C 0.733 176.847 176.094 0.033 0.000 1.063 195 V CA -0.473 61.799 62.300 -0.048 0.000 1.088 195 V CB 0.928 32.688 31.823 -0.105 0.000 0.982 195 V HN 0.273 nan 8.190 nan 0.000 0.485 196 N N 3.815 122.550 118.700 0.058 0.000 2.602 196 N HA 0.073 4.814 4.740 0.002 0.000 0.238 196 N C 1.093 176.644 175.510 0.068 0.000 1.084 196 N CA -0.217 52.890 53.050 0.094 0.000 0.952 196 N CB 1.024 39.597 38.487 0.143 0.000 1.244 196 N HN 0.589 nan 8.380 nan 0.000 0.512 197 Q N 2.321 122.155 119.800 0.057 0.000 2.152 197 Q HA -0.197 4.144 4.340 0.002 0.000 0.206 197 Q C 0.925 176.970 176.000 0.075 0.000 0.985 197 Q CA 1.743 57.585 55.803 0.065 0.000 0.863 197 Q CB 0.071 28.839 28.738 0.049 0.000 0.904 197 Q HN 0.509 nan 8.270 nan 0.000 0.422 198 K N 0.784 121.224 120.400 0.066 0.000 2.025 198 K HA -0.012 4.310 4.320 0.002 0.000 0.207 198 K C 2.073 178.721 176.600 0.080 0.000 1.049 198 K CA 1.279 57.605 56.287 0.064 0.000 0.933 198 K CB -0.798 31.734 32.500 0.052 0.000 0.714 198 K HN 0.180 nan 8.250 nan 0.000 0.438 199 A N 1.184 124.054 122.820 0.084 0.000 1.908 199 A HA -0.150 4.172 4.320 0.002 0.000 0.218 199 A C 2.177 179.835 177.584 0.123 0.000 1.181 199 A CA 1.532 53.624 52.037 0.092 0.000 0.627 199 A CB -0.690 18.356 19.000 0.077 0.000 0.818 199 A HN 0.241 nan 8.150 nan 0.000 0.445 200 L N -0.364 120.934 121.223 0.126 0.000 2.056 200 L HA 0.004 4.346 4.340 0.002 0.000 0.207 200 L C 2.676 179.674 176.870 0.213 0.000 1.078 200 L CA 2.135 57.090 54.840 0.191 0.000 0.749 200 L CB -0.900 41.270 42.059 0.186 0.000 0.901 200 L HN 0.336 nan 8.230 nan 0.000 0.433 201 A N -0.881 122.024 122.820 0.141 0.000 1.933 201 A HA -0.220 4.101 4.320 0.002 0.000 0.218 201 A C 2.163 179.799 177.584 0.087 0.000 1.175 201 A CA 1.830 53.927 52.037 0.100 0.000 0.628 201 A CB -0.587 18.455 19.000 0.070 0.000 0.814 201 A HN 0.620 nan 8.150 nan 0.000 0.444 202 E N -1.635 118.629 120.200 0.107 0.000 2.208 202 E HA -0.099 4.253 4.350 0.002 0.000 0.193 202 E C 1.605 178.282 176.600 0.129 0.000 0.988 202 E CA 0.839 57.295 56.400 0.093 0.000 0.828 202 E CB -0.177 29.579 29.700 0.095 0.000 0.763 202 E HN 0.726 nan 8.360 nan 0.000 0.478 203 F N 1.804 121.767 119.950 0.021 0.000 2.259 203 F HA -0.063 4.465 4.527 0.002 0.000 0.298 203 F C 1.922 177.736 175.800 0.023 0.000 1.088 203 F CA 1.015 59.024 58.000 0.016 0.000 1.358 203 F CB 0.201 39.210 39.000 0.015 0.000 1.040 203 F HN -0.177 nan 8.300 nan 0.000 0.505 204 R N 0.775 121.211 120.500 -0.107 0.000 2.073 204 R HA 0.042 4.384 4.340 0.002 0.000 0.229 204 R C 2.456 178.690 176.300 -0.111 0.000 1.120 204 R CA 1.157 57.142 56.100 -0.193 0.000 0.967 204 R CB -1.593 28.674 30.300 -0.054 0.000 0.862 204 R HN 0.389 nan 8.270 nan 0.000 0.436 205 A N 2.768 125.561 122.820 -0.046 0.000 1.841 205 A HA -0.238 4.084 4.320 0.002 0.000 0.216 205 A C 2.108 179.710 177.584 0.030 0.000 1.199 205 A CA 2.169 54.192 52.037 -0.023 0.000 0.621 205 A CB -0.507 18.473 19.000 -0.034 0.000 0.835 205 A HN 0.447 nan 8.150 nan 0.000 0.445 206 K N -0.003 120.383 120.400 -0.024 0.000 2.280 206 K HA 0.024 4.345 4.320 0.002 0.000 0.202 206 K C 0.767 177.308 176.600 -0.098 0.000 1.047 206 K CA 1.025 57.266 56.287 -0.076 0.000 0.942 206 K CB -0.371 32.093 32.500 -0.059 0.000 0.739 206 K HN 0.273 nan 8.250 nan 0.000 0.457 207 S N 1.213 116.860 115.700 -0.089 0.000 2.587 207 S HA 0.075 4.546 4.470 0.002 0.000 0.260 207 S C 0.374 175.001 174.600 0.045 0.000 1.353 207 S CA -0.510 57.643 58.200 -0.078 0.000 0.995 207 S CB 0.320 63.344 63.200 -0.293 0.000 0.912 207 S HN 0.201 nan 8.310 nan 0.000 0.568 208 M N 2.744 122.366 119.600 0.036 0.000 2.249 208 M HA 0.148 4.630 4.480 0.002 0.000 0.340 208 M C 0.352 176.549 176.300 -0.170 0.000 1.166 208 M CA 0.707 55.977 55.300 -0.050 0.000 1.115 208 M CB -0.019 32.512 32.600 -0.116 0.000 1.606 208 M HN 0.581 nan 8.290 nan 0.000 0.448 209 N N 3.222 121.761 118.700 -0.267 0.000 5.094 209 N HA 0.063 4.804 4.740 0.002 0.000 0.159 209 N C -2.652 172.683 175.510 -0.292 0.000 1.016 209 N CA -0.672 52.203 53.050 -0.292 0.000 1.158 209 N CB 1.559 39.828 38.487 -0.363 0.000 1.540 209 N HN 0.243 nan 8.380 nan 0.000 0.969 210 P HA -0.101 nan 4.420 nan 0.000 0.223 210 P C 0.774 178.048 177.300 -0.042 0.000 1.144 210 P CA 1.123 64.169 63.100 -0.089 0.000 0.783 210 P CB 0.610 32.276 31.700 -0.057 0.000 0.771 211 E N -0.068 120.129 120.200 -0.006 0.000 2.204 211 E HA -0.145 4.207 4.350 0.002 0.000 0.195 211 E C 0.842 177.562 176.600 0.201 0.000 0.990 211 E CA 0.895 57.366 56.400 0.118 0.000 0.821 211 E CB -0.316 29.509 29.700 0.209 0.000 0.750 211 E HN 0.541 nan 8.360 nan 0.000 0.477 212 H N -2.661 116.418 119.070 0.015 0.000 2.696 212 H HA 0.286 4.844 4.556 0.002 0.000 0.221 212 H C -2.802 172.568 175.328 0.070 0.000 1.399 212 H CA -1.938 54.127 56.048 0.027 0.000 1.408 212 H CB -0.662 29.108 29.762 0.013 0.000 1.853 212 H HN -0.043 nan 8.280 nan 0.000 0.546 213 P HA 0.138 nan 4.420 nan 0.000 0.272 213 P C -0.082 177.289 177.300 0.118 0.000 1.230 213 P CA 0.508 63.600 63.100 -0.013 0.000 0.788 213 P CB 1.476 33.146 31.700 -0.049 0.000 0.949 214 H N -1.423 117.613 119.070 -0.057 0.000 3.014 214 H HA 0.460 5.018 4.556 0.002 0.000 0.337 214 H C -1.844 173.469 175.328 -0.026 0.000 1.320 214 H CA -0.993 55.041 56.048 -0.024 0.000 1.128 214 H CB 1.051 30.807 29.762 -0.010 0.000 1.862 214 H HN 0.299 nan 8.280 nan 0.000 0.536 215 V N 2.278 122.152 119.914 -0.065 0.000 2.459 215 V HA 0.623 4.745 4.120 0.002 0.000 0.295 215 V C -0.340 175.727 176.094 -0.045 0.000 1.029 215 V CA -0.625 61.605 62.300 -0.117 0.000 0.874 215 V CB 1.159 32.960 31.823 -0.038 0.000 0.985 215 V HN 0.990 nan 8.190 nan 0.000 0.438 216 R N 4.627 125.077 120.500 -0.083 0.000 2.750 216 R HA 0.778 5.120 4.340 0.002 0.000 0.281 216 R C 0.256 176.572 176.300 0.027 0.000 0.972 216 R CA -0.293 55.816 56.100 0.015 0.000 0.912 216 R CB 1.799 32.118 30.300 0.032 0.000 1.187 216 R HN 1.703 nan 8.270 nan 0.000 0.464 217 G N 1.543 110.386 108.800 0.072 0.000 2.303 217 G HA2 -0.293 3.669 3.960 0.002 0.000 0.260 217 G HA3 -0.293 3.669 3.960 0.002 0.000 0.260 217 G C 0.126 175.062 174.900 0.060 0.000 1.106 217 G CA 0.245 45.393 45.100 0.080 0.000 0.900 217 G HN 1.069 nan 8.290 nan 0.000 0.495 218 T N -2.180 112.414 114.554 0.066 0.000 2.715 218 T HA 0.742 5.093 4.350 0.002 0.000 0.320 218 T C 0.604 175.343 174.700 0.065 0.000 1.046 218 T CA 0.466 62.600 62.100 0.057 0.000 0.983 218 T CB 1.850 70.756 68.868 0.062 0.000 1.183 218 T HN 1.894 nan 8.240 nan 0.000 0.522 219 A N 0.773 123.627 122.820 0.056 0.000 2.332 219 A HA 0.591 4.912 4.320 0.002 0.000 0.300 219 A C -0.475 177.148 177.584 0.064 0.000 1.153 219 A CA -0.871 51.194 52.037 0.048 0.000 0.764 219 A CB 0.859 19.871 19.000 0.020 0.000 1.174 219 A HN 0.764 nan 8.150 nan 0.000 0.467 220 Q N 1.721 121.580 119.800 0.098 0.000 2.337 220 Q HA 0.328 4.670 4.340 0.002 0.000 0.266 220 Q C -0.376 175.680 176.000 0.093 0.000 1.023 220 Q CA -0.589 55.292 55.803 0.131 0.000 0.829 220 Q CB 2.076 30.956 28.738 0.237 0.000 1.306 220 Q HN 0.892 nan 8.270 nan 0.000 0.449 221 N N 1.834 120.584 118.700 0.082 0.000 2.364 221 N HA 0.102 4.843 4.740 0.002 0.000 0.264 221 N C -1.838 173.731 175.510 0.099 0.000 1.263 221 N CA -1.458 51.625 53.050 0.055 0.000 0.959 221 N CB 0.369 38.882 38.487 0.044 0.000 1.204 221 N HN 0.314 nan 8.380 nan 0.000 0.550 222 P HA -0.150 nan 4.420 nan 0.000 0.222 222 P C 0.453 177.835 177.300 0.137 0.000 1.147 222 P CA 1.004 64.170 63.100 0.109 0.000 0.790 222 P CB 0.019 31.758 31.700 0.064 0.000 0.780 223 D N 0.267 120.729 120.400 0.103 0.000 2.144 223 D HA -0.167 4.475 4.640 0.002 0.000 0.199 223 D C 1.671 178.031 176.300 0.099 0.000 0.984 223 D CA 1.462 55.515 54.000 0.088 0.000 0.834 223 D CB -0.711 40.126 40.800 0.062 0.000 0.955 223 D HN 0.346 nan 8.370 nan 0.000 0.465 224 I N -4.813 115.833 120.570 0.126 0.000 4.730 224 I HA 0.225 4.396 4.170 0.002 0.000 0.332 224 I C 2.142 178.347 176.117 0.147 0.000 1.299 224 I CA -0.659 60.707 61.300 0.111 0.000 1.294 224 I CB -0.178 37.868 38.000 0.077 0.000 1.317 224 I HN -0.220 nan 8.210 nan 0.000 0.457 225 Y N 2.377 122.735 120.300 0.097 0.000 2.096 225 Y HA -0.345 4.206 4.550 0.002 0.000 0.278 225 Y C 2.284 178.292 175.900 0.180 0.000 1.192 225 Y CA 2.687 60.850 58.100 0.105 0.000 1.143 225 Y CB -0.559 37.943 38.460 0.070 0.000 0.963 225 Y HN 0.315 nan 8.280 nan 0.000 0.505 226 F N 0.461 120.404 119.950 -0.012 0.000 2.046 226 F HA -0.390 4.138 4.527 0.002 0.000 0.297 226 F C 2.259 177.978 175.800 -0.134 0.000 1.123 226 F CA 1.596 59.548 58.000 -0.079 0.000 1.199 226 F CB -0.178 38.847 39.000 0.042 0.000 0.972 226 F HN 0.182 nan 8.300 nan 0.000 0.474 227 Q N 0.501 120.314 119.800 0.022 0.000 2.061 227 Q HA -0.157 4.184 4.340 0.002 0.000 0.204 227 Q C 2.324 178.294 176.000 -0.050 0.000 0.984 227 Q CA 1.751 57.492 55.803 -0.104 0.000 0.846 227 Q CB -1.186 27.497 28.738 -0.091 0.000 0.902 227 Q HN 0.563 nan 8.270 nan 0.000 0.421 228 G N 0.268 109.035 108.800 -0.056 0.000 2.450 228 G HA2 -0.331 3.631 3.960 0.002 0.000 0.220 228 G HA3 -0.331 3.631 3.960 0.002 0.000 0.220 228 G C 1.529 176.371 174.900 -0.097 0.000 1.130 228 G CA 0.837 45.897 45.100 -0.068 0.000 0.760 228 G HN 0.200 nan 8.290 nan 0.000 0.557 229 R N 0.254 120.651 120.500 -0.171 0.000 2.189 229 R HA 0.053 4.394 4.340 0.002 0.000 0.218 229 R C 2.089 178.383 176.300 -0.010 0.000 1.074 229 R CA 0.905 56.921 56.100 -0.140 0.000 0.991 229 R CB 0.007 30.175 30.300 -0.219 0.000 0.883 229 R HN 0.228 nan 8.270 nan 0.000 0.457 230 E N -0.442 119.771 120.200 0.022 0.000 2.400 230 E HA 0.059 4.411 4.350 0.002 0.000 0.195 230 E C 1.635 178.259 176.600 0.040 0.000 1.012 230 E CA 0.705 57.123 56.400 0.031 0.000 0.875 230 E CB 0.219 29.917 29.700 -0.003 0.000 0.859 230 E HN 0.377 nan 8.360 nan 0.000 0.498 231 A N 1.425 124.270 122.820 0.042 0.000 2.084 231 A HA -0.124 4.198 4.320 0.002 0.000 0.221 231 A C 2.145 179.830 177.584 0.169 0.000 1.161 231 A CA 1.735 53.819 52.037 0.079 0.000 0.653 231 A CB -0.257 18.785 19.000 0.070 0.000 0.802 231 A HN 0.195 nan 8.150 nan 0.000 0.457 232 A N -0.757 122.189 122.820 0.210 0.000 2.345 232 A HA 0.151 4.473 4.320 0.002 0.000 0.225 232 A C 1.338 179.167 177.584 0.407 0.000 1.243 232 A CA 0.380 52.661 52.037 0.407 0.000 0.875 232 A CB -0.657 18.568 19.000 0.376 0.000 0.929 232 A HN 0.683 nan 8.150 nan 0.000 0.502 233 N N 0.875 119.702 118.700 0.211 0.000 2.192 233 N HA -0.154 4.587 4.740 0.002 0.000 0.188 233 N C -1.082 174.518 175.510 0.150 0.000 1.013 233 N CA 1.363 54.509 53.050 0.160 0.000 0.863 233 N CB -0.557 37.971 38.487 0.069 0.000 0.990 233 N HN 0.373 nan 8.380 nan 0.000 0.430 234 P HA -0.102 nan 4.420 nan 0.000 0.217 234 P C 0.619 177.856 177.300 -0.104 0.000 1.151 234 P CA 1.029 64.075 63.100 -0.089 0.000 0.828 234 P CB -0.027 31.522 31.700 -0.253 0.000 0.788 235 Y N -2.297 118.042 120.300 0.066 0.000 2.224 235 Y HA -0.176 4.376 4.550 0.003 0.000 0.289 235 Y C 2.042 177.880 175.900 -0.103 0.000 1.146 235 Y CA 1.329 59.411 58.100 -0.030 0.000 1.182 235 Y CB -1.364 37.049 38.460 -0.077 0.000 0.983 235 Y HN 0.021 nan 8.280 nan 0.000 0.524 236 Y N -1.145 119.234 120.300 0.132 0.000 2.544 236 Y HA -0.021 4.530 4.550 0.002 0.000 0.286 236 Y C 1.887 177.813 175.900 0.044 0.000 1.141 236 Y CA 0.559 58.699 58.100 0.065 0.000 1.299 236 Y CB -0.227 38.259 38.460 0.044 0.000 1.030 236 Y HN 0.101 nan 8.280 nan 0.000 0.543 237 L N -0.710 120.601 121.223 0.146 0.000 2.307 237 L HA -0.059 4.282 4.340 0.002 0.000 0.211 237 L C 1.832 178.732 176.870 0.051 0.000 1.099 237 L CA 0.936 55.828 54.840 0.086 0.000 0.816 237 L CB -0.152 41.938 42.059 0.052 0.000 0.952 237 L HN 0.062 nan 8.230 nan 0.000 0.455 238 K N -0.499 119.919 120.400 0.030 0.000 2.361 238 K HA -0.041 4.281 4.320 0.002 0.000 0.196 238 K C 1.970 178.597 176.600 0.046 0.000 1.039 238 K CA 0.454 56.754 56.287 0.021 0.000 1.001 238 K CB 0.159 32.654 32.500 -0.008 0.000 0.795 238 K HN 0.087 nan 8.250 nan 0.000 0.495 239 V N 2.510 122.452 119.914 0.046 0.000 2.295 239 V HA -0.141 3.981 4.120 0.002 0.000 0.246 239 V C -1.184 174.975 176.094 0.109 0.000 1.049 239 V CA 1.673 64.017 62.300 0.073 0.000 1.024 239 V CB -0.618 31.202 31.823 -0.006 0.000 0.648 239 V HN 0.136 nan 8.190 nan 0.000 0.447 240 P HA -0.100 nan 4.420 nan 0.000 0.217 240 P C 1.590 178.940 177.300 0.085 0.000 1.148 240 P CA 1.929 65.083 63.100 0.091 0.000 0.828 240 P CB -0.507 31.241 31.700 0.081 0.000 0.783 241 G N -0.516 108.324 108.800 0.067 0.000 2.396 241 G HA2 -0.148 3.814 3.960 0.002 0.000 0.214 241 G HA3 -0.148 3.814 3.960 0.002 0.000 0.214 241 G C 1.377 176.299 174.900 0.038 0.000 1.166 241 G CA 0.224 45.350 45.100 0.044 0.000 0.793 241 G HN 0.121 nan 8.290 nan 0.000 0.533 242 I N 1.251 121.861 120.570 0.067 0.000 2.208 242 I HA -0.123 4.048 4.170 0.002 0.000 0.245 242 I C 2.883 179.084 176.117 0.139 0.000 1.097 242 I CA 0.751 62.104 61.300 0.089 0.000 1.363 242 I CB -1.273 36.822 38.000 0.158 0.000 1.051 242 I HN 0.017 nan 8.210 nan 0.000 0.413 243 V N 1.518 121.526 119.914 0.156 0.000 2.295 243 V HA -0.241 3.880 4.120 0.002 0.000 0.246 243 V C 2.875 179.034 176.094 0.109 0.000 1.049 243 V CA 1.903 64.294 62.300 0.152 0.000 1.024 243 V CB -1.069 30.866 31.823 0.187 0.000 0.648 243 V HN 0.472 nan 8.190 nan 0.000 0.447 244 A N -0.663 122.205 122.820 0.079 0.000 1.972 244 A HA -0.277 4.044 4.320 0.002 0.000 0.219 244 A C 2.277 179.872 177.584 0.018 0.000 1.169 244 A CA 1.995 54.068 52.037 0.060 0.000 0.635 244 A CB -0.496 18.535 19.000 0.052 0.000 0.810 244 A HN 0.661 nan 8.150 nan 0.000 0.446 245 E N -1.207 118.965 120.200 -0.047 0.000 2.051 245 E HA -0.216 4.135 4.350 0.002 0.000 0.192 245 E C 1.652 178.114 176.600 -0.229 0.000 0.991 245 E CA 1.467 57.753 56.400 -0.190 0.000 0.799 245 E CB -0.247 29.237 29.700 -0.361 0.000 0.748 245 E HN 0.779 nan 8.360 nan 0.000 0.449 246 Y N -0.173 120.124 120.300 -0.006 0.000 2.457 246 Y HA 0.003 4.554 4.550 0.003 0.000 0.292 246 Y C 2.352 178.261 175.900 0.014 0.000 1.125 246 Y CA 0.521 58.612 58.100 -0.015 0.000 1.254 246 Y CB 0.063 38.485 38.460 -0.064 0.000 1.012 246 Y HN 0.063 nan 8.280 nan 0.000 0.555 247 M N -0.430 119.266 119.600 0.159 0.000 2.159 247 M HA -0.270 4.212 4.480 0.002 0.000 0.263 247 M C 1.868 178.267 176.300 0.165 0.000 1.063 247 M CA 1.806 57.212 55.300 0.177 0.000 1.110 247 M CB -0.276 32.437 32.600 0.188 0.000 1.374 247 M HN 0.340 nan 8.290 nan 0.000 0.411 248 Q N 0.098 119.956 119.800 0.098 0.000 2.062 248 Q HA -0.091 4.250 4.340 0.002 0.000 0.196 248 Q C 1.962 177.995 176.000 0.055 0.000 0.967 248 Q CA 1.081 56.921 55.803 0.061 0.000 0.832 248 Q CB -0.035 28.716 28.738 0.020 0.000 0.899 248 Q HN 0.437 nan 8.270 nan 0.000 0.442 249 K N 0.156 120.580 120.400 0.040 0.000 2.152 249 K HA -0.127 4.194 4.320 0.002 0.000 0.206 249 K C 1.986 178.643 176.600 0.096 0.000 1.048 249 K CA 1.190 57.509 56.287 0.053 0.000 0.933 249 K CB -0.007 32.524 32.500 0.053 0.000 0.721 249 K HN 0.044 nan 8.250 nan 0.000 0.447 250 V N 0.910 120.902 119.914 0.130 0.000 2.488 250 V HA -0.135 3.986 4.120 0.002 0.000 0.246 250 V C 2.217 178.385 176.094 0.123 0.000 1.046 250 V CA 1.736 64.117 62.300 0.134 0.000 1.053 250 V CB -0.355 31.561 31.823 0.155 0.000 0.679 250 V HN 0.306 nan 8.190 nan 0.000 0.458 251 A N 0.741 123.634 122.820 0.122 0.000 2.070 251 A HA -0.163 4.159 4.320 0.002 0.000 0.220 251 A C 2.400 180.017 177.584 0.055 0.000 1.159 251 A CA 1.825 53.915 52.037 0.089 0.000 0.656 251 A CB -0.545 18.497 19.000 0.071 0.000 0.800 251 A HN 0.678 nan 8.150 nan 0.000 0.453 252 S N -1.009 114.722 115.700 0.053 0.000 2.561 252 S HA 0.169 4.640 4.470 0.002 0.000 0.225 252 S C 1.341 175.964 174.600 0.039 0.000 0.977 252 S CA 0.867 59.089 58.200 0.037 0.000 0.926 252 S CB -0.282 62.936 63.200 0.031 0.000 0.769 252 S HN 0.470 nan 8.310 nan 0.000 0.533 253 L N 0.799 122.053 121.223 0.052 0.000 2.642 253 L HA 0.225 4.567 4.340 0.002 0.000 0.233 253 L C 2.260 179.158 176.870 0.047 0.000 1.077 253 L CA 0.899 55.768 54.840 0.049 0.000 0.879 253 L CB 0.031 42.127 42.059 0.062 0.000 1.151 253 L HN 0.520 nan 8.230 nan 0.000 0.495 254 T N -4.972 109.614 114.554 0.054 0.000 2.975 254 T HA 0.253 4.605 4.350 0.002 0.000 0.257 254 T C 1.492 176.209 174.700 0.030 0.000 1.003 254 T CA 0.602 62.728 62.100 0.044 0.000 0.932 254 T CB 0.965 69.873 68.868 0.067 0.000 1.087 254 T HN 0.292 nan 8.240 nan 0.000 0.512 255 G N 2.277 111.093 108.800 0.026 0.000 2.189 255 G HA2 -0.290 3.672 3.960 0.002 0.000 0.267 255 G HA3 -0.290 3.672 3.960 0.002 0.000 0.267 255 G C 0.185 175.072 174.900 -0.022 0.000 0.975 255 G CA 0.091 45.195 45.100 0.006 0.000 0.644 255 G HN 0.658 nan 8.290 nan 0.000 0.537 256 R N 1.090 121.577 120.500 -0.022 0.000 2.280 256 R HA 0.482 4.824 4.340 0.002 0.000 0.326 256 R C -0.112 176.029 176.300 -0.265 0.000 1.080 256 R CA -0.186 55.835 56.100 -0.131 0.000 1.002 256 R CB 1.033 31.311 30.300 -0.036 0.000 1.136 256 R HN 0.187 nan 8.270 nan 0.000 0.509 257 S N 2.123 117.641 115.700 -0.305 0.000 2.584 257 S HA 0.414 4.886 4.470 0.002 0.000 0.273 257 S C -0.735 173.568 174.600 -0.494 0.000 1.311 257 S CA -0.105 57.950 58.200 -0.240 0.000 1.034 257 S CB 0.522 63.664 63.200 -0.097 0.000 0.939 257 S HN 0.326 nan 8.310 nan 0.000 0.513 258 Y N 0.426 120.759 120.300 0.055 0.000 2.609 258 Y HA 0.577 5.128 4.550 0.002 0.000 0.342 258 Y C 0.068 176.004 175.900 0.059 0.000 1.058 258 Y CA -1.046 57.090 58.100 0.059 0.000 1.055 258 Y CB 1.719 40.213 38.460 0.056 0.000 1.292 258 Y HN 0.425 nan 8.280 nan 0.000 0.476 259 K N 0.486 121.032 120.400 0.244 0.000 2.482 259 K HA 0.344 4.665 4.320 0.002 0.000 0.257 259 K C -0.277 176.396 176.600 0.121 0.000 0.969 259 K CA -0.815 55.572 56.287 0.166 0.000 0.842 259 K CB 2.220 34.816 32.500 0.160 0.000 1.359 259 K HN 0.351 nan 8.250 nan 0.000 0.441 260 L N 0.905 122.172 121.223 0.072 0.000 2.051 260 L HA -0.087 4.254 4.340 0.002 0.000 0.214 260 L C 0.171 176.838 176.870 -0.338 0.000 1.076 260 L CA 1.850 56.627 54.840 -0.105 0.000 0.758 260 L CB -0.394 41.642 42.059 -0.038 0.000 0.890 260 L HN 0.424 nan 8.230 nan 0.000 0.433 261 F N -1.355 118.661 119.950 0.109 0.000 2.557 261 F HA 0.382 4.910 4.527 0.003 0.000 0.316 261 F C -0.280 175.599 175.800 0.132 0.000 1.141 261 F CA -1.286 56.792 58.000 0.130 0.000 0.922 261 F CB 1.523 40.587 39.000 0.106 0.000 1.194 261 F HN -0.256 nan 8.300 nan 0.000 0.443 262 D N 2.294 122.882 120.400 0.313 0.000 2.502 262 D HA 0.161 4.802 4.640 0.002 0.000 0.249 262 D C -1.378 175.071 176.300 0.249 0.000 1.092 262 D CA -0.313 53.834 54.000 0.244 0.000 0.839 262 D CB 2.301 43.217 40.800 0.194 0.000 1.264 262 D HN 0.464 nan 8.370 nan 0.000 0.511 263 Y N 1.927 122.294 120.300 0.111 0.000 2.334 263 Y HA 0.504 5.056 4.550 0.003 0.000 0.328 263 Y C -0.991 174.959 175.900 0.084 0.000 1.130 263 Y CA -0.272 57.883 58.100 0.091 0.000 1.163 263 Y CB 1.021 39.511 38.460 0.050 0.000 1.207 263 Y HN 0.105 nan 8.280 nan 0.000 0.471 264 V N 4.988 124.400 119.914 -0.837 0.000 2.841 264 V HA 0.888 5.009 4.120 0.002 0.000 0.310 264 V C 0.050 175.687 176.094 -0.762 0.000 1.090 264 V CA -0.098 61.881 62.300 -0.535 0.000 0.930 264 V CB 1.199 32.897 31.823 -0.209 0.000 1.014 264 V HN 1.238 nan 8.190 nan 0.000 0.425 265 G N 2.573 111.199 108.800 -0.290 0.000 2.331 265 G HA2 0.458 4.419 3.960 0.002 0.000 0.479 265 G HA3 0.458 4.419 3.960 0.002 0.000 0.479 265 G C -0.302 174.669 174.900 0.119 0.000 1.262 265 G CA -0.095 44.941 45.100 -0.106 0.000 1.029 265 G HN 1.663 nan 8.290 nan 0.000 0.487 266 A N 1.210 124.114 122.820 0.140 0.000 2.492 266 A HA 0.635 4.956 4.320 0.002 0.000 0.254 266 A C -0.140 177.584 177.584 0.233 0.000 1.091 266 A CA -0.004 52.123 52.037 0.150 0.000 0.768 266 A CB 0.264 19.314 19.000 0.085 0.000 1.028 266 A HN 0.652 nan 8.150 nan 0.000 0.498 267 P HA -0.133 nan 4.420 nan 0.000 0.223 267 P C 0.133 177.445 177.300 0.020 0.000 1.144 267 P CA 1.313 64.461 63.100 0.080 0.000 0.783 267 P CB 0.119 31.851 31.700 0.053 0.000 0.771 268 D N -1.092 119.339 120.400 0.051 0.000 2.670 268 D HA 0.255 4.897 4.640 0.002 0.000 0.255 268 D C 0.159 176.492 176.300 0.055 0.000 1.286 268 D CA -0.713 53.307 54.000 0.034 0.000 0.830 268 D CB -0.070 40.747 40.800 0.028 0.000 1.065 268 D HN -0.045 nan 8.370 nan 0.000 0.486 269 A N 0.543 123.418 122.820 0.092 0.000 2.445 269 A HA 0.197 4.518 4.320 0.002 0.000 0.242 269 A C 0.892 178.536 177.584 0.099 0.000 1.075 269 A CA -0.177 51.929 52.037 0.115 0.000 0.777 269 A CB 0.604 19.730 19.000 0.210 0.000 1.013 269 A HN 0.226 nan 8.150 nan 0.000 0.493 270 E N 0.486 120.741 120.200 0.093 0.000 2.413 270 E HA 0.051 4.403 4.350 0.002 0.000 0.203 270 E C -0.074 176.598 176.600 0.121 0.000 0.957 270 E CA 0.339 56.792 56.400 0.089 0.000 0.950 270 E CB 0.376 30.115 29.700 0.065 0.000 0.957 270 E HN 0.645 nan 8.360 nan 0.000 0.497 271 R N 1.104 121.696 120.500 0.154 0.000 2.439 271 R HA 0.488 4.830 4.340 0.002 0.000 0.310 271 R C -1.162 175.331 176.300 0.321 0.000 0.955 271 R CA -0.415 55.819 56.100 0.223 0.000 0.853 271 R CB 2.383 32.834 30.300 0.253 0.000 1.171 271 R HN -0.151 nan 8.270 nan 0.000 0.449 272 V N 4.200 124.299 119.914 0.309 0.000 3.040 272 V HA 0.570 4.692 4.120 0.002 0.000 0.312 272 V C -0.173 176.084 176.094 0.271 0.000 1.115 272 V CA -0.885 61.624 62.300 0.348 0.000 0.998 272 V CB 2.642 34.670 31.823 0.341 0.000 1.042 272 V HN 0.614 nan 8.190 nan 0.000 0.433 273 I N 1.731 122.450 120.570 0.247 0.000 2.530 273 I HA 0.541 4.713 4.170 0.002 0.000 0.297 273 I C -0.984 175.275 176.117 0.236 0.000 1.011 273 I CA -0.930 60.466 61.300 0.160 0.000 1.107 273 I CB 2.320 40.337 38.000 0.028 0.000 1.285 273 I HN 0.253 nan 8.210 nan 0.000 0.436 274 V N 4.546 124.617 119.914 0.262 0.000 2.305 274 V HA 0.308 4.430 4.120 0.002 0.000 0.275 274 V C -0.080 176.201 176.094 0.312 0.000 1.020 274 V CA -0.142 62.367 62.300 0.349 0.000 0.811 274 V CB 0.997 33.091 31.823 0.452 0.000 1.031 274 V HN 0.799 nan 8.190 nan 0.000 0.439 275 S N 4.476 120.349 115.700 0.288 0.000 2.783 275 S HA 0.922 5.393 4.470 0.002 0.000 0.312 275 S C -0.724 174.072 174.600 0.327 0.000 1.125 275 S CA -0.688 57.675 58.200 0.271 0.000 0.954 275 S CB 1.886 65.186 63.200 0.168 0.000 1.203 275 S HN 0.683 nan 8.310 nan 0.000 0.546 276 M N 1.362 121.177 119.600 0.357 0.000 2.322 276 M HA 0.578 5.060 4.480 0.002 0.000 0.285 276 M C -0.499 176.073 176.300 0.453 0.000 1.119 276 M CA 0.549 56.068 55.300 0.365 0.000 0.953 276 M CB 1.183 33.990 32.600 0.346 0.000 1.701 276 M HN 1.141 nan 8.290 nan 0.000 0.479 277 G N 1.822 110.831 108.800 0.348 0.000 2.466 277 G HA2 -0.187 3.775 3.960 0.002 0.000 0.316 277 G HA3 -0.187 3.775 3.960 0.002 0.000 0.316 277 G C 0.177 175.255 174.900 0.297 0.000 1.270 277 G CA 0.042 45.365 45.100 0.371 0.000 0.982 277 G HN 1.384 nan 8.290 nan 0.000 0.506 278 S N -0.536 115.340 115.700 0.292 0.000 2.465 278 S HA -0.097 4.374 4.470 0.002 0.000 0.241 278 S C 2.593 177.353 174.600 0.266 0.000 1.000 278 S CA 2.388 60.739 58.200 0.252 0.000 0.964 278 S CB -0.593 62.753 63.200 0.243 0.000 0.763 278 S HN 2.265 nan 8.310 nan 0.000 0.512 279 S N 1.090 116.980 115.700 0.316 0.000 2.400 279 S HA -0.158 4.314 4.470 0.002 0.000 0.232 279 S C 1.992 176.775 174.600 0.304 0.000 1.025 279 S CA 1.001 59.430 58.200 0.382 0.000 0.993 279 S CB -1.512 61.843 63.200 0.258 0.000 0.808 279 S HN 0.687 nan 8.310 nan 0.000 0.478 280 C N 2.066 121.513 119.300 0.245 0.000 2.413 280 C HA -0.053 4.409 4.460 0.002 0.000 0.276 280 C C 3.001 178.091 174.990 0.168 0.000 1.236 280 C CA 0.914 60.052 59.018 0.200 0.000 1.735 280 C CB -1.284 26.571 27.740 0.192 0.000 2.031 280 C HN 0.596 nan 8.230 nan 0.000 0.474 281 E N 0.610 120.909 120.200 0.165 0.000 2.048 281 E HA -0.219 4.132 4.350 0.002 0.000 0.202 281 E C 2.151 178.830 176.600 0.132 0.000 1.021 281 E CA 2.152 58.630 56.400 0.129 0.000 0.825 281 E CB -1.035 28.736 29.700 0.118 0.000 0.756 281 E HN 0.606 nan 8.360 nan 0.000 0.454 282 T N 1.843 116.499 114.554 0.169 0.000 2.720 282 T HA -0.129 4.222 4.350 0.002 0.000 0.268 282 T C 2.145 176.904 174.700 0.099 0.000 1.037 282 T CA 1.225 63.434 62.100 0.181 0.000 1.144 282 T CB -0.298 68.691 68.868 0.202 0.000 0.864 282 T HN 0.128 nan 8.240 nan 0.000 0.444 283 I N 0.853 121.482 120.570 0.098 0.000 2.163 283 I HA -0.205 3.967 4.170 0.002 0.000 0.243 283 I C 2.714 178.905 176.117 0.123 0.000 1.085 283 I CA 1.588 62.948 61.300 0.100 0.000 1.347 283 I CB -0.406 37.681 38.000 0.146 0.000 1.044 283 I HN 0.330 nan 8.210 nan 0.000 0.408 284 E N 0.859 121.123 120.200 0.106 0.000 2.204 284 E HA -0.268 4.084 4.350 0.002 0.000 0.194 284 E C 2.076 178.719 176.600 0.072 0.000 0.989 284 E CA 0.985 57.430 56.400 0.074 0.000 0.824 284 E CB 0.059 29.792 29.700 0.054 0.000 0.756 284 E HN 0.456 nan 8.360 nan 0.000 0.477 285 E N -0.211 120.043 120.200 0.089 0.000 2.047 285 E HA -0.162 4.190 4.350 0.002 0.000 0.191 285 E C 2.073 178.737 176.600 0.107 0.000 0.987 285 E CA 1.253 57.710 56.400 0.094 0.000 0.799 285 E CB 0.165 29.945 29.700 0.132 0.000 0.752 285 E HN 0.149 nan 8.360 nan 0.000 0.449 286 V N 1.024 121.007 119.914 0.114 0.000 2.343 286 V HA -0.274 3.848 4.120 0.002 0.000 0.247 286 V C 2.317 178.491 176.094 0.133 0.000 1.051 286 V CA 1.451 63.839 62.300 0.147 0.000 1.036 286 V CB -0.391 31.521 31.823 0.148 0.000 0.654 286 V HN 0.288 nan 8.190 nan 0.000 0.451 287 I N 0.728 121.349 120.570 0.086 0.000 2.151 287 I HA -0.281 3.890 4.170 0.002 0.000 0.243 287 I C 2.152 178.284 176.117 0.026 0.000 1.080 287 I CA 1.875 63.181 61.300 0.009 0.000 1.339 287 I CB -0.908 37.094 38.000 0.003 0.000 1.039 287 I HN 0.391 nan 8.210 nan 0.000 0.409 288 N N -1.184 117.545 118.700 0.049 0.000 2.094 288 N HA -0.285 4.456 4.740 0.002 0.000 0.191 288 N C 2.054 177.597 175.510 0.056 0.000 1.023 288 N CA 1.218 54.291 53.050 0.040 0.000 0.857 288 N CB -0.273 38.239 38.487 0.040 0.000 1.013 288 N HN 0.483 nan 8.380 nan 0.000 0.426 289 H N 1.008 120.083 119.070 0.007 0.000 2.307 289 H HA 0.002 4.559 4.556 0.002 0.000 0.303 289 H C 1.999 177.336 175.328 0.016 0.000 1.073 289 H CA 1.103 57.156 56.048 0.008 0.000 1.338 289 H CB -0.032 29.735 29.762 0.009 0.000 1.389 289 H HN 0.069 nan 8.280 nan 0.000 0.503 290 L N 1.073 122.442 121.223 0.243 0.000 2.083 290 L HA -0.070 4.272 4.340 0.002 0.000 0.209 290 L C 3.017 179.888 176.870 0.001 0.000 1.083 290 L CA 1.554 56.472 54.840 0.130 0.000 0.752 290 L CB -1.023 41.051 42.059 0.024 0.000 0.899 290 L HN 0.317 nan 8.230 nan 0.000 0.433 291 A N -0.589 122.219 122.820 -0.021 0.000 1.933 291 A HA -0.124 4.198 4.320 0.002 0.000 0.218 291 A C 2.482 180.041 177.584 -0.041 0.000 1.175 291 A CA 1.526 53.543 52.037 -0.033 0.000 0.628 291 A CB -0.839 18.146 19.000 -0.024 0.000 0.814 291 A HN 0.367 nan 8.150 nan 0.000 0.444 292 A N -0.542 122.238 122.820 -0.067 0.000 2.070 292 A HA -0.112 4.210 4.320 0.002 0.000 0.220 292 A C 1.852 179.379 177.584 -0.095 0.000 1.159 292 A CA 1.598 53.577 52.037 -0.098 0.000 0.656 292 A CB -0.293 18.605 19.000 -0.170 0.000 0.800 292 A HN 0.489 nan 8.150 nan 0.000 0.453 293 K N -1.273 119.077 120.400 -0.082 0.000 2.500 293 K HA 0.283 4.605 4.320 0.002 0.000 0.206 293 K C 0.816 177.402 176.600 -0.023 0.000 1.034 293 K CA 0.369 56.626 56.287 -0.049 0.000 1.179 293 K CB -0.038 32.449 32.500 -0.021 0.000 0.884 293 K HN 0.578 nan 8.250 nan 0.000 0.493 294 G N 1.699 110.484 108.800 -0.025 0.000 2.143 294 G HA2 -0.278 3.683 3.960 0.002 0.000 0.248 294 G HA3 -0.278 3.683 3.960 0.002 0.000 0.248 294 G C -0.314 174.577 174.900 -0.015 0.000 0.991 294 G CA 0.002 45.093 45.100 -0.015 0.000 0.689 294 G HN 0.413 nan 8.290 nan 0.000 0.522 295 E N 0.293 120.478 120.200 -0.025 0.000 2.331 295 E HA 0.338 4.690 4.350 0.002 0.000 0.272 295 E C 0.046 176.620 176.600 -0.043 0.000 1.036 295 E CA -0.496 55.880 56.400 -0.039 0.000 0.864 295 E CB 0.570 30.229 29.700 -0.069 0.000 1.035 295 E HN -0.023 nan 8.360 nan 0.000 0.408 296 K N 3.972 124.356 120.400 -0.028 0.000 2.265 296 K HA 0.290 4.612 4.320 0.002 0.000 0.242 296 K C 0.002 176.601 176.600 -0.003 0.000 1.137 296 K CA -0.046 56.241 56.287 -0.000 0.000 1.082 296 K CB -0.763 31.751 32.500 0.023 0.000 1.731 296 K HN 0.473 nan 8.250 nan 0.000 0.392 297 I N -3.055 117.485 120.570 -0.051 0.000 3.206 297 I HA 0.896 5.068 4.170 0.002 0.000 0.313 297 I C 0.034 176.177 176.117 0.043 0.000 1.103 297 I CA -1.176 60.080 61.300 -0.073 0.000 0.985 297 I CB 2.601 40.282 38.000 -0.532 0.000 1.240 297 I HN 0.251 nan 8.210 nan 0.000 0.464 298 G N 1.531 110.424 108.800 0.156 0.000 2.608 298 G HA2 0.617 4.578 3.960 0.002 0.000 0.291 298 G HA3 0.617 4.578 3.960 0.002 0.000 0.291 298 G C -2.350 172.625 174.900 0.125 0.000 1.425 298 G CA -0.669 44.480 45.100 0.082 0.000 0.787 298 G HN 0.786 nan 8.290 nan 0.000 0.484 299 L N -0.515 120.613 121.223 -0.157 0.000 2.472 299 L HA 0.792 5.134 4.340 0.002 0.000 0.260 299 L C -1.451 175.425 176.870 0.010 0.000 0.963 299 L CA -0.724 54.136 54.840 0.032 0.000 0.829 299 L CB 1.983 44.086 42.059 0.072 0.000 1.348 299 L HN 0.505 nan 8.230 nan 0.000 0.408 300 I N 4.419 125.114 120.570 0.209 0.000 2.359 300 I HA 0.360 4.531 4.170 0.002 0.000 0.284 300 I C -0.362 175.952 176.117 0.328 0.000 1.018 300 I CA -0.638 60.836 61.300 0.290 0.000 1.173 300 I CB 1.141 39.334 38.000 0.322 0.000 1.326 300 I HN 0.547 nan 8.210 nan 0.000 0.462 301 K N 5.241 125.812 120.400 0.284 0.000 2.297 301 K HA 0.331 4.652 4.320 0.002 0.000 0.286 301 K C -0.437 176.356 176.600 0.321 0.000 1.053 301 K CA -0.406 56.047 56.287 0.276 0.000 0.940 301 K CB 2.296 34.923 32.500 0.211 0.000 1.019 301 K HN 0.322 nan 8.250 nan 0.000 0.475 302 V N 5.160 125.260 119.914 0.309 0.000 2.318 302 V HA 0.163 4.285 4.120 0.002 0.000 0.271 302 V C 0.418 176.521 176.094 0.015 0.000 1.030 302 V CA -0.312 62.087 62.300 0.164 0.000 0.844 302 V CB 0.728 32.795 31.823 0.407 0.000 1.015 302 V HN 0.700 nan 8.190 nan 0.000 0.460 303 R N 4.642 125.074 120.500 -0.114 0.000 2.062 303 R HA 0.267 4.608 4.340 0.002 0.000 0.226 303 R C 0.350 176.591 176.300 -0.097 0.000 1.125 303 R CA 0.829 56.881 56.100 -0.080 0.000 0.966 303 R CB -0.222 30.048 30.300 -0.050 0.000 0.861 303 R HN 0.596 nan 8.270 nan 0.000 0.433 304 L N 0.794 121.895 121.223 -0.203 0.000 2.277 304 L HA 0.211 4.552 4.340 0.002 0.000 0.284 304 L C 0.000 176.847 176.870 -0.039 0.000 1.028 304 L CA -0.427 54.357 54.840 -0.095 0.000 0.835 304 L CB 1.020 43.020 42.059 -0.097 0.000 1.215 304 L HN 0.134 nan 8.230 nan 0.000 0.425 305 Y N 4.838 125.182 120.300 0.072 0.000 2.448 305 Y HA 0.353 4.905 4.550 0.002 0.000 0.289 305 Y C 0.265 176.353 175.900 0.313 0.000 1.114 305 Y CA 0.443 58.707 58.100 0.274 0.000 1.235 305 Y CB 0.369 39.021 38.460 0.320 0.000 1.045 305 Y HN 0.418 nan 8.280 nan 0.000 0.554 306 R N 0.561 121.111 120.500 0.082 0.000 2.510 306 R HA 0.326 4.667 4.340 0.002 0.000 0.287 306 R C -3.082 173.210 176.300 -0.012 0.000 1.084 306 R CA -2.253 53.840 56.100 -0.011 0.000 0.934 306 R CB 1.506 31.798 30.300 -0.013 0.000 1.201 306 R HN -0.011 nan 8.270 nan 0.000 0.431 307 P HA 0.120 nan 4.420 nan 0.000 0.272 307 P C -0.600 176.766 177.300 0.110 0.000 1.223 307 P CA -0.232 62.915 63.100 0.078 0.000 0.784 307 P CB 0.391 32.161 31.700 0.117 0.000 0.923 308 F N 3.309 123.245 119.950 -0.023 0.000 2.368 308 F HA 0.238 4.767 4.527 0.002 0.000 0.362 308 F C -0.330 175.548 175.800 0.131 0.000 1.137 308 F CA -0.386 57.649 58.000 0.058 0.000 1.161 308 F CB 0.266 39.231 39.000 -0.059 0.000 1.265 308 F HN -0.068 nan 8.300 nan 0.000 0.530 309 V N 6.828 126.738 119.914 -0.007 0.000 2.322 309 V HA 0.024 4.145 4.120 0.002 0.000 0.258 309 V C 1.057 177.133 176.094 -0.031 0.000 1.074 309 V CA 0.193 62.526 62.300 0.054 0.000 0.909 309 V CB 0.319 32.210 31.823 0.114 0.000 1.090 309 V HN 0.938 nan 8.190 nan 0.000 0.486 310 S N 3.038 118.760 115.700 0.035 0.000 2.392 310 S HA -0.288 4.184 4.470 0.002 0.000 0.232 310 S C 1.887 176.611 174.600 0.206 0.000 1.041 310 S CA 2.126 60.383 58.200 0.096 0.000 1.026 310 S CB -0.088 63.252 63.200 0.233 0.000 0.845 310 S HN 0.926 nan 8.310 nan 0.000 0.465 311 E N 1.370 121.671 120.200 0.168 0.000 2.031 311 E HA -0.172 4.180 4.350 0.002 0.000 0.193 311 E C 2.216 178.894 176.600 0.131 0.000 0.994 311 E CA 1.100 57.598 56.400 0.164 0.000 0.800 311 E CB -0.372 29.389 29.700 0.101 0.000 0.752 311 E HN 0.469 nan 8.360 nan 0.000 0.447 312 A N 0.583 123.479 122.820 0.128 0.000 1.948 312 A HA -0.207 4.114 4.320 0.002 0.000 0.220 312 A C 2.048 179.661 177.584 0.049 0.000 1.177 312 A CA 1.570 53.723 52.037 0.193 0.000 0.636 312 A CB -1.013 18.220 19.000 0.389 0.000 0.815 312 A HN 0.559 nan 8.150 nan 0.000 0.449 313 F N -0.241 119.376 119.950 -0.556 0.000 2.046 313 F HA -0.182 4.346 4.527 0.002 0.000 0.297 313 F C 1.928 177.400 175.800 -0.547 0.000 1.123 313 F CA 1.921 59.237 58.000 -1.140 0.000 1.199 313 F CB -0.682 37.468 39.000 -1.415 0.000 0.972 313 F HN 0.212 nan 8.300 nan 0.000 0.474 314 F N 0.557 120.276 119.950 -0.385 0.000 2.269 314 F HA -0.118 4.410 4.527 0.003 0.000 0.301 314 F C 2.524 178.152 175.800 -0.285 0.000 1.082 314 F CA 0.917 58.684 58.000 -0.388 0.000 1.360 314 F CB -1.064 37.823 39.000 -0.188 0.000 1.041 314 F HN 0.118 nan 8.300 nan 0.000 0.512 315 A N -0.209 122.595 122.820 -0.026 0.000 2.076 315 A HA -0.029 4.292 4.320 0.002 0.000 0.220 315 A C 2.182 179.728 177.584 -0.063 0.000 1.160 315 A CA 1.667 53.696 52.037 -0.012 0.000 0.653 315 A CB -0.848 18.175 19.000 0.038 0.000 0.801 315 A HN 0.302 nan 8.150 nan 0.000 0.455 316 A N -1.530 121.201 122.820 -0.147 0.000 2.303 316 A HA 0.493 4.814 4.320 0.002 0.000 0.217 316 A C 0.692 178.107 177.584 -0.282 0.000 1.205 316 A CA -0.261 51.708 52.037 -0.113 0.000 0.875 316 A CB -0.049 18.976 19.000 0.042 0.000 0.910 316 A HN 0.396 nan 8.150 nan 0.000 0.501 317 L N 2.227 123.232 121.223 -0.363 0.000 2.283 317 L HA 0.304 4.646 4.340 0.002 0.000 0.287 317 L C -2.543 174.189 176.870 -0.230 0.000 1.073 317 L CA -2.106 52.545 54.840 -0.316 0.000 0.822 317 L CB 1.315 43.177 42.059 -0.327 0.000 1.186 317 L HN 0.055 nan 8.230 nan 0.000 0.436 318 P HA 0.067 nan 4.420 nan 0.000 0.271 318 P C 0.273 177.531 177.300 -0.070 0.000 1.226 318 P CA -0.100 62.852 63.100 -0.247 0.000 0.765 318 P CB 1.309 32.827 31.700 -0.303 0.000 0.835 319 A N 3.425 126.219 122.820 -0.043 0.000 1.986 319 A HA -0.225 4.097 4.320 0.002 0.000 0.220 319 A C 2.119 179.720 177.584 0.028 0.000 1.171 319 A CA 2.308 54.351 52.037 0.010 0.000 0.640 319 A CB -1.529 17.471 19.000 -0.000 0.000 0.811 319 A HN 0.599 nan 8.150 nan 0.000 0.451 320 S N 0.306 116.014 115.700 0.012 0.000 2.419 320 S HA 0.199 4.670 4.470 0.002 0.000 0.233 320 S C 1.186 175.819 174.600 0.055 0.000 1.016 320 S CA 0.460 58.678 58.200 0.031 0.000 0.974 320 S CB -1.014 62.202 63.200 0.025 0.000 0.786 320 S HN 1.242 nan 8.310 nan 0.000 0.492 321 A N 1.832 124.692 122.820 0.067 0.000 2.573 321 A HA 0.162 4.484 4.320 0.002 0.000 0.250 321 A C 1.048 178.691 177.584 0.100 0.000 1.049 321 A CA 0.179 52.277 52.037 0.102 0.000 0.767 321 A CB -0.011 19.067 19.000 0.130 0.000 0.965 321 A HN 0.603 nan 8.150 nan 0.000 0.514 322 K N 1.453 121.907 120.400 0.089 0.000 2.399 322 K HA 0.295 4.617 4.320 0.002 0.000 0.196 322 K C -0.599 176.037 176.600 0.061 0.000 1.117 322 K CA 0.363 56.691 56.287 0.069 0.000 0.965 322 K CB 0.873 33.407 32.500 0.057 0.000 0.983 322 K HN 0.477 nan 8.250 nan 0.000 0.531 323 V N 2.092 122.055 119.914 0.081 0.000 2.733 323 V HA 0.387 4.508 4.120 0.002 0.000 0.306 323 V C -1.536 174.625 176.094 0.112 0.000 1.084 323 V CA -1.041 61.305 62.300 0.077 0.000 0.905 323 V CB 2.054 33.925 31.823 0.079 0.000 1.010 323 V HN 0.072 nan 8.190 nan 0.000 0.424 324 I N 3.475 124.104 120.570 0.099 0.000 2.534 324 I HA 0.715 4.886 4.170 0.002 0.000 0.288 324 I C -0.449 175.760 176.117 0.154 0.000 1.077 324 I CA 0.092 61.481 61.300 0.149 0.000 1.051 324 I CB 2.227 40.337 38.000 0.184 0.000 1.234 324 I HN 0.693 nan 8.210 nan 0.000 0.425 325 T N 6.822 121.477 114.554 0.170 0.000 2.779 325 T HA 0.680 5.031 4.350 0.002 0.000 0.280 325 T C -1.000 173.811 174.700 0.185 0.000 0.987 325 T CA -0.397 61.811 62.100 0.181 0.000 0.966 325 T CB 0.646 69.641 68.868 0.213 0.000 0.933 325 T HN 0.416 nan 8.240 nan 0.000 0.442 326 V N 6.421 126.453 119.914 0.197 0.000 2.439 326 V HA 0.491 4.613 4.120 0.002 0.000 0.282 326 V C -0.427 175.739 176.094 0.120 0.000 1.039 326 V CA -0.811 61.619 62.300 0.218 0.000 0.913 326 V CB 1.230 33.245 31.823 0.321 0.000 0.983 326 V HN 0.706 nan 8.190 nan 0.000 0.460 327 L N 4.788 126.102 121.223 0.153 0.000 2.307 327 L HA 0.578 4.920 4.340 0.002 0.000 0.284 327 L C -0.099 176.954 176.870 0.304 0.000 1.023 327 L CA 0.025 54.960 54.840 0.157 0.000 0.810 327 L CB 1.464 43.522 42.059 -0.003 0.000 1.231 327 L HN 0.589 nan 8.230 nan 0.000 0.423 328 D N 2.530 123.071 120.400 0.235 0.000 2.505 328 D HA 0.266 4.908 4.640 0.002 0.000 0.249 328 D C -0.191 176.053 176.300 -0.092 0.000 1.082 328 D CA -0.474 53.627 54.000 0.168 0.000 0.839 328 D CB 2.220 43.056 40.800 0.060 0.000 1.317 328 D HN 0.317 nan 8.370 nan 0.000 0.497 329 R N 1.793 122.158 120.500 -0.225 0.000 3.956 329 R HA 0.254 4.595 4.340 0.002 0.000 0.237 329 R C -0.416 175.713 176.300 -0.284 0.000 1.552 329 R CA 0.105 55.789 56.100 -0.695 0.000 1.529 329 R CB 0.050 29.696 30.300 -1.090 0.000 1.376 329 R HN 0.406 nan 8.270 nan 0.000 0.733 330 T N -0.436 114.030 114.554 -0.145 0.000 2.654 330 T HA 0.222 4.574 4.350 0.002 0.000 0.303 330 T C -2.122 172.536 174.700 -0.070 0.000 1.656 330 T CA -0.807 61.273 62.100 -0.032 0.000 0.971 330 T CB 1.141 70.130 68.868 0.201 0.000 1.811 330 T HN 0.274 nan 8.240 nan 0.000 0.483 331 K N 1.857 122.226 120.400 -0.052 0.000 2.616 331 K HA 0.326 4.647 4.320 0.002 0.000 0.255 331 K C -1.514 175.048 176.600 -0.063 0.000 0.995 331 K CA -0.386 55.854 56.287 -0.078 0.000 0.860 331 K CB 1.251 33.705 32.500 -0.077 0.000 1.264 331 K HN 0.650 nan 8.250 nan 0.000 0.451 332 E N 5.115 125.264 120.200 -0.085 0.000 2.103 332 E HA 0.233 4.585 4.350 0.002 0.000 0.254 332 E C -2.481 174.076 176.600 -0.071 0.000 0.940 332 E CA -2.010 54.348 56.400 -0.071 0.000 0.771 332 E CB 1.154 30.802 29.700 -0.087 0.000 1.153 332 E HN 0.341 nan 8.360 nan 0.000 0.428 333 P HA -0.111 nan 4.420 nan 0.000 0.263 333 P C 1.006 178.278 177.300 -0.047 0.000 1.175 333 P CA 1.072 64.143 63.100 -0.049 0.000 0.761 333 P CB 0.521 32.203 31.700 -0.030 0.000 0.794 334 G N 1.823 110.593 108.800 -0.050 0.000 2.284 334 G HA2 -0.291 3.670 3.960 0.002 0.000 0.261 334 G HA3 -0.291 3.670 3.960 0.002 0.000 0.261 334 G C 0.559 175.430 174.900 -0.049 0.000 0.997 334 G CA 0.171 45.246 45.100 -0.041 0.000 0.621 334 G HN 0.891 nan 8.290 nan 0.000 0.534 335 A N 1.239 124.021 122.820 -0.064 0.000 2.483 335 A HA 0.569 4.891 4.320 0.002 0.000 0.238 335 A C 0.240 177.779 177.584 -0.075 0.000 1.070 335 A CA 0.159 52.157 52.037 -0.065 0.000 0.770 335 A CB 0.351 19.303 19.000 -0.079 0.000 1.008 335 A HN 0.288 nan 8.150 nan 0.000 0.497 336 P HA 0.096 nan 4.420 nan 0.000 0.230 336 P C 0.588 177.877 177.300 -0.018 0.000 1.158 336 P CA 1.503 64.600 63.100 -0.005 0.000 0.769 336 P CB 0.142 31.865 31.700 0.038 0.000 0.807 337 G N -0.941 107.834 108.800 -0.041 0.000 2.356 337 G HA2 0.202 4.163 3.960 0.002 0.000 0.294 337 G HA3 0.202 4.163 3.960 0.002 0.000 0.294 337 G C -2.068 172.813 174.900 -0.032 0.000 1.423 337 G CA -0.631 44.454 45.100 -0.025 0.000 0.806 337 G HN -0.178 nan 8.290 nan 0.000 0.527 338 D N 0.380 120.750 120.400 -0.049 0.000 2.340 338 D HA 0.366 5.007 4.640 0.002 0.000 0.251 338 D C -1.391 174.844 176.300 -0.108 0.000 1.080 338 D CA -1.180 52.748 54.000 -0.121 0.000 0.971 338 D CB 1.935 42.642 40.800 -0.155 0.000 1.137 338 D HN -0.050 nan 8.370 nan 0.000 0.475 339 P HA -0.226 nan 4.420 nan 0.000 0.210 339 P C 1.643 178.880 177.300 -0.105 0.000 1.151 339 P CA 0.868 63.758 63.100 -0.349 0.000 0.949 339 P CB 0.075 31.169 31.700 -1.010 0.000 0.786 340 L N -1.970 119.230 121.223 -0.038 0.000 2.051 340 L HA -0.232 4.110 4.340 0.002 0.000 0.214 340 L C 2.435 179.362 176.870 0.095 0.000 1.076 340 L CA 1.865 56.813 54.840 0.179 0.000 0.758 340 L CB -1.716 40.502 42.059 0.266 0.000 0.890 340 L HN -0.009 nan 8.230 nan 0.000 0.433 341 Y N -0.675 119.609 120.300 -0.027 0.000 2.070 341 Y HA -0.299 4.253 4.550 0.002 0.000 0.280 341 Y C 2.299 178.159 175.900 -0.066 0.000 1.148 341 Y CA 2.071 60.155 58.100 -0.027 0.000 1.125 341 Y CB -0.701 37.737 38.460 -0.037 0.000 0.975 341 Y HN 0.177 nan 8.280 nan 0.000 0.492 342 L N 0.910 122.017 121.223 -0.193 0.000 2.021 342 L HA -0.297 4.044 4.340 0.002 0.000 0.215 342 L C 2.213 178.885 176.870 -0.329 0.000 1.074 342 L CA 2.276 56.937 54.840 -0.299 0.000 0.760 342 L CB -1.127 40.841 42.059 -0.151 0.000 0.889 342 L HN 0.307 nan 8.230 nan 0.000 0.433 343 D N -1.039 119.140 120.400 -0.368 0.000 2.144 343 D HA -0.136 4.506 4.640 0.002 0.000 0.199 343 D C 2.362 178.301 176.300 -0.602 0.000 0.984 343 D CA 1.203 54.824 54.000 -0.631 0.000 0.834 343 D CB -0.092 40.012 40.800 -1.160 0.000 0.955 343 D HN 0.195 nan 8.370 nan 0.000 0.465 344 V N 0.884 120.538 119.914 -0.433 0.000 2.307 344 V HA -0.251 3.871 4.120 0.002 0.000 0.245 344 V C 2.753 178.819 176.094 -0.047 0.000 1.045 344 V CA 1.245 63.375 62.300 -0.283 0.000 1.024 344 V CB -0.522 31.254 31.823 -0.077 0.000 0.651 344 V HN 0.283 nan 8.190 nan 0.000 0.449 345 C N 0.769 119.976 119.300 -0.155 0.000 2.413 345 C HA -0.156 4.306 4.460 0.002 0.000 0.276 345 C C 3.267 178.275 174.990 0.029 0.000 1.248 345 C CA 1.450 60.428 59.018 -0.066 0.000 1.742 345 C CB -1.242 26.320 27.740 -0.297 0.000 2.017 345 C HN 0.773 nan 8.230 nan 0.000 0.481 346 S N 1.906 117.565 115.700 -0.070 0.000 2.400 346 S HA -0.130 4.341 4.470 0.002 0.000 0.232 346 S C 1.913 176.542 174.600 0.048 0.000 1.025 346 S CA 1.504 59.689 58.200 -0.026 0.000 0.993 346 S CB -0.514 62.636 63.200 -0.082 0.000 0.808 346 S HN 0.643 nan 8.310 nan 0.000 0.478 347 A N 0.886 123.728 122.820 0.037 0.000 1.898 347 A HA 0.184 4.506 4.320 0.002 0.000 0.216 347 A C 1.883 179.602 177.584 0.225 0.000 1.181 347 A CA 1.188 53.279 52.037 0.089 0.000 0.620 347 A CB -0.939 17.950 19.000 -0.185 0.000 0.819 347 A HN 0.549 nan 8.150 nan 0.000 0.442 348 F N -0.081 120.024 119.950 0.258 0.000 2.163 348 F HA -0.104 4.425 4.527 0.002 0.000 0.297 348 F C 2.533 178.428 175.800 0.158 0.000 1.094 348 F CA 1.539 59.724 58.000 0.309 0.000 1.290 348 F CB -0.435 38.696 39.000 0.218 0.000 1.017 348 F HN 0.157 nan 8.300 nan 0.000 0.483 349 V N -1.589 118.487 119.914 0.269 0.000 2.594 349 V HA -0.216 3.906 4.120 0.002 0.000 0.253 349 V C 1.701 177.857 176.094 0.105 0.000 1.069 349 V CA 2.226 64.615 62.300 0.149 0.000 1.082 349 V CB -0.653 31.224 31.823 0.090 0.000 0.680 349 V HN 0.456 nan 8.190 nan 0.000 0.469 350 E N -0.093 120.170 120.200 0.105 0.000 2.400 350 E HA 0.005 4.357 4.350 0.002 0.000 0.195 350 E C 2.276 178.891 176.600 0.026 0.000 1.012 350 E CA -0.060 56.378 56.400 0.063 0.000 0.875 350 E CB -0.023 29.717 29.700 0.067 0.000 0.859 350 E HN 0.568 nan 8.360 nan 0.000 0.498 351 R N 0.183 120.695 120.500 0.019 0.000 2.193 351 R HA -0.045 4.296 4.340 0.002 0.000 0.213 351 R C 0.941 177.197 176.300 -0.073 0.000 1.055 351 R CA 1.031 57.047 56.100 -0.139 0.000 0.995 351 R CB -0.223 29.867 30.300 -0.350 0.000 0.893 351 R HN 0.250 nan 8.270 nan 0.000 0.459 352 G N 1.383 110.189 108.800 0.011 0.000 2.283 352 G HA2 -0.303 3.659 3.960 0.002 0.000 0.280 352 G HA3 -0.303 3.659 3.960 0.002 0.000 0.280 352 G C -0.232 174.679 174.900 0.017 0.000 1.029 352 G CA 1.243 46.355 45.100 0.020 0.000 0.840 352 G HN 0.561 nan 8.290 nan 0.000 0.505 353 E N -0.670 119.554 120.200 0.039 0.000 4.442 353 E HA 0.708 5.059 4.350 0.002 0.000 0.185 353 E C 0.968 177.624 176.600 0.092 0.000 1.080 353 E CA -0.525 55.900 56.400 0.041 0.000 0.993 353 E CB 0.059 29.757 29.700 -0.003 0.000 1.905 353 E HN 0.694 nan 8.360 nan 0.000 0.416 354 A N 1.372 124.259 122.820 0.112 0.000 2.445 354 A HA 0.287 4.609 4.320 0.002 0.000 0.242 354 A C -0.251 177.452 177.584 0.198 0.000 1.075 354 A CA 0.291 52.407 52.037 0.133 0.000 0.777 354 A CB 0.040 19.116 19.000 0.127 0.000 1.013 354 A HN 0.306 nan 8.150 nan 0.000 0.493 355 M N 4.551 124.221 119.600 0.115 0.000 2.131 355 M HA 0.225 4.707 4.480 0.002 0.000 0.345 355 M C -1.881 174.408 176.300 -0.019 0.000 1.060 355 M CA -2.031 53.299 55.300 0.050 0.000 1.011 355 M CB 0.746 33.364 32.600 0.030 0.000 1.328 355 M HN 0.521 nan 8.290 nan 0.000 0.396 356 P HA 0.033 nan 4.420 nan 0.000 0.263 356 P C -0.237 177.011 177.300 -0.087 0.000 1.386 356 P CA 0.047 63.119 63.100 -0.048 0.000 0.797 356 P CB 0.114 31.824 31.700 0.017 0.000 1.381 357 K N 0.380 120.717 120.400 -0.105 0.000 7.314 357 K HA -0.126 4.196 4.320 0.002 0.000 0.694 357 K C -0.924 175.631 176.600 -0.075 0.000 2.568 357 K CA 0.494 56.743 56.287 -0.063 0.000 1.889 357 K CB -0.825 31.668 32.500 -0.011 0.000 2.060 357 K HN 0.075 nan 8.250 nan 0.000 0.284 358 I N 5.022 125.572 120.570 -0.034 0.000 2.465 358 I HA 0.426 4.597 4.170 0.002 0.000 0.291 358 I C -0.515 175.690 176.117 0.146 0.000 1.014 358 I CA -0.796 60.534 61.300 0.050 0.000 1.093 358 I CB 1.246 39.276 38.000 0.051 0.000 1.267 358 I HN 0.401 nan 8.210 nan 0.000 0.431 359 L N 4.976 126.295 121.223 0.159 0.000 2.356 359 L HA 0.717 5.059 4.340 0.002 0.000 0.277 359 L C 0.235 177.109 176.870 0.008 0.000 0.996 359 L CA -0.523 54.385 54.840 0.114 0.000 0.822 359 L CB 1.729 43.908 42.059 0.201 0.000 1.256 359 L HN 0.734 nan 8.230 nan 0.000 0.413 360 A N 2.091 124.743 122.820 -0.280 0.000 2.292 360 A HA 0.881 5.202 4.320 0.002 0.000 0.319 360 A C 0.109 177.192 177.584 -0.836 0.000 1.206 360 A CA -0.037 51.666 52.037 -0.556 0.000 0.835 360 A CB 0.854 19.238 19.000 -1.027 0.000 1.164 360 A HN 0.748 nan 8.150 nan 0.000 0.505 361 G N 1.028 109.346 108.800 -0.803 0.000 2.638 361 G HA2 0.572 4.533 3.960 0.002 0.000 0.302 361 G HA3 0.572 4.533 3.960 0.002 0.000 0.302 361 G C -0.824 173.842 174.900 -0.390 0.000 1.365 361 G CA -0.673 43.703 45.100 -1.205 0.000 0.987 361 G HN 0.844 nan 8.290 nan 0.000 0.495 362 R N 0.630 120.972 120.500 -0.263 0.000 2.589 362 R HA 0.722 5.064 4.340 0.002 0.000 0.293 362 R C -1.041 175.288 176.300 0.049 0.000 0.963 362 R CA -0.739 55.306 56.100 -0.091 0.000 0.905 362 R CB 1.265 31.481 30.300 -0.140 0.000 1.144 362 R HN 0.729 nan 8.270 nan 0.000 0.459 363 Y N -0.269 119.915 120.300 -0.194 0.000 2.705 363 Y HA 0.484 5.036 4.550 0.002 0.000 0.332 363 Y C 0.488 176.250 175.900 -0.229 0.000 1.221 363 Y CA -1.076 56.887 58.100 -0.228 0.000 1.059 363 Y CB 0.376 38.529 38.460 -0.513 0.000 1.298 363 Y HN 0.705 nan 8.280 nan 0.000 0.459 364 G N 1.156 109.855 108.800 -0.168 0.000 2.439 364 G HA2 -0.271 3.690 3.960 0.002 0.000 0.305 364 G HA3 -0.271 3.690 3.960 0.002 0.000 0.305 364 G C -0.593 174.169 174.900 -0.231 0.000 0.966 364 G CA 0.584 45.585 45.100 -0.165 0.000 0.890 364 G HN 0.568 nan 8.290 nan 0.000 0.513 365 L N -0.059 121.042 121.223 -0.202 0.000 2.455 365 L HA 0.506 4.847 4.340 0.002 0.000 0.272 365 L C 1.624 178.461 176.870 -0.055 0.000 1.174 365 L CA 1.411 56.165 54.840 -0.144 0.000 0.869 365 L CB 0.781 42.773 42.059 -0.112 0.000 1.130 365 L HN 1.077 nan 8.230 nan 0.000 0.474 366 G N 2.502 111.303 108.800 0.002 0.000 2.272 366 G HA2 -0.284 3.677 3.960 0.002 0.000 0.280 366 G HA3 -0.284 3.677 3.960 0.002 0.000 0.280 366 G C 0.721 175.665 174.900 0.073 0.000 1.067 366 G CA 0.354 45.512 45.100 0.098 0.000 0.902 366 G HN 0.799 nan 8.290 nan 0.000 0.500 367 S N -2.356 113.392 115.700 0.081 0.000 3.380 367 S HA -0.252 4.220 4.470 0.002 0.000 0.300 367 S C 1.073 175.650 174.600 -0.039 0.000 1.255 367 S CA 1.995 60.232 58.200 0.062 0.000 0.963 367 S CB -0.722 62.542 63.200 0.107 0.000 1.106 367 S HN 1.682 nan 8.310 nan 0.000 0.629 368 K N 2.750 123.123 120.400 -0.044 0.000 2.527 368 K HA 0.061 4.382 4.320 0.002 0.000 0.278 368 K C 0.300 176.925 176.600 0.042 0.000 0.981 368 K CA 0.478 56.747 56.287 -0.029 0.000 1.009 368 K CB 0.401 32.893 32.500 -0.014 0.000 0.895 368 K HN 0.158 nan 8.250 nan 0.000 0.493 369 E N 2.674 122.899 120.200 0.043 0.000 2.436 369 E HA -0.053 4.298 4.350 0.002 0.000 0.262 369 E C -0.635 176.116 176.600 0.253 0.000 1.063 369 E CA 0.580 57.040 56.400 0.100 0.000 0.944 369 E CB 0.244 29.971 29.700 0.045 0.000 0.950 369 E HN 0.597 nan 8.360 nan 0.000 0.444 370 F N 2.054 122.039 119.950 0.058 0.000 2.794 370 F HA 0.085 4.613 4.527 0.002 0.000 0.353 370 F C 0.210 176.012 175.800 0.002 0.000 1.371 370 F CA -0.477 57.559 58.000 0.060 0.000 1.173 370 F CB 0.375 39.451 39.000 0.127 0.000 1.693 370 F HN 0.331 nan 8.300 nan 0.000 0.606 371 S N 2.353 117.948 115.700 -0.175 0.000 2.634 371 S HA 0.419 4.890 4.470 0.002 0.000 0.261 371 S C -1.976 172.317 174.600 -0.512 0.000 1.271 371 S CA -0.993 56.962 58.200 -0.408 0.000 0.985 371 S CB 1.274 64.287 63.200 -0.312 0.000 0.968 371 S HN 0.283 nan 8.310 nan 0.000 0.568 372 P HA -0.070 nan 4.420 nan 0.000 0.215 372 P C 1.651 178.884 177.300 -0.112 0.000 1.153 372 P CA 2.044 65.010 63.100 -0.224 0.000 0.853 372 P CB -0.316 31.305 31.700 -0.132 0.000 0.788 373 A N -0.919 121.874 122.820 -0.044 0.000 1.883 373 A HA -0.243 4.079 4.320 0.002 0.000 0.217 373 A C 2.202 179.617 177.584 -0.281 0.000 1.186 373 A CA 2.160 54.096 52.037 -0.168 0.000 0.624 373 A CB -1.536 17.437 19.000 -0.046 0.000 0.822 373 A HN 0.121 nan 8.150 nan 0.000 0.444 374 M N -0.811 118.638 119.600 -0.251 0.000 2.159 374 M HA -0.129 4.352 4.480 0.002 0.000 0.263 374 M C 2.051 178.163 176.300 -0.314 0.000 1.063 374 M CA 1.288 56.460 55.300 -0.213 0.000 1.110 374 M CB -0.366 32.163 32.600 -0.119 0.000 1.374 374 M HN 0.272 nan 8.290 nan 0.000 0.411 375 V N 0.228 119.842 119.914 -0.500 0.000 2.427 375 V HA -0.226 3.896 4.120 0.002 0.000 0.248 375 V C 2.281 178.246 176.094 -0.215 0.000 1.051 375 V CA 1.697 63.748 62.300 -0.415 0.000 1.048 375 V CB -0.660 30.944 31.823 -0.366 0.000 0.666 375 V HN 0.380 nan 8.190 nan 0.000 0.456 376 K N 0.661 120.858 120.400 -0.338 0.000 2.209 376 K HA -0.141 4.181 4.320 0.002 0.000 0.204 376 K C 2.339 178.770 176.600 -0.282 0.000 1.048 376 K CA 1.817 57.837 56.287 -0.446 0.000 0.940 376 K CB -0.592 31.183 32.500 -1.209 0.000 0.729 376 K HN 0.376 nan 8.250 nan 0.000 0.451 377 S N -0.888 114.652 115.700 -0.267 0.000 2.395 377 S HA -0.027 4.444 4.470 0.002 0.000 0.225 377 S C 1.749 176.213 174.600 -0.226 0.000 1.027 377 S CA 0.967 59.036 58.200 -0.218 0.000 0.965 377 S CB -0.199 62.886 63.200 -0.192 0.000 0.812 377 S HN 0.138 nan 8.310 nan 0.000 0.482 378 V N 0.812 120.592 119.914 -0.223 0.000 2.407 378 V HA -0.130 3.991 4.120 0.002 0.000 0.248 378 V C 1.958 177.909 176.094 -0.238 0.000 1.055 378 V CA 1.774 63.917 62.300 -0.262 0.000 1.049 378 V CB -0.910 30.812 31.823 -0.168 0.000 0.662 378 V HN 0.579 nan 8.190 nan 0.000 0.455 379 Y N 0.299 120.542 120.300 -0.096 0.000 2.184 379 Y HA -0.160 4.392 4.550 0.002 0.000 0.290 379 Y C 2.622 178.471 175.900 -0.085 0.000 1.129 379 Y CA 1.346 59.407 58.100 -0.065 0.000 1.144 379 Y CB -0.219 38.202 38.460 -0.065 0.000 0.995 379 Y HN 0.261 nan 8.280 nan 0.000 0.513 380 D N -0.020 120.401 120.400 0.035 0.000 2.158 380 D HA -0.209 4.433 4.640 0.002 0.000 0.197 380 D C 1.667 177.936 176.300 -0.053 0.000 0.995 380 D CA 1.382 55.366 54.000 -0.028 0.000 0.846 380 D CB -0.543 40.207 40.800 -0.084 0.000 0.941 380 D HN 0.328 nan 8.370 nan 0.000 0.456 381 N N 0.398 119.031 118.700 -0.112 0.000 2.069 381 N HA -0.129 4.613 4.740 0.002 0.000 0.191 381 N C 1.844 177.315 175.510 -0.066 0.000 1.031 381 N CA 1.104 54.064 53.050 -0.150 0.000 0.852 381 N CB -0.170 38.120 38.487 -0.329 0.000 1.018 381 N HN 0.087 nan 8.380 nan 0.000 0.423 382 M N -0.372 119.217 119.600 -0.018 0.000 2.202 382 M HA -0.110 4.372 4.480 0.002 0.000 0.262 382 M C 1.684 178.007 176.300 0.038 0.000 1.063 382 M CA 1.539 56.861 55.300 0.037 0.000 1.097 382 M CB -0.287 32.368 32.600 0.093 0.000 1.382 382 M HN 0.329 nan 8.290 nan 0.000 0.413 383 S N -1.196 114.524 115.700 0.034 0.000 2.593 383 S HA 0.217 4.688 4.470 0.002 0.000 0.217 383 S C 1.097 175.701 174.600 0.006 0.000 0.966 383 S CA 0.102 58.318 58.200 0.026 0.000 0.914 383 S CB 0.090 63.307 63.200 0.029 0.000 0.776 383 S HN 0.461 nan 8.310 nan 0.000 0.523 384 G N 1.087 109.882 108.800 -0.008 0.000 2.665 384 G HA2 0.561 4.522 3.960 0.002 0.000 0.204 384 G HA3 0.561 4.522 3.960 0.002 0.000 0.204 384 G C 1.272 176.160 174.900 -0.019 0.000 1.883 384 G CA 0.052 45.142 45.100 -0.017 0.000 0.734 384 G HN 0.432 nan 8.290 nan 0.000 0.811 385 A N -0.055 122.745 122.820 -0.033 0.000 1.972 385 A HA 0.138 4.460 4.320 0.002 0.000 0.219 385 A C 1.370 178.942 177.584 -0.021 0.000 1.169 385 A CA 1.971 53.991 52.037 -0.029 0.000 0.635 385 A CB -0.643 18.332 19.000 -0.042 0.000 0.810 385 A HN 0.623 nan 8.150 nan 0.000 0.446 386 K N -1.095 119.290 120.400 -0.025 0.000 3.096 386 K HA -0.185 4.136 4.320 0.002 0.000 0.266 386 K C -0.054 176.555 176.600 0.015 0.000 1.043 386 K CA 0.986 57.272 56.287 -0.000 0.000 0.758 386 K CB -1.466 31.040 32.500 0.011 0.000 1.260 386 K HN 0.691 nan 8.250 nan 0.000 0.481 387 K N 1.361 121.763 120.400 0.003 0.000 2.401 387 K HA 0.085 4.407 4.320 0.002 0.000 0.278 387 K C 0.072 176.783 176.600 0.185 0.000 1.018 387 K CA -0.229 56.089 56.287 0.051 0.000 0.981 387 K CB 0.535 33.049 32.500 0.023 0.000 0.933 387 K HN 0.119 nan 8.250 nan 0.000 0.477 388 N N 1.447 120.210 118.700 0.105 0.000 2.459 388 N HA 0.184 4.925 4.740 0.002 0.000 0.288 388 N C -1.205 174.324 175.510 0.032 0.000 1.186 388 N CA -0.120 52.949 53.050 0.031 0.000 0.917 388 N CB 0.538 38.895 38.487 -0.217 0.000 1.219 388 N HN 0.784 nan 8.380 nan 0.000 0.525 389 H N -0.278 118.690 119.070 -0.171 0.000 2.677 389 H HA -0.208 4.350 4.556 0.003 0.000 0.321 389 H C -0.758 174.489 175.328 -0.136 0.000 1.171 389 H CA 0.473 56.374 56.048 -0.244 0.000 1.139 389 H CB -1.667 28.006 29.762 -0.149 0.000 1.515 389 H HN 0.352 nan 8.280 nan 0.000 0.423 390 F N -0.495 119.474 119.950 0.033 0.000 2.457 390 F HA 0.702 5.231 4.527 0.002 0.000 0.330 390 F C 0.422 176.228 175.800 0.010 0.000 1.069 390 F CA -0.543 57.466 58.000 0.015 0.000 1.009 390 F CB 1.071 40.074 39.000 0.005 0.000 1.276 390 F HN -0.019 nan 8.300 nan 0.000 0.492 391 T N -0.572 114.173 114.554 0.318 0.000 2.887 391 T HA 0.783 5.135 4.350 0.002 0.000 0.288 391 T C -1.151 173.736 174.700 0.311 0.000 1.021 391 T CA -0.783 61.443 62.100 0.210 0.000 1.000 391 T CB 1.483 70.407 68.868 0.094 0.000 1.034 391 T HN 0.707 nan 8.240 nan 0.000 0.467 392 V N 1.352 121.432 119.914 0.277 0.000 2.638 392 V HA 0.788 4.909 4.120 0.002 0.000 0.306 392 V C 1.052 177.270 176.094 0.206 0.000 1.052 392 V CA -0.017 62.435 62.300 0.253 0.000 0.885 392 V CB 0.879 32.914 31.823 0.353 0.000 0.999 392 V HN 1.470 nan 8.190 nan 0.000 0.424 393 G N 3.802 112.691 108.800 0.147 0.000 2.284 393 G HA2 -0.117 3.844 3.960 0.002 0.000 0.201 393 G HA3 -0.117 3.844 3.960 0.002 0.000 0.201 393 G C -0.102 174.844 174.900 0.077 0.000 0.998 393 G CA 0.153 45.325 45.100 0.121 0.000 0.651 393 G HN 1.026 nan 8.290 nan 0.000 0.489 394 I N -1.364 119.250 120.570 0.072 0.000 3.002 394 I HA 0.808 4.979 4.170 0.002 0.000 0.310 394 I C -0.543 175.607 176.117 0.056 0.000 1.087 394 I CA -1.951 59.385 61.300 0.060 0.000 1.017 394 I CB 1.713 39.745 38.000 0.054 0.000 1.226 394 I HN 0.086 nan 8.210 nan 0.000 0.443 395 E N 2.413 122.645 120.200 0.054 0.000 2.282 395 E HA 0.083 4.434 4.350 0.002 0.000 0.247 395 E C -0.818 175.807 176.600 0.042 0.000 1.113 395 E CA -0.402 56.022 56.400 0.040 0.000 1.095 395 E CB 0.063 29.780 29.700 0.029 0.000 1.328 395 E HN 0.570 nan 8.360 nan 0.000 0.463 396 D N 3.020 123.447 120.400 0.044 0.000 2.380 396 D HA -0.107 4.535 4.640 0.002 0.000 0.270 396 D C 0.193 176.511 176.300 0.029 0.000 1.363 396 D CA 0.130 54.154 54.000 0.040 0.000 1.057 396 D CB 0.410 41.234 40.800 0.040 0.000 1.096 396 D HN 0.405 nan 8.370 nan 0.000 0.524 397 D N 2.136 122.551 120.400 0.024 0.000 2.358 397 D HA -0.067 4.574 4.640 0.002 0.000 0.224 397 D C 1.373 177.679 176.300 0.010 0.000 1.123 397 D CA -0.046 53.961 54.000 0.012 0.000 0.833 397 D CB -0.041 40.761 40.800 0.003 0.000 0.946 397 D HN 0.313 nan 8.370 nan 0.000 0.505 398 V N -2.115 117.809 119.914 0.016 0.000 3.151 398 V HA 0.181 4.302 4.120 0.002 0.000 0.241 398 V C 1.712 177.814 176.094 0.013 0.000 1.173 398 V CA 1.161 63.469 62.300 0.013 0.000 1.154 398 V CB 0.007 31.839 31.823 0.016 0.000 0.898 398 V HN 0.240 nan 8.190 nan 0.000 0.473 399 T N -2.974 111.590 114.554 0.017 0.000 3.043 399 T HA 0.420 4.772 4.350 0.002 0.000 0.272 399 T C 1.475 176.189 174.700 0.024 0.000 0.990 399 T CA 0.527 62.638 62.100 0.018 0.000 0.897 399 T CB 0.170 69.048 68.868 0.016 0.000 1.111 399 T HN 1.598 nan 8.240 nan 0.000 0.529 400 G N 2.523 111.338 108.800 0.024 0.000 2.395 400 G HA2 -0.306 3.656 3.960 0.002 0.000 0.300 400 G HA3 -0.306 3.656 3.960 0.002 0.000 0.300 400 G C 0.773 175.698 174.900 0.043 0.000 0.998 400 G CA 0.899 46.016 45.100 0.028 0.000 1.046 400 G HN 0.954 nan 8.290 nan 0.000 0.513 401 T N -2.582 112.004 114.554 0.054 0.000 3.065 401 T HA 0.408 4.759 4.350 0.002 0.000 0.252 401 T C 1.621 176.392 174.700 0.119 0.000 1.099 401 T CA 0.906 63.057 62.100 0.086 0.000 1.063 401 T CB 0.135 69.046 68.868 0.071 0.000 0.948 401 T HN 1.483 nan 8.240 nan 0.000 0.506 402 S N 1.423 117.172 115.700 0.083 0.000 2.579 402 S HA 0.487 4.959 4.470 0.002 0.000 0.275 402 S C -0.299 174.332 174.600 0.052 0.000 1.345 402 S CA -0.866 57.384 58.200 0.083 0.000 1.031 402 S CB 0.403 63.635 63.200 0.054 0.000 0.892 402 S HN 0.211 nan 8.310 nan 0.000 0.529 403 L N 3.041 124.283 121.223 0.030 0.000 2.309 403 L HA 0.571 4.913 4.340 0.002 0.000 0.282 403 L C -1.963 174.874 176.870 -0.054 0.000 1.036 403 L CA -2.048 52.751 54.840 -0.069 0.000 0.806 403 L CB 1.087 43.031 42.059 -0.191 0.000 1.220 403 L HN 0.637 nan 8.230 nan 0.000 0.429 404 P HA 0.174 nan 4.420 nan 0.000 0.271 404 P C -1.299 175.960 177.300 -0.070 0.000 1.218 404 P CA -0.149 62.917 63.100 -0.056 0.000 0.780 404 P CB 1.182 32.848 31.700 -0.057 0.000 0.901 405 V N 2.547 122.429 119.914 -0.053 0.000 2.569 405 V HA 0.171 4.293 4.120 0.002 0.000 0.301 405 V C -0.292 175.772 176.094 -0.050 0.000 1.044 405 V CA -0.453 61.809 62.300 -0.063 0.000 0.874 405 V CB 1.762 33.558 31.823 -0.046 0.000 1.002 405 V HN 0.524 nan 8.190 nan 0.000 0.424 406 D N 3.642 124.005 120.400 -0.063 0.000 2.456 406 D HA 0.210 4.852 4.640 0.002 0.000 0.219 406 D C 0.993 177.293 176.300 0.000 0.000 1.126 406 D CA -0.127 53.855 54.000 -0.029 0.000 0.890 406 D CB 0.678 41.460 40.800 -0.030 0.000 1.025 406 D HN 0.436 nan 8.370 nan 0.000 0.511 407 N N 2.500 121.203 118.700 0.005 0.000 2.573 407 N HA -0.109 4.633 4.740 0.002 0.000 0.187 407 N C 1.200 176.733 175.510 0.039 0.000 1.107 407 N CA 0.336 53.396 53.050 0.017 0.000 0.918 407 N CB 0.237 38.725 38.487 0.003 0.000 0.966 407 N HN 0.462 nan 8.380 nan 0.000 0.448 408 A N 0.487 123.335 122.820 0.045 0.000 2.235 408 A HA 0.019 4.341 4.320 0.002 0.000 0.208 408 A C 0.714 178.351 177.584 0.088 0.000 1.172 408 A CA -0.431 51.633 52.037 0.046 0.000 0.786 408 A CB -0.687 18.333 19.000 0.035 0.000 0.804 408 A HN 0.316 nan 8.150 nan 0.000 0.479 409 F N 0.737 120.639 119.950 -0.080 0.000 2.628 409 F HA 0.254 4.782 4.527 0.002 0.000 0.362 409 F C 1.039 176.769 175.800 -0.117 0.000 1.148 409 F CA -0.383 57.553 58.000 -0.108 0.000 1.352 409 F CB 0.497 39.408 39.000 -0.147 0.000 1.081 409 F HN 0.320 nan 8.300 nan 0.000 0.605 410 A N 4.497 126.904 122.820 -0.688 0.000 2.366 410 A HA 0.025 4.347 4.320 0.002 0.000 0.250 410 A C -0.255 176.893 177.584 -0.728 0.000 1.099 410 A CA -0.356 51.316 52.037 -0.609 0.000 0.794 410 A CB 0.070 18.785 19.000 -0.475 0.000 1.056 410 A HN 0.798 nan 8.150 nan 0.000 0.499 411 D N 0.148 120.323 120.400 -0.376 0.000 2.317 411 D HA 0.182 4.823 4.640 0.002 0.000 0.252 411 D C 1.012 177.161 176.300 -0.252 0.000 1.174 411 D CA 0.666 54.517 54.000 -0.249 0.000 0.866 411 D CB 0.819 41.567 40.800 -0.087 0.000 1.127 411 D HN 0.520 nan 8.370 nan 0.000 0.467 412 T N -0.489 113.915 114.554 -0.250 0.000 3.122 412 T HA 0.042 4.394 4.350 0.002 0.000 0.250 412 T C 1.014 175.739 174.700 0.042 0.000 1.067 412 T CA -0.441 61.583 62.100 -0.125 0.000 0.966 412 T CB -0.287 68.484 68.868 -0.161 0.000 1.002 412 T HN 0.396 nan 8.240 nan 0.000 0.542 413 T N 1.220 115.811 114.554 0.063 0.000 2.930 413 T HA 0.370 4.722 4.350 0.002 0.000 0.306 413 T C -2.676 172.053 174.700 0.048 0.000 1.045 413 T CA -1.472 60.671 62.100 0.071 0.000 1.134 413 T CB 0.142 69.050 68.868 0.067 0.000 0.961 413 T HN -0.008 nan 8.240 nan 0.000 0.545 414 P HA 0.071 nan 4.420 nan 0.000 0.265 414 P C 0.011 177.331 177.300 0.032 0.000 1.187 414 P CA -0.244 62.870 63.100 0.023 0.000 0.766 414 P CB 0.356 32.054 31.700 -0.004 0.000 0.820 415 K N 2.113 122.531 120.400 0.030 0.000 2.561 415 K HA 0.091 4.412 4.320 0.002 0.000 0.280 415 K C 1.557 178.184 176.600 0.045 0.000 0.975 415 K CA 1.192 57.500 56.287 0.035 0.000 1.024 415 K CB -0.821 31.695 32.500 0.027 0.000 0.883 415 K HN 0.888 nan 8.250 nan 0.000 0.496 416 G N 1.811 110.642 108.800 0.052 0.000 2.162 416 G HA2 -0.275 3.686 3.960 0.002 0.000 0.260 416 G HA3 -0.275 3.686 3.960 0.002 0.000 0.260 416 G C 0.115 175.065 174.900 0.083 0.000 0.976 416 G CA 0.638 45.776 45.100 0.064 0.000 0.655 416 G HN 0.555 nan 8.290 nan 0.000 0.533 417 T N 1.130 115.732 114.554 0.079 0.000 2.794 417 T HA 0.538 4.889 4.350 0.002 0.000 0.296 417 T C 0.296 175.061 174.700 0.109 0.000 0.949 417 T CA 0.097 62.254 62.100 0.095 0.000 1.101 417 T CB 1.255 70.162 68.868 0.066 0.000 0.905 417 T HN 0.223 nan 8.240 nan 0.000 0.516 418 I N 4.089 124.752 120.570 0.155 0.000 2.304 418 I HA 0.218 4.390 4.170 0.002 0.000 0.291 418 I C 0.470 176.698 176.117 0.186 0.000 1.018 418 I CA -0.061 61.342 61.300 0.171 0.000 1.260 418 I CB 1.146 39.264 38.000 0.197 0.000 1.390 418 I HN 0.511 nan 8.210 nan 0.000 0.475 419 Q N 5.527 125.416 119.800 0.147 0.000 2.325 419 Q HA 0.587 4.929 4.340 0.002 0.000 0.262 419 Q C -1.199 174.895 176.000 0.155 0.000 0.968 419 Q CA -0.614 55.264 55.803 0.124 0.000 0.877 419 Q CB 1.965 30.755 28.738 0.087 0.000 1.253 419 Q HN 0.617 nan 8.270 nan 0.000 0.448 420 C N 1.867 121.270 119.300 0.172 0.000 2.529 420 C HA 0.582 5.044 4.460 0.002 0.000 0.329 420 C C -0.305 174.679 174.990 -0.010 0.000 1.194 420 C CA -0.786 58.327 59.018 0.157 0.000 1.779 420 C CB 1.547 29.488 27.740 0.336 0.000 2.322 420 C HN 0.776 nan 8.230 nan 0.000 0.500 421 Q N 0.484 120.158 119.800 -0.210 0.000 2.305 421 Q HA 0.623 4.964 4.340 0.002 0.000 0.271 421 Q C -1.809 173.965 176.000 -0.376 0.000 1.046 421 Q CA -0.216 55.434 55.803 -0.255 0.000 0.798 421 Q CB 2.223 30.867 28.738 -0.157 0.000 1.286 421 Q HN 0.648 nan 8.270 nan 0.000 0.435 422 F N 0.705 120.591 119.950 -0.106 0.000 2.520 422 F HA 0.524 5.053 4.527 0.003 0.000 0.322 422 F C -0.953 174.771 175.800 -0.127 0.000 1.103 422 F CA -0.699 57.247 58.000 -0.089 0.000 0.926 422 F CB 1.234 40.118 39.000 -0.193 0.000 1.154 422 F HN 0.418 nan 8.300 nan 0.000 0.453 423 W N 2.077 123.331 121.300 -0.077 0.000 2.362 423 W HA 0.684 5.346 4.660 0.002 0.000 0.316 423 W C 0.133 176.734 176.519 0.136 0.000 1.024 423 W CA -1.203 56.150 57.345 0.014 0.000 1.270 423 W CB 1.641 31.145 29.460 0.072 0.000 1.273 423 W HN 0.664 nan 8.180 nan 0.000 0.424 424 G N 1.994 110.991 108.800 0.328 0.000 2.600 424 G HA2 0.681 4.643 3.960 0.002 0.000 0.303 424 G HA3 0.681 4.643 3.960 0.002 0.000 0.303 424 G C -1.994 173.140 174.900 0.389 0.000 1.253 424 G CA -1.029 44.277 45.100 0.344 0.000 0.974 424 G HN 0.305 nan 8.290 nan 0.000 0.483 425 L N 0.848 122.239 121.223 0.280 0.000 2.325 425 L HA 0.713 5.055 4.340 0.002 0.000 0.279 425 L C 1.012 177.984 176.870 0.170 0.000 1.054 425 L CA -0.343 54.643 54.840 0.244 0.000 0.804 425 L CB 1.118 43.251 42.059 0.124 0.000 1.200 425 L HN 0.728 nan 8.230 nan 0.000 0.436 426 G N 3.633 112.530 108.800 0.161 0.000 2.287 426 G HA2 0.374 4.335 3.960 0.002 0.000 0.235 426 G HA3 0.374 4.335 3.960 0.002 0.000 0.235 426 G C 0.791 175.746 174.900 0.093 0.000 1.258 426 G CA 0.319 45.494 45.100 0.124 0.000 0.884 426 G HN 1.887 nan 8.290 nan 0.000 0.518 427 A N 1.613 124.479 122.820 0.077 0.000 3.153 427 A HA -0.221 4.100 4.320 0.002 0.000 0.265 427 A C 1.681 179.297 177.584 0.053 0.000 1.212 427 A CA 1.833 53.902 52.037 0.054 0.000 1.018 427 A CB -1.801 17.226 19.000 0.045 0.000 1.130 427 A HN 1.205 nan 8.150 nan 0.000 0.873 428 D N -0.798 119.644 120.400 0.071 0.000 2.355 428 D HA 0.317 4.959 4.640 0.002 0.000 0.218 428 D C 1.509 177.848 176.300 0.066 0.000 1.004 428 D CA 1.217 55.259 54.000 0.069 0.000 0.880 428 D CB -0.799 40.058 40.800 0.095 0.000 0.911 428 D HN 1.917 nan 8.370 nan 0.000 0.528 429 G N -0.349 108.486 108.800 0.058 0.000 2.179 429 G HA2 -0.372 3.589 3.960 0.002 0.000 0.260 429 G HA3 -0.372 3.589 3.960 0.002 0.000 0.260 429 G C 1.134 176.060 174.900 0.043 0.000 0.977 429 G CA 0.806 45.930 45.100 0.040 0.000 0.641 429 G HN 0.377 nan 8.290 nan 0.000 0.533 430 T N 0.658 115.269 114.554 0.094 0.000 2.580 430 T HA -0.193 4.158 4.350 0.002 0.000 0.265 430 T C 2.536 177.228 174.700 -0.013 0.000 1.063 430 T CA 2.212 64.388 62.100 0.126 0.000 1.170 430 T CB -0.470 68.528 68.868 0.218 0.000 0.863 430 T HN 0.387 nan 8.240 nan 0.000 0.418 431 V N 1.538 121.430 119.914 -0.037 0.000 2.250 431 V HA -0.233 3.888 4.120 0.002 0.000 0.250 431 V C 2.880 178.877 176.094 -0.162 0.000 1.060 431 V CA 2.183 64.399 62.300 -0.140 0.000 1.030 431 V CB -1.561 30.057 31.823 -0.342 0.000 0.643 431 V HN 0.681 nan 8.190 nan 0.000 0.445 432 G N -0.611 108.118 108.800 -0.119 0.000 2.505 432 G HA2 -0.305 3.656 3.960 0.002 0.000 0.220 432 G HA3 -0.305 3.656 3.960 0.002 0.000 0.220 432 G C 1.733 176.599 174.900 -0.056 0.000 1.145 432 G CA 1.423 46.471 45.100 -0.087 0.000 0.761 432 G HN 0.685 nan 8.290 nan 0.000 0.571 433 A N 1.034 123.823 122.820 -0.052 0.000 1.898 433 A HA -0.048 4.274 4.320 0.002 0.000 0.216 433 A C 2.273 179.776 177.584 -0.134 0.000 1.181 433 A CA 1.679 53.683 52.037 -0.055 0.000 0.620 433 A CB -0.425 18.545 19.000 -0.049 0.000 0.819 433 A HN 0.373 nan 8.150 nan 0.000 0.442 434 N N 0.162 118.728 118.700 -0.224 0.000 2.205 434 N HA -0.144 4.598 4.740 0.002 0.000 0.186 434 N C 1.574 177.080 175.510 -0.007 0.000 1.015 434 N CA 1.429 54.303 53.050 -0.293 0.000 0.862 434 N CB -0.246 38.077 38.487 -0.274 0.000 0.986 434 N HN 0.564 nan 8.380 nan 0.000 0.429 435 K N 0.543 120.984 120.400 0.069 0.000 2.103 435 K HA -0.005 4.316 4.320 0.002 0.000 0.204 435 K C 1.992 178.643 176.600 0.085 0.000 1.052 435 K CA 0.622 56.980 56.287 0.118 0.000 0.945 435 K CB 0.082 32.592 32.500 0.016 0.000 0.722 435 K HN 0.073 nan 8.250 nan 0.000 0.443 436 Q N 0.343 120.174 119.800 0.051 0.000 2.123 436 Q HA -0.027 4.315 4.340 0.002 0.000 0.199 436 Q C 2.124 178.213 176.000 0.148 0.000 0.966 436 Q CA 1.371 57.224 55.803 0.083 0.000 0.845 436 Q CB -0.182 28.600 28.738 0.073 0.000 0.907 436 Q HN 0.289 nan 8.270 nan 0.000 0.439 437 A N 1.118 124.014 122.820 0.127 0.000 1.940 437 A HA -0.172 4.150 4.320 0.002 0.000 0.219 437 A C 2.013 179.754 177.584 0.262 0.000 1.176 437 A CA 1.090 53.246 52.037 0.198 0.000 0.631 437 A CB -0.523 18.409 19.000 -0.112 0.000 0.814 437 A HN 0.282 nan 8.150 nan 0.000 0.446 438 I N 0.117 120.843 120.570 0.260 0.000 2.118 438 I HA -0.290 3.881 4.170 0.002 0.000 0.241 438 I C 2.322 178.594 176.117 0.257 0.000 1.070 438 I CA 1.959 63.464 61.300 0.341 0.000 1.327 438 I CB -1.377 36.762 38.000 0.232 0.000 1.034 438 I HN 0.395 nan 8.210 nan 0.000 0.405 439 K N 0.467 120.974 120.400 0.178 0.000 1.991 439 K HA -0.184 4.138 4.320 0.002 0.000 0.212 439 K C 2.063 178.741 176.600 0.130 0.000 1.049 439 K CA 1.370 57.734 56.287 0.129 0.000 0.932 439 K CB -0.244 32.313 32.500 0.095 0.000 0.717 439 K HN 0.160 nan 8.250 nan 0.000 0.441 440 I N 1.693 122.358 120.570 0.158 0.000 2.113 440 I HA -0.335 3.837 4.170 0.002 0.000 0.242 440 I C 2.384 178.575 176.117 0.122 0.000 1.057 440 I CA 1.666 63.054 61.300 0.147 0.000 1.314 440 I CB -1.204 36.953 38.000 0.261 0.000 1.022 440 I HN 0.182 nan 8.210 nan 0.000 0.408 441 I N 0.877 121.542 120.570 0.157 0.000 2.163 441 I HA -0.151 4.020 4.170 0.002 0.000 0.240 441 I C 2.802 178.969 176.117 0.082 0.000 1.081 441 I CA 1.828 63.167 61.300 0.066 0.000 1.353 441 I CB -2.083 35.850 38.000 -0.112 0.000 1.054 441 I HN 0.211 nan 8.210 nan 0.000 0.407 442 G N 0.710 109.595 108.800 0.142 0.000 2.408 442 G HA2 -0.207 3.754 3.960 0.002 0.000 0.217 442 G HA3 -0.207 3.754 3.960 0.002 0.000 0.217 442 G C 1.090 176.010 174.900 0.034 0.000 1.150 442 G CA 0.600 45.756 45.100 0.094 0.000 0.776 442 G HN 0.322 nan 8.290 nan 0.000 0.542 443 D N 0.237 120.662 120.400 0.042 0.000 2.363 443 D HA 0.047 4.688 4.640 0.002 0.000 0.226 443 D C 1.065 177.366 176.300 0.002 0.000 1.020 443 D CA 0.342 54.351 54.000 0.016 0.000 0.892 443 D CB 0.192 41.006 40.800 0.023 0.000 0.900 443 D HN 0.254 nan 8.370 nan 0.000 0.531 444 N N -0.461 118.241 118.700 0.004 0.000 2.142 444 N HA 0.022 4.763 4.740 0.002 0.000 0.233 444 N C -0.172 175.329 175.510 -0.014 0.000 1.335 444 N CA 0.153 53.197 53.050 -0.010 0.000 0.837 444 N CB 1.671 40.148 38.487 -0.016 0.000 1.238 444 N HN 0.162 nan 8.380 nan 0.000 0.501 445 T N -3.139 111.407 114.554 -0.012 0.000 2.787 445 T HA 0.357 4.709 4.350 0.002 0.000 0.297 445 T C -0.572 174.108 174.700 -0.032 0.000 1.221 445 T CA -0.498 61.594 62.100 -0.014 0.000 1.006 445 T CB 2.030 70.896 68.868 -0.003 0.000 1.328 445 T HN -0.332 nan 8.240 nan 0.000 0.509 446 D N 0.400 120.783 120.400 -0.030 0.000 2.339 446 D HA 0.272 4.913 4.640 0.002 0.000 0.217 446 D C 0.539 176.784 176.300 -0.092 0.000 1.050 446 D CA 0.053 54.011 54.000 -0.070 0.000 0.856 446 D CB -0.091 40.693 40.800 -0.027 0.000 0.922 446 D HN 0.448 nan 8.370 nan 0.000 0.518 447 L N 0.538 121.757 121.223 -0.006 0.000 2.426 447 L HA 0.161 4.503 4.340 0.002 0.000 0.271 447 L C 0.278 177.187 176.870 0.065 0.000 1.169 447 L CA -0.289 54.614 54.840 0.105 0.000 0.836 447 L CB 0.293 42.458 42.059 0.176 0.000 1.112 447 L HN -0.198 nan 8.230 nan 0.000 0.465 448 F N 1.354 121.389 119.950 0.142 0.000 2.384 448 F HA 0.515 5.043 4.527 0.002 0.000 0.338 448 F C 0.643 176.532 175.800 0.149 0.000 1.103 448 F CA -0.189 57.879 58.000 0.114 0.000 1.157 448 F CB 1.252 40.291 39.000 0.065 0.000 1.167 448 F HN 0.455 nan 8.300 nan 0.000 0.529 449 A N 3.207 126.178 122.820 0.252 0.000 2.380 449 A HA 0.733 5.054 4.320 0.002 0.000 0.315 449 A C -1.163 176.390 177.584 -0.051 0.000 1.101 449 A CA -0.618 51.457 52.037 0.063 0.000 0.771 449 A CB 1.842 20.987 19.000 0.242 0.000 1.287 449 A HN 0.709 nan 8.150 nan 0.000 0.436 450 Q N 1.024 120.667 119.800 -0.262 0.000 2.284 450 Q HA 0.555 4.897 4.340 0.002 0.000 0.269 450 Q C -0.983 174.892 176.000 -0.208 0.000 1.026 450 Q CA -0.517 55.192 55.803 -0.155 0.000 0.831 450 Q CB 2.118 30.776 28.738 -0.135 0.000 1.322 450 Q HN 1.146 nan 8.270 nan 0.000 0.419 451 G N 2.272 111.016 108.800 -0.093 0.000 2.591 451 G HA2 0.620 4.581 3.960 0.002 0.000 0.306 451 G HA3 0.620 4.581 3.960 0.002 0.000 0.306 451 G C -2.333 172.505 174.900 -0.103 0.000 1.334 451 G CA -0.327 44.667 45.100 -0.176 0.000 0.981 451 G HN 0.514 nan 8.290 nan 0.000 0.491 452 Y N 1.073 121.054 120.300 -0.533 0.000 2.442 452 Y HA 0.636 5.188 4.550 0.003 0.000 0.330 452 Y C -1.850 173.721 175.900 -0.548 0.000 1.100 452 Y CA -1.309 56.613 58.100 -0.298 0.000 1.034 452 Y CB 1.724 40.090 38.460 -0.156 0.000 1.285 452 Y HN 0.489 nan 8.280 nan 0.000 0.440 453 F N 3.242 122.996 119.950 -0.328 0.000 2.507 453 F HA 0.512 5.041 4.527 0.003 0.000 0.325 453 F C 0.025 175.594 175.800 -0.384 0.000 1.116 453 F CA -0.931 56.885 58.000 -0.307 0.000 0.930 453 F CB 2.236 40.969 39.000 -0.445 0.000 1.146 453 F HN 0.359 nan 8.300 nan 0.000 0.447 454 S N 3.643 119.272 115.700 -0.118 0.000 2.420 454 S HA 0.561 5.032 4.470 0.002 0.000 0.313 454 S C -0.834 173.655 174.600 -0.185 0.000 1.079 454 S CA -0.363 57.803 58.200 -0.058 0.000 1.104 454 S CB -0.150 63.055 63.200 0.009 0.000 0.969 454 S HN 0.430 nan 8.310 nan 0.000 0.471 455 Y N 2.265 122.565 120.300 -0.001 0.000 2.518 455 Y HA 0.585 5.136 4.550 0.002 0.000 0.332 455 Y C 0.810 176.703 175.900 -0.011 0.000 1.276 455 Y CA -0.957 57.143 58.100 -0.001 0.000 1.418 455 Y CB 0.434 38.898 38.460 0.006 0.000 1.527 455 Y HN 0.552 nan 8.280 nan 0.000 0.549 456 D N -1.708 118.812 120.400 0.199 0.000 2.392 456 D HA 0.329 4.970 4.640 0.002 0.000 0.246 456 D C 0.195 176.567 176.300 0.120 0.000 1.013 456 D CA -0.387 53.683 54.000 0.118 0.000 0.993 456 D CB 2.117 42.976 40.800 0.099 0.000 1.219 456 D HN 0.422 nan 8.370 nan 0.000 0.538 457 S N -0.178 115.583 115.700 0.102 0.000 2.425 457 S HA 0.022 4.493 4.470 0.002 0.000 0.225 457 S C 0.415 175.078 174.600 0.106 0.000 1.024 457 S CA 0.283 58.539 58.200 0.092 0.000 0.951 457 S CB 0.078 63.328 63.200 0.083 0.000 0.796 457 S HN 0.304 nan 8.310 nan 0.000 0.498 458 K N 2.710 123.182 120.400 0.120 0.000 2.436 458 K HA 0.116 4.437 4.320 0.002 0.000 0.282 458 K C 0.542 177.216 176.600 0.123 0.000 1.044 458 K CA 0.205 56.572 56.287 0.133 0.000 1.028 458 K CB 0.383 32.967 32.500 0.141 0.000 0.919 458 K HN 0.261 nan 8.250 nan 0.000 0.474 459 K N 0.512 120.986 120.400 0.124 0.000 2.288 459 K HA -0.051 4.271 4.320 0.002 0.000 0.201 459 K C 0.808 177.463 176.600 0.091 0.000 1.048 459 K CA 0.589 56.938 56.287 0.103 0.000 0.956 459 K CB 0.251 32.818 32.500 0.111 0.000 0.746 459 K HN 0.367 nan 8.250 nan 0.000 0.461 460 S N -1.104 114.653 115.700 0.095 0.000 2.538 460 S HA 0.464 4.935 4.470 0.002 0.000 0.288 460 S C 0.014 174.665 174.600 0.085 0.000 1.108 460 S CA -0.089 58.155 58.200 0.073 0.000 0.971 460 S CB 1.626 64.850 63.200 0.041 0.000 1.041 460 S HN 0.442 nan 8.310 nan 0.000 0.483 461 G N 2.949 111.803 108.800 0.090 0.000 2.249 461 G HA2 -0.157 3.805 3.960 0.002 0.000 0.273 461 G HA3 -0.157 3.805 3.960 0.002 0.000 0.273 461 G C 0.513 175.512 174.900 0.165 0.000 1.036 461 G CA 0.177 45.346 45.100 0.116 0.000 0.824 461 G HN 1.158 nan 8.290 nan 0.000 0.504 462 G N -1.060 107.834 108.800 0.158 0.000 2.537 462 G HA2 0.612 4.574 3.960 0.002 0.000 0.273 462 G HA3 0.612 4.574 3.960 0.002 0.000 0.273 462 G C 0.228 175.238 174.900 0.183 0.000 1.189 462 G CA -0.255 44.945 45.100 0.166 0.000 0.881 462 G HN 0.947 nan 8.290 nan 0.000 0.535 463 I N -0.355 120.282 120.570 0.111 0.000 2.638 463 I HA 0.474 4.646 4.170 0.002 0.000 0.286 463 I C 0.060 176.145 176.117 -0.053 0.000 1.088 463 I CA 0.164 61.448 61.300 -0.025 0.000 1.397 463 I CB 1.452 39.255 38.000 -0.328 0.000 1.414 463 I HN 0.297 nan 8.210 nan 0.000 0.566 464 T N 8.561 123.069 114.554 -0.076 0.000 3.050 464 T HA 0.374 4.726 4.350 0.002 0.000 0.310 464 T C -0.616 173.943 174.700 -0.235 0.000 0.978 464 T CA -0.251 61.766 62.100 -0.139 0.000 1.013 464 T CB 0.447 69.279 68.868 -0.059 0.000 1.000 464 T HN 0.570 nan 8.240 nan 0.000 0.447 465 I N 3.016 123.354 120.570 -0.388 0.000 2.330 465 I HA 0.535 4.707 4.170 0.002 0.000 0.289 465 I C -0.260 175.673 176.117 -0.307 0.000 1.001 465 I CA -0.188 60.766 61.300 -0.576 0.000 1.193 465 I CB 0.692 38.103 38.000 -0.982 0.000 1.345 465 I HN 0.449 nan 8.210 nan 0.000 0.461 466 S N 5.494 121.060 115.700 -0.224 0.000 2.585 466 S HA 0.478 4.949 4.470 0.002 0.000 0.277 466 S C -0.981 173.471 174.600 -0.247 0.000 1.241 466 S CA -0.352 57.771 58.200 -0.128 0.000 1.041 466 S CB 0.833 64.032 63.200 -0.001 0.000 0.987 466 S HN 0.603 nan 8.310 nan 0.000 0.512 467 H N 1.295 120.233 119.070 -0.220 0.000 2.800 467 H HA 0.539 5.096 4.556 0.002 0.000 0.322 467 H C -0.864 174.358 175.328 -0.177 0.000 0.979 467 H CA -0.344 55.632 56.048 -0.121 0.000 1.277 467 H CB 0.450 30.154 29.762 -0.095 0.000 1.484 467 H HN 0.310 nan 8.280 nan 0.000 0.512 468 L N 3.242 124.469 121.223 0.007 0.000 2.365 468 L HA 0.659 5.001 4.340 0.002 0.000 0.273 468 L C -0.087 176.691 176.870 -0.153 0.000 1.000 468 L CA -0.769 53.998 54.840 -0.122 0.000 0.819 468 L CB 2.125 44.177 42.059 -0.012 0.000 1.284 468 L HN 0.435 nan 8.230 nan 0.000 0.418 469 R N 2.356 122.616 120.500 -0.399 0.000 2.750 469 R HA 0.747 5.088 4.340 0.002 0.000 0.281 469 R C -1.727 174.230 176.300 -0.572 0.000 0.972 469 R CA -0.713 55.215 56.100 -0.287 0.000 0.912 469 R CB 2.579 32.780 30.300 -0.165 0.000 1.187 469 R HN 0.342 nan 8.270 nan 0.000 0.464 470 F N -0.157 119.858 119.950 0.108 0.000 2.574 470 F HA 0.634 5.163 4.527 0.002 0.000 0.313 470 F C 0.412 176.281 175.800 0.115 0.000 1.130 470 F CA -0.609 57.465 58.000 0.125 0.000 0.936 470 F CB 2.810 41.886 39.000 0.127 0.000 1.219 470 F HN 0.659 nan 8.300 nan 0.000 0.445 471 G N 1.496 110.487 108.800 0.318 0.000 2.682 471 G HA2 0.412 4.374 3.960 0.002 0.000 0.290 471 G HA3 0.412 4.374 3.960 0.002 0.000 0.290 471 G C -0.423 174.651 174.900 0.289 0.000 1.425 471 G CA -0.663 44.577 45.100 0.233 0.000 0.807 471 G HN 0.581 nan 8.290 nan 0.000 0.482 472 E N -0.602 119.729 120.200 0.218 0.000 2.299 472 E HA 0.060 4.411 4.350 0.002 0.000 0.193 472 E C 0.378 177.165 176.600 0.312 0.000 0.998 472 E CA 0.514 57.065 56.400 0.251 0.000 0.851 472 E CB 0.252 30.042 29.700 0.150 0.000 0.795 472 E HN 0.054 nan 8.360 nan 0.000 0.492 473 K N 1.050 121.516 120.400 0.110 0.000 2.166 473 K HA 0.384 4.706 4.320 0.002 0.000 0.245 473 K C -2.602 173.609 176.600 -0.649 0.000 0.967 473 K CA -2.674 53.509 56.287 -0.173 0.000 0.863 473 K CB 0.763 33.199 32.500 -0.108 0.000 1.107 473 K HN -0.232 nan 8.250 nan 0.000 0.436 474 P HA 0.054 nan 4.420 nan 0.000 0.265 474 P C -0.425 176.611 177.300 -0.440 0.000 1.187 474 P CA 0.422 62.830 63.100 -1.153 0.000 0.766 474 P CB 0.292 31.571 31.700 -0.702 0.000 0.820 475 I N 3.487 123.907 120.570 -0.250 0.000 2.306 475 I HA 0.162 4.333 4.170 0.002 0.000 0.288 475 I C 1.036 177.102 176.117 -0.084 0.000 1.036 475 I CA 0.076 61.306 61.300 -0.116 0.000 1.221 475 I CB 0.732 38.696 38.000 -0.061 0.000 1.385 475 I HN 0.315 nan 8.210 nan 0.000 0.472 476 Q N 2.903 122.658 119.800 -0.074 0.000 2.198 476 Q HA 0.170 4.512 4.340 0.002 0.000 0.209 476 Q C 0.285 176.255 176.000 -0.052 0.000 0.848 476 Q CA -0.128 55.658 55.803 -0.029 0.000 0.974 476 Q CB 0.594 29.337 28.738 0.009 0.000 1.115 476 Q HN 0.566 nan 8.270 nan 0.000 0.494 477 S N 2.113 117.702 115.700 -0.184 0.000 4.051 477 S HA -0.008 4.463 4.470 0.002 0.000 0.215 477 S C 0.631 174.923 174.600 -0.512 0.000 1.289 477 S CA 0.009 57.895 58.200 -0.525 0.000 0.907 477 S CB -0.426 62.306 63.200 -0.780 0.000 1.603 477 S HN 0.311 nan 8.310 nan 0.000 0.453 478 T N 1.204 115.655 114.554 -0.171 0.000 3.820 478 T HA 0.332 4.683 4.350 0.002 0.000 0.224 478 T C -0.253 174.434 174.700 -0.020 0.000 0.869 478 T CA -0.546 61.511 62.100 -0.072 0.000 0.932 478 T CB -1.224 67.698 68.868 0.089 0.000 1.259 478 T HN 0.562 nan 8.240 nan 0.000 0.676 479 Y N -1.723 118.490 120.300 -0.144 0.000 2.624 479 Y HA 0.628 5.179 4.550 0.003 0.000 0.334 479 Y C -1.000 174.753 175.900 -0.245 0.000 1.155 479 Y CA -2.298 55.696 58.100 -0.177 0.000 1.046 479 Y CB 0.653 39.058 38.460 -0.092 0.000 1.316 479 Y HN 0.022 nan 8.280 nan 0.000 0.457 480 L N 2.266 123.436 121.223 -0.089 0.000 2.483 480 L HA 0.270 4.611 4.340 0.002 0.000 0.275 480 L C 0.023 176.974 176.870 0.135 0.000 1.220 480 L CA -0.951 53.763 54.840 -0.210 0.000 0.833 480 L CB 0.465 42.356 42.059 -0.281 0.000 1.102 480 L HN 0.566 nan 8.230 nan 0.000 0.490 481 V N 2.406 122.479 119.914 0.266 0.000 2.521 481 V HA -0.051 4.070 4.120 0.002 0.000 0.286 481 V C 0.770 176.990 176.094 0.209 0.000 1.034 481 V CA 0.238 62.681 62.300 0.238 0.000 1.045 481 V CB 0.816 32.756 31.823 0.194 0.000 0.974 481 V HN 0.960 nan 8.190 nan 0.000 0.480 482 N N 4.251 123.053 118.700 0.171 0.000 2.463 482 N HA 0.075 4.816 4.740 0.002 0.000 0.183 482 N C 0.516 176.069 175.510 0.072 0.000 1.064 482 N CA 0.086 53.199 53.050 0.105 0.000 0.879 482 N CB 0.340 38.865 38.487 0.064 0.000 1.148 482 N HN 0.572 nan 8.380 nan 0.000 0.451 483 R N 0.543 121.087 120.500 0.073 0.000 2.358 483 R HA 0.648 4.989 4.340 0.002 0.000 0.309 483 R C -1.230 175.107 176.300 0.063 0.000 1.026 483 R CA -0.551 55.579 56.100 0.051 0.000 0.909 483 R CB 1.731 32.050 30.300 0.031 0.000 1.153 483 R HN 0.190 nan 8.270 nan 0.000 0.515 484 A N 1.994 124.849 122.820 0.057 0.000 2.303 484 A HA 0.298 4.620 4.320 0.002 0.000 0.317 484 A C -0.161 177.472 177.584 0.080 0.000 1.149 484 A CA -0.619 51.459 52.037 0.068 0.000 0.822 484 A CB 0.749 19.779 19.000 0.049 0.000 1.131 484 A HN 0.684 nan 8.150 nan 0.000 0.493 485 D N -0.964 119.506 120.400 0.118 0.000 2.277 485 D HA 0.114 4.755 4.640 0.002 0.000 0.209 485 D C -0.471 175.947 176.300 0.195 0.000 0.970 485 D CA 1.322 55.405 54.000 0.139 0.000 0.874 485 D CB 0.169 41.054 40.800 0.141 0.000 0.982 485 D HN 0.516 nan 8.370 nan 0.000 0.504 486 Y N 0.568 120.893 120.300 0.042 0.000 2.391 486 Y HA 0.510 5.062 4.550 0.002 0.000 0.341 486 Y C -1.561 174.317 175.900 -0.037 0.000 0.965 486 Y CA -1.019 57.095 58.100 0.023 0.000 1.067 486 Y CB 1.480 39.952 38.460 0.021 0.000 1.199 486 Y HN -0.350 nan 8.280 nan 0.000 0.450 487 V N 5.466 125.111 119.914 -0.449 0.000 2.524 487 V HA 0.750 4.872 4.120 0.002 0.000 0.297 487 V C -0.760 175.166 176.094 -0.280 0.000 1.035 487 V CA -0.682 61.450 62.300 -0.281 0.000 0.867 487 V CB 1.362 33.130 31.823 -0.093 0.000 1.004 487 V HN 0.933 nan 8.190 nan 0.000 0.426 488 A N 3.334 125.967 122.820 -0.312 0.000 2.287 488 A HA 0.626 4.948 4.320 0.002 0.000 0.317 488 A C -0.285 177.400 177.584 0.169 0.000 1.220 488 A CA -0.394 51.614 52.037 -0.049 0.000 0.835 488 A CB 1.111 20.208 19.000 0.163 0.000 1.180 488 A HN 1.000 nan 8.150 nan 0.000 0.500 489 C N 3.983 123.450 119.300 0.278 0.000 2.203 489 C HA 0.446 4.907 4.460 0.002 0.000 0.325 489 C C 0.982 176.168 174.990 0.326 0.000 1.156 489 C CA -0.369 58.821 59.018 0.286 0.000 1.597 489 C CB -1.886 26.027 27.740 0.288 0.000 2.148 489 C HN 0.992 nan 8.230 nan 0.000 0.472 490 H N 2.948 122.150 119.070 0.219 0.000 2.547 490 H HA 0.069 4.627 4.556 0.002 0.000 0.266 490 H C 0.650 175.974 175.328 -0.007 0.000 0.988 490 H CA 0.264 56.381 56.048 0.116 0.000 1.147 490 H CB 0.238 30.103 29.762 0.171 0.000 1.365 490 H HN 0.717 nan 8.280 nan 0.000 0.589 491 N N 0.926 119.640 118.700 0.024 0.000 2.540 491 N HA 0.055 4.796 4.740 0.002 0.000 0.275 491 N C -2.035 173.310 175.510 -0.274 0.000 1.053 491 N CA -2.080 50.799 53.050 -0.285 0.000 0.876 491 N CB 1.692 39.706 38.487 -0.788 0.000 1.284 491 N HN -0.145 nan 8.380 nan 0.000 0.518 492 P HA -0.230 nan 4.420 nan 0.000 0.216 492 P C 1.166 178.526 177.300 0.100 0.000 1.153 492 P CA 1.291 64.324 63.100 -0.113 0.000 0.858 492 P CB 0.188 31.670 31.700 -0.364 0.000 0.789 493 A N -0.412 122.425 122.820 0.029 0.000 1.997 493 A HA -0.231 4.090 4.320 0.002 0.000 0.221 493 A C 2.340 180.090 177.584 0.276 0.000 1.172 493 A CA 1.560 53.682 52.037 0.141 0.000 0.645 493 A CB -2.044 17.006 19.000 0.083 0.000 0.813 493 A HN 0.276 nan 8.150 nan 0.000 0.454 494 Y N -0.587 119.853 120.300 0.233 0.000 2.274 494 Y HA -0.182 4.369 4.550 0.003 0.000 0.290 494 Y C 2.432 178.431 175.900 0.165 0.000 1.145 494 Y CA 0.447 58.725 58.100 0.297 0.000 1.203 494 Y CB -0.308 38.323 38.460 0.284 0.000 0.984 494 Y HN 0.155 nan 8.280 nan 0.000 0.533 495 V N -0.411 119.683 119.914 0.299 0.000 2.546 495 V HA -0.277 3.845 4.120 0.002 0.000 0.254 495 V C 2.058 178.218 176.094 0.110 0.000 1.076 495 V CA 1.975 64.394 62.300 0.198 0.000 1.087 495 V CB -0.985 31.027 31.823 0.315 0.000 0.674 495 V HN 0.559 nan 8.190 nan 0.000 0.470 496 G N -0.909 107.965 108.800 0.124 0.000 3.502 496 G HA2 0.393 4.355 3.960 0.002 0.000 0.267 496 G HA3 0.393 4.355 3.960 0.002 0.000 0.267 496 G C 0.935 175.823 174.900 -0.020 0.000 1.090 496 G CA 0.426 45.545 45.100 0.033 0.000 0.795 496 G HN 0.654 nan 8.290 nan 0.000 0.535 497 I N -5.643 114.897 120.570 -0.051 0.000 5.080 497 I HA 0.484 4.656 4.170 0.002 0.000 0.356 497 I C -0.617 175.223 176.117 -0.462 0.000 1.231 497 I CA -0.539 60.603 61.300 -0.263 0.000 1.458 497 I CB 0.578 38.364 38.000 -0.356 0.000 1.672 497 I HN -0.108 nan 8.210 nan 0.000 0.568 498 Y N 1.449 121.750 120.300 0.002 0.000 2.570 498 Y HA 0.496 5.047 4.550 0.002 0.000 0.345 498 Y C -0.618 175.198 175.900 -0.139 0.000 1.014 498 Y CA -0.863 57.214 58.100 -0.038 0.000 1.063 498 Y CB 1.403 39.852 38.460 -0.018 0.000 1.272 498 Y HN -0.124 nan 8.280 nan 0.000 0.477 499 D N 1.821 122.272 120.400 0.086 0.000 2.558 499 D HA 0.238 4.879 4.640 0.002 0.000 0.221 499 D C 0.646 176.850 176.300 -0.159 0.000 1.143 499 D CA 0.378 54.354 54.000 -0.041 0.000 1.010 499 D CB -0.152 40.658 40.800 0.017 0.000 1.068 499 D HN 0.522 nan 8.370 nan 0.000 0.511 500 I N 1.176 121.472 120.570 -0.456 0.000 2.142 500 I HA -0.223 3.948 4.170 0.002 0.000 0.240 500 I C 1.313 177.121 176.117 -0.515 0.000 1.078 500 I CA 0.624 61.398 61.300 -0.878 0.000 1.343 500 I CB 0.008 37.389 38.000 -1.031 0.000 1.046 500 I HN 0.345 nan 8.210 nan 0.000 0.405 501 L N 1.423 122.352 121.223 -0.491 0.000 2.747 501 L HA 0.062 4.403 4.340 0.002 0.000 0.248 501 L C 0.925 177.673 176.870 -0.203 0.000 1.191 501 L CA 0.579 55.169 54.840 -0.416 0.000 1.003 501 L CB -1.609 40.153 42.059 -0.495 0.000 1.235 501 L HN 0.183 nan 8.230 nan 0.000 0.426 502 E N 0.392 120.526 120.200 -0.110 0.000 2.414 502 E HA 0.129 4.481 4.350 0.002 0.000 0.263 502 E C 1.221 177.811 176.600 -0.016 0.000 1.000 502 E CA 0.497 56.877 56.400 -0.034 0.000 0.914 502 E CB 0.373 30.096 29.700 0.037 0.000 0.948 502 E HN 0.419 nan 8.360 nan 0.000 0.444 503 G N 4.893 113.683 108.800 -0.016 0.000 2.439 503 G HA2 -0.302 3.660 3.960 0.002 0.000 0.305 503 G HA3 -0.302 3.660 3.960 0.002 0.000 0.305 503 G C 0.360 175.258 174.900 -0.003 0.000 0.966 503 G CA 0.797 45.894 45.100 -0.005 0.000 0.890 503 G HN 0.644 nan 8.290 nan 0.000 0.513 504 I N -0.693 119.862 120.570 -0.025 0.000 2.779 504 I HA 0.297 4.468 4.170 0.002 0.000 0.285 504 I C 0.920 177.040 176.117 0.005 0.000 1.134 504 I CA -0.688 60.603 61.300 -0.016 0.000 1.398 504 I CB 0.372 38.335 38.000 -0.062 0.000 1.404 504 I HN 0.085 nan 8.210 nan 0.000 0.587 505 K N 4.800 125.217 120.400 0.029 0.000 2.355 505 K HA 0.078 4.400 4.320 0.002 0.000 0.270 505 K C -0.788 175.840 176.600 0.048 0.000 1.003 505 K CA -0.449 55.861 56.287 0.039 0.000 0.957 505 K CB 0.226 32.758 32.500 0.054 0.000 0.939 505 K HN 0.485 nan 8.250 nan 0.000 0.482 506 D N 0.894 121.321 120.400 0.046 0.000 2.417 506 D HA 0.117 4.758 4.640 0.002 0.000 0.250 506 D C 1.236 177.583 176.300 0.078 0.000 1.166 506 D CA 1.030 55.064 54.000 0.057 0.000 0.881 506 D CB 0.912 41.741 40.800 0.048 0.000 1.164 506 D HN 0.770 nan 8.370 nan 0.000 0.467 507 G N 1.793 110.654 108.800 0.102 0.000 2.217 507 G HA2 -0.195 3.767 3.960 0.002 0.000 0.246 507 G HA3 -0.195 3.767 3.960 0.002 0.000 0.246 507 G C 0.820 175.806 174.900 0.144 0.000 0.990 507 G CA 0.019 45.193 45.100 0.124 0.000 0.627 507 G HN 0.839 nan 8.290 nan 0.000 0.522 508 G N 0.235 109.113 108.800 0.130 0.000 2.630 508 G HA2 0.526 4.487 3.960 0.002 0.000 0.236 508 G HA3 0.526 4.487 3.960 0.002 0.000 0.236 508 G C 0.539 175.559 174.900 0.199 0.000 1.248 508 G CA 1.232 46.420 45.100 0.146 0.000 0.844 508 G HN 1.524 nan 8.290 nan 0.000 0.588 509 T N -1.383 113.303 114.554 0.221 0.000 2.795 509 T HA 0.558 4.910 4.350 0.002 0.000 0.282 509 T C -0.806 174.032 174.700 0.230 0.000 0.980 509 T CA -0.757 61.508 62.100 0.274 0.000 1.012 509 T CB 1.224 70.232 68.868 0.234 0.000 0.936 509 T HN 0.450 nan 8.240 nan 0.000 0.457 510 F N 4.525 124.558 119.950 0.138 0.000 2.482 510 F HA 0.693 5.221 4.527 0.002 0.000 0.331 510 F C -1.139 174.746 175.800 0.142 0.000 1.115 510 F CA -1.859 56.169 58.000 0.047 0.000 0.955 510 F CB 1.575 40.650 39.000 0.126 0.000 1.136 510 F HN 0.611 nan 8.300 nan 0.000 0.452 511 V N 8.402 128.089 119.914 -0.379 0.000 2.495 511 V HA 0.722 4.843 4.120 0.002 0.000 0.298 511 V C -1.938 173.820 176.094 -0.560 0.000 1.031 511 V CA -0.642 61.416 62.300 -0.404 0.000 0.871 511 V CB 1.530 33.261 31.823 -0.153 0.000 0.988 511 V HN 0.839 nan 8.190 nan 0.000 0.432 512 L N 5.976 126.880 121.223 -0.531 0.000 2.362 512 L HA 0.586 4.927 4.340 0.002 0.000 0.271 512 L C -0.348 176.400 176.870 -0.205 0.000 1.002 512 L CA -0.127 54.514 54.840 -0.333 0.000 0.818 512 L CB 2.015 43.913 42.059 -0.269 0.000 1.298 512 L HN 0.799 nan 8.230 nan 0.000 0.420 513 N N 2.908 121.524 118.700 -0.140 0.000 2.457 513 N HA 0.598 5.340 4.740 0.002 0.000 0.250 513 N C -1.385 173.921 175.510 -0.341 0.000 0.982 513 N CA 0.005 52.947 53.050 -0.180 0.000 0.941 513 N CB 0.655 39.081 38.487 -0.101 0.000 1.120 513 N HN 0.791 nan 8.380 nan 0.000 0.505 514 S N 2.686 118.114 115.700 -0.453 0.000 2.587 514 S HA 0.440 4.911 4.470 0.002 0.000 0.269 514 S C -2.783 171.429 174.600 -0.648 0.000 1.154 514 S CA -0.817 56.880 58.200 -0.838 0.000 0.824 514 S CB 2.262 64.528 63.200 -1.556 0.000 1.118 514 S HN 0.405 nan 8.310 nan 0.000 0.462 515 P HA 0.249 nan 4.420 nan 0.000 0.262 515 P C -0.661 176.560 177.300 -0.132 0.000 1.304 515 P CA 0.072 62.973 63.100 -0.332 0.000 0.859 515 P CB -0.116 31.456 31.700 -0.213 0.000 1.310 516 W N 1.224 122.469 121.300 -0.091 0.000 1.864 516 W HA 0.300 4.961 4.660 0.002 0.000 0.425 516 W C 0.699 177.264 176.519 0.076 0.000 0.791 516 W CA -0.656 56.657 57.345 -0.055 0.000 1.650 516 W CB -0.920 28.466 29.460 -0.123 0.000 1.791 516 W HN -0.008 nan 8.180 nan 0.000 0.266 517 S N 0.939 116.788 115.700 0.248 0.000 2.425 517 S HA -0.082 4.390 4.470 0.002 0.000 0.225 517 S C 1.200 175.977 174.600 0.296 0.000 1.024 517 S CA 0.364 58.709 58.200 0.242 0.000 0.951 517 S CB 0.022 63.296 63.200 0.125 0.000 0.796 517 S HN 0.379 nan 8.310 nan 0.000 0.498 518 S N 2.152 118.008 115.700 0.260 0.000 2.565 518 S HA 0.326 4.797 4.470 0.002 0.000 0.274 518 S C 0.782 175.573 174.600 0.318 0.000 1.309 518 S CA -0.693 57.637 58.200 0.217 0.000 1.043 518 S CB 0.975 64.271 63.200 0.161 0.000 0.939 518 S HN 0.128 nan 8.310 nan 0.000 0.504 519 L N 1.683 123.054 121.223 0.246 0.000 2.263 519 L HA -0.081 4.261 4.340 0.002 0.000 0.216 519 L C 2.086 179.155 176.870 0.331 0.000 1.111 519 L CA 1.927 56.971 54.840 0.339 0.000 0.773 519 L CB -1.067 41.078 42.059 0.145 0.000 0.906 519 L HN 1.032 nan 8.230 nan 0.000 0.439 520 E N -0.551 119.787 120.200 0.231 0.000 1.998 520 E HA -0.229 4.123 4.350 0.002 0.000 0.195 520 E C 1.665 178.381 176.600 0.193 0.000 0.994 520 E CA 1.377 57.886 56.400 0.181 0.000 0.835 520 E CB -0.140 29.639 29.700 0.132 0.000 0.786 520 E HN 0.451 nan 8.360 nan 0.000 0.467 521 D N 0.335 120.854 120.400 0.197 0.000 2.191 521 D HA -0.231 4.411 4.640 0.002 0.000 0.195 521 D C 1.865 178.245 176.300 0.133 0.000 1.003 521 D CA 1.424 55.535 54.000 0.186 0.000 0.867 521 D CB -0.359 40.547 40.800 0.176 0.000 0.926 521 D HN 0.222 nan 8.370 nan 0.000 0.450 522 M N 0.726 120.484 119.600 0.263 0.000 2.213 522 M HA -0.126 4.355 4.480 0.002 0.000 0.263 522 M C 0.880 177.272 176.300 0.152 0.000 1.062 522 M CA 1.532 56.998 55.300 0.277 0.000 1.105 522 M CB -0.118 32.784 32.600 0.503 0.000 1.385 522 M HN -0.216 nan 8.290 nan 0.000 0.417 523 D N -0.480 120.040 120.400 0.200 0.000 2.194 523 D HA -0.098 4.544 4.640 0.002 0.000 0.204 523 D C 1.894 178.154 176.300 -0.067 0.000 0.964 523 D CA 0.902 54.952 54.000 0.083 0.000 0.846 523 D CB -0.235 40.678 40.800 0.188 0.000 0.962 523 D HN 0.471 nan 8.370 nan 0.000 0.490 524 K N -0.257 120.109 120.400 -0.057 0.000 2.103 524 K HA -0.132 4.190 4.320 0.002 0.000 0.204 524 K C 1.425 177.771 176.600 -0.425 0.000 1.052 524 K CA 1.153 57.320 56.287 -0.200 0.000 0.945 524 K CB 0.135 32.527 32.500 -0.179 0.000 0.722 524 K HN 0.170 nan 8.250 nan 0.000 0.443 525 H N -0.321 118.412 119.070 -0.562 0.000 2.388 525 H HA 0.100 4.658 4.556 0.002 0.000 0.304 525 H C -0.225 174.755 175.328 -0.579 0.000 1.049 525 H CA -0.026 55.536 56.048 -0.810 0.000 1.371 525 H CB -0.057 28.524 29.762 -1.969 0.000 1.436 525 H HN 0.012 nan 8.280 nan 0.000 0.544 526 L N 4.034 125.052 121.223 -0.342 0.000 2.562 526 L HA 0.127 4.469 4.340 0.002 0.000 0.271 526 L C -2.282 174.418 176.870 -0.283 0.000 1.167 526 L CA -1.700 53.010 54.840 -0.218 0.000 0.917 526 L CB 0.120 42.058 42.059 -0.203 0.000 1.187 526 L HN -0.004 nan 8.230 nan 0.000 0.482 527 P HA 0.021 nan 4.420 nan 0.000 0.271 527 P C 0.435 177.554 177.300 -0.301 0.000 1.233 527 P CA 0.311 63.276 63.100 -0.226 0.000 0.795 527 P CB 0.471 32.073 31.700 -0.164 0.000 0.936 528 S N -0.326 115.219 115.700 -0.259 0.000 2.387 528 S HA -0.076 4.395 4.470 0.002 0.000 0.226 528 S C 2.190 176.639 174.600 -0.253 0.000 1.026 528 S CA 1.131 59.163 58.200 -0.279 0.000 0.972 528 S CB -1.703 61.379 63.200 -0.196 0.000 0.814 528 S HN 0.557 nan 8.310 nan 0.000 0.477 529 G N 2.015 110.696 108.800 -0.198 0.000 2.440 529 G HA2 -0.118 3.843 3.960 0.002 0.000 0.218 529 G HA3 -0.118 3.843 3.960 0.002 0.000 0.218 529 G C 1.277 176.053 174.900 -0.206 0.000 1.154 529 G CA 1.166 46.163 45.100 -0.171 0.000 0.767 529 G HN 0.508 nan 8.290 nan 0.000 0.552 530 I N 0.827 121.250 120.570 -0.245 0.000 2.252 530 I HA -0.022 4.150 4.170 0.002 0.000 0.245 530 I C 2.634 178.544 176.117 -0.345 0.000 1.102 530 I CA 1.091 62.222 61.300 -0.281 0.000 1.385 530 I CB -0.295 37.551 38.000 -0.257 0.000 1.064 530 I HN 0.081 nan 8.210 nan 0.000 0.414 531 K N 0.295 120.408 120.400 -0.478 0.000 2.032 531 K HA -0.156 4.166 4.320 0.002 0.000 0.209 531 K C 2.221 178.669 176.600 -0.254 0.000 1.048 531 K CA 1.475 57.364 56.287 -0.664 0.000 0.927 531 K CB -0.235 31.570 32.500 -1.159 0.000 0.712 531 K HN 0.258 nan 8.250 nan 0.000 0.441 532 R N -0.023 120.350 120.500 -0.211 0.000 2.189 532 R HA -0.023 4.318 4.340 0.002 0.000 0.218 532 R C 2.081 178.332 176.300 -0.080 0.000 1.074 532 R CA 1.199 57.245 56.100 -0.091 0.000 0.991 532 R CB -0.096 30.149 30.300 -0.091 0.000 0.883 532 R HN 0.155 nan 8.270 nan 0.000 0.457 533 T N 0.814 115.288 114.554 -0.133 0.000 2.894 533 T HA 0.065 4.416 4.350 0.002 0.000 0.258 533 T C 1.836 176.468 174.700 -0.113 0.000 1.043 533 T CA 0.756 62.783 62.100 -0.122 0.000 1.141 533 T CB 0.037 68.803 68.868 -0.170 0.000 0.873 533 T HN 0.104 nan 8.240 nan 0.000 0.449 534 I N 1.452 121.922 120.570 -0.167 0.000 2.252 534 I HA -0.101 4.071 4.170 0.002 0.000 0.245 534 I C 2.901 178.885 176.117 -0.221 0.000 1.102 534 I CA 0.968 62.143 61.300 -0.209 0.000 1.385 534 I CB -0.429 37.351 38.000 -0.365 0.000 1.064 534 I HN 0.184 nan 8.210 nan 0.000 0.414 535 A N 1.122 123.860 122.820 -0.136 0.000 1.855 535 A HA -0.198 4.124 4.320 0.002 0.000 0.215 535 A C 2.053 179.704 177.584 0.113 0.000 1.191 535 A CA 2.026 54.098 52.037 0.059 0.000 0.613 535 A CB -1.008 18.117 19.000 0.208 0.000 0.829 535 A HN 0.439 nan 8.150 nan 0.000 0.442 536 N N -0.293 118.442 118.700 0.059 0.000 2.039 536 N HA -0.120 4.622 4.740 0.002 0.000 0.193 536 N C 1.240 176.783 175.510 0.055 0.000 1.044 536 N CA 1.300 54.382 53.050 0.053 0.000 0.847 536 N CB -0.178 38.322 38.487 0.022 0.000 1.030 536 N HN 0.348 nan 8.380 nan 0.000 0.422 537 K N 1.484 121.904 120.400 0.034 0.000 2.611 537 K HA 0.021 4.343 4.320 0.002 0.000 0.193 537 K C -0.556 176.095 176.600 0.085 0.000 1.026 537 K CA 0.301 56.614 56.287 0.043 0.000 1.063 537 K CB 0.029 32.538 32.500 0.015 0.000 0.839 537 K HN 0.193 nan 8.250 nan 0.000 0.505 538 K N 1.461 121.935 120.400 0.123 0.000 4.116 538 K HA -0.199 4.122 4.320 0.002 0.000 0.277 538 K C -0.536 176.193 176.600 0.215 0.000 0.835 538 K CA 0.400 56.806 56.287 0.197 0.000 0.740 538 K CB -1.500 31.093 32.500 0.155 0.000 1.714 538 K HN 0.255 nan 8.250 nan 0.000 0.433 539 L N 0.968 122.336 121.223 0.241 0.000 2.360 539 L HA 0.301 4.642 4.340 0.002 0.000 0.271 539 L C 0.683 177.798 176.870 0.407 0.000 1.057 539 L CA -0.902 54.101 54.840 0.271 0.000 0.803 539 L CB 0.951 43.145 42.059 0.225 0.000 1.207 539 L HN 0.114 nan 8.230 nan 0.000 0.445 540 K N 2.165 122.806 120.400 0.402 0.000 2.183 540 K HA 0.211 4.532 4.320 0.002 0.000 0.272 540 K C -0.830 176.143 176.600 0.622 0.000 1.113 540 K CA -0.246 56.323 56.287 0.471 0.000 0.949 540 K CB 0.169 32.966 32.500 0.494 0.000 1.365 540 K HN 0.223 nan 8.250 nan 0.000 0.420 541 F N 3.535 123.723 119.950 0.398 0.000 2.438 541 F HA 0.216 4.745 4.527 0.002 0.000 0.356 541 F C -0.819 175.102 175.800 0.201 0.000 1.099 541 F CA -0.709 57.494 58.000 0.338 0.000 1.185 541 F CB 0.251 39.481 39.000 0.383 0.000 1.115 541 F HN 0.310 nan 8.300 nan 0.000 0.526 542 Y N 4.195 124.227 120.300 -0.447 0.000 2.425 542 Y HA 0.339 4.890 4.550 0.002 0.000 0.344 542 Y C -0.295 175.169 175.900 -0.727 0.000 0.969 542 Y CA -1.121 56.714 58.100 -0.442 0.000 1.052 542 Y CB 1.828 40.189 38.460 -0.165 0.000 1.215 542 Y HN 0.615 nan 8.280 nan 0.000 0.451 543 N N 2.053 120.527 118.700 -0.376 0.000 2.269 543 N HA 0.714 5.456 4.740 0.002 0.000 0.304 543 N C -2.126 173.317 175.510 -0.112 0.000 1.072 543 N CA -0.529 52.325 53.050 -0.325 0.000 0.802 543 N CB 1.569 39.877 38.487 -0.299 0.000 1.348 543 N HN 0.574 nan 8.380 nan 0.000 0.484 544 I N 1.390 121.889 120.570 -0.118 0.000 2.644 544 I HA 0.287 4.459 4.170 0.002 0.000 0.291 544 I C -1.383 174.671 176.117 -0.106 0.000 1.180 544 I CA -0.520 60.739 61.300 -0.069 0.000 1.040 544 I CB 2.028 40.006 38.000 -0.037 0.000 1.255 544 I HN 0.564 nan 8.210 nan 0.000 0.422 545 D N 6.638 126.987 120.400 -0.084 0.000 2.845 545 D HA 0.295 4.936 4.640 0.002 0.000 0.235 545 D C 1.337 177.584 176.300 -0.088 0.000 1.158 545 D CA 0.627 54.562 54.000 -0.108 0.000 0.990 545 D CB 0.709 41.462 40.800 -0.077 0.000 1.094 545 D HN 0.732 nan 8.370 nan 0.000 0.486 546 A N 0.850 123.612 122.820 -0.095 0.000 1.954 546 A HA -0.259 4.063 4.320 0.002 0.000 0.222 546 A C 2.283 179.826 177.584 -0.069 0.000 1.199 546 A CA 1.761 53.751 52.037 -0.079 0.000 0.657 546 A CB -0.472 18.469 19.000 -0.098 0.000 0.823 546 A HN 0.400 nan 8.150 nan 0.000 0.463 547 V N -0.112 119.753 119.914 -0.081 0.000 2.307 547 V HA -0.261 3.861 4.120 0.002 0.000 0.245 547 V C 2.509 178.573 176.094 -0.049 0.000 1.045 547 V CA 2.384 64.645 62.300 -0.064 0.000 1.024 547 V CB -0.693 31.085 31.823 -0.074 0.000 0.651 547 V HN 0.724 nan 8.190 nan 0.000 0.449 548 K N 0.050 120.419 120.400 -0.051 0.000 2.009 548 K HA -0.207 4.115 4.320 0.002 0.000 0.210 548 K C 2.056 178.640 176.600 -0.027 0.000 1.049 548 K CA 1.969 58.236 56.287 -0.035 0.000 0.929 548 K CB -0.274 32.207 32.500 -0.032 0.000 0.714 548 K HN 0.319 nan 8.250 nan 0.000 0.440 549 I N 1.586 122.139 120.570 -0.029 0.000 2.286 549 I HA -0.219 3.952 4.170 0.002 0.000 0.248 549 I C 2.397 178.501 176.117 -0.023 0.000 1.115 549 I CA 1.439 62.727 61.300 -0.021 0.000 1.392 549 I CB -0.649 37.341 38.000 -0.017 0.000 1.065 549 I HN 0.253 nan 8.210 nan 0.000 0.418 550 A N -0.437 122.366 122.820 -0.029 0.000 1.877 550 A HA -0.204 4.117 4.320 0.002 0.000 0.216 550 A C 2.446 180.014 177.584 -0.027 0.000 1.186 550 A CA 2.442 54.462 52.037 -0.029 0.000 0.620 550 A CB -1.225 17.756 19.000 -0.032 0.000 0.822 550 A HN 0.402 nan 8.150 nan 0.000 0.443 551 T N 0.052 114.591 114.554 -0.025 0.000 2.821 551 T HA -0.099 4.253 4.350 0.002 0.000 0.267 551 T C 1.453 176.142 174.700 -0.019 0.000 1.046 551 T CA 1.567 63.655 62.100 -0.021 0.000 1.139 551 T CB -0.405 68.452 68.868 -0.018 0.000 0.871 551 T HN 0.467 nan 8.240 nan 0.000 0.454 552 D N 1.070 121.460 120.400 -0.018 0.000 2.117 552 D HA -0.084 4.557 4.640 0.002 0.000 0.197 552 D C 2.239 178.529 176.300 -0.017 0.000 0.987 552 D CA 1.032 55.024 54.000 -0.015 0.000 0.829 552 D CB -0.433 40.360 40.800 -0.011 0.000 0.961 552 D HN 0.427 nan 8.370 nan 0.000 0.460 553 V N -3.319 116.582 119.914 -0.021 0.000 3.217 553 V HA 0.337 4.459 4.120 0.002 0.000 0.264 553 V C 1.659 177.734 176.094 -0.033 0.000 1.135 553 V CA 1.185 63.469 62.300 -0.026 0.000 1.142 553 V CB -0.129 31.677 31.823 -0.030 0.000 0.754 553 V HN 0.285 nan 8.190 nan 0.000 0.484 554 G N 0.594 109.375 108.800 -0.031 0.000 2.259 554 G HA2 -0.246 3.715 3.960 0.002 0.000 0.217 554 G HA3 -0.246 3.715 3.960 0.002 0.000 0.217 554 G C 0.512 175.389 174.900 -0.038 0.000 1.001 554 G CA 0.154 45.234 45.100 -0.033 0.000 0.627 554 G HN 0.493 nan 8.290 nan 0.000 0.501 555 L N 2.244 123.440 121.223 -0.044 0.000 2.749 555 L HA 0.291 4.632 4.340 0.002 0.000 0.245 555 L C 1.897 178.748 176.870 -0.031 0.000 1.156 555 L CA 0.233 55.045 54.840 -0.047 0.000 0.890 555 L CB -0.914 41.112 42.059 -0.054 0.000 1.036 555 L HN 0.580 nan 8.230 nan 0.000 0.441 556 G N 0.809 109.593 108.800 -0.026 0.000 2.632 556 G HA2 -0.057 3.905 3.960 0.002 0.000 0.333 556 G HA3 -0.057 3.905 3.960 0.002 0.000 0.333 556 G C 1.137 176.027 174.900 -0.017 0.000 0.136 556 G CA 0.554 45.642 45.100 -0.020 0.000 1.181 556 G HN 0.668 nan 8.290 nan 0.000 0.530 557 G N 2.795 111.583 108.800 -0.020 0.000 3.079 557 G HA2 -0.291 3.670 3.960 0.002 0.000 0.214 557 G HA3 -0.291 3.670 3.960 0.002 0.000 0.214 557 G C 0.803 175.692 174.900 -0.018 0.000 1.335 557 G CA 0.325 45.415 45.100 -0.018 0.000 0.822 557 G HN 1.076 nan 8.290 nan 0.000 0.545 558 R N 1.869 122.362 120.500 -0.012 0.000 2.488 558 R HA 0.190 4.532 4.340 0.002 0.000 0.317 558 R C 1.667 177.957 176.300 -0.017 0.000 0.941 558 R CA 0.770 56.866 56.100 -0.006 0.000 1.076 558 R CB -0.592 29.709 30.300 0.002 0.000 0.917 558 R HN 0.928 nan 8.270 nan 0.000 0.407 559 I N -0.151 120.406 120.570 -0.022 0.000 3.956 559 I HA -0.001 4.171 4.170 0.002 0.000 0.333 559 I C 1.100 177.183 176.117 -0.055 0.000 1.302 559 I CA -0.120 61.153 61.300 -0.046 0.000 1.122 559 I CB -0.103 37.856 38.000 -0.068 0.000 1.013 559 I HN 0.302 nan 8.210 nan 0.000 0.405 560 N N 1.880 120.569 118.700 -0.018 0.000 2.104 560 N HA -0.275 4.466 4.740 0.002 0.000 0.190 560 N C 1.706 177.222 175.510 0.011 0.000 1.024 560 N CA 1.826 54.874 53.050 -0.003 0.000 0.853 560 N CB -0.479 38.030 38.487 0.036 0.000 1.008 560 N HN 0.266 nan 8.380 nan 0.000 0.424 561 M N 0.081 119.698 119.600 0.029 0.000 2.132 561 M HA 0.071 4.552 4.480 0.002 0.000 0.263 561 M C 1.508 177.837 176.300 0.048 0.000 1.065 561 M CA 1.148 56.481 55.300 0.055 0.000 1.122 561 M CB -0.246 32.378 32.600 0.040 0.000 1.365 561 M HN 0.214 nan 8.290 nan 0.000 0.411 562 I N -0.288 120.287 120.570 0.010 0.000 2.179 562 I HA -0.261 3.911 4.170 0.002 0.000 0.242 562 I C 2.045 178.169 176.117 0.013 0.000 1.088 562 I CA 1.363 62.668 61.300 0.007 0.000 1.357 562 I CB -1.432 36.554 38.000 -0.024 0.000 1.051 562 I HN 0.308 nan 8.210 nan 0.000 0.409 563 M N 0.022 119.588 119.600 -0.058 0.000 2.460 563 M HA -0.146 4.335 4.480 0.002 0.000 0.263 563 M C 2.116 178.484 176.300 0.112 0.000 1.071 563 M CA 1.177 56.427 55.300 -0.084 0.000 1.096 563 M CB -1.314 30.934 32.600 -0.587 0.000 1.408 563 M HN 0.281 nan 8.290 nan 0.000 0.463 564 Q N 0.188 120.053 119.800 0.109 0.000 2.187 564 Q HA -0.031 4.311 4.340 0.002 0.000 0.199 564 Q C 1.719 177.900 176.000 0.302 0.000 0.957 564 Q CA 1.716 57.630 55.803 0.185 0.000 0.857 564 Q CB -0.122 28.719 28.738 0.171 0.000 0.929 564 Q HN 0.423 nan 8.270 nan 0.000 0.453 565 T N 0.134 114.824 114.554 0.226 0.000 2.812 565 T HA 0.005 4.356 4.350 0.002 0.000 0.264 565 T C 1.743 176.533 174.700 0.150 0.000 1.042 565 T CA 1.139 63.364 62.100 0.208 0.000 1.140 565 T CB -0.537 68.403 68.868 0.120 0.000 0.870 565 T HN 0.434 nan 8.240 nan 0.000 0.445 566 A N 1.290 124.191 122.820 0.135 0.000 1.940 566 A HA -0.085 4.236 4.320 0.002 0.000 0.219 566 A C 1.999 179.654 177.584 0.118 0.000 1.176 566 A CA 1.541 53.644 52.037 0.110 0.000 0.631 566 A CB -0.969 18.119 19.000 0.148 0.000 0.814 566 A HN 0.496 nan 8.150 nan 0.000 0.446 567 F N -0.416 119.560 119.950 0.043 0.000 2.051 567 F HA -0.122 4.406 4.527 0.002 0.000 0.296 567 F C 1.833 177.447 175.800 -0.311 0.000 1.122 567 F CA 1.600 59.486 58.000 -0.189 0.000 1.201 567 F CB -0.598 38.353 39.000 -0.082 0.000 0.978 567 F HN 0.185 nan 8.300 nan 0.000 0.472 568 F N 1.027 120.778 119.950 -0.331 0.000 2.307 568 F HA -0.122 4.406 4.527 0.002 0.000 0.301 568 F C 2.451 177.967 175.800 -0.474 0.000 1.076 568 F CA 1.713 59.437 58.000 -0.460 0.000 1.383 568 F CB -0.702 38.199 39.000 -0.165 0.000 1.055 568 F HN 0.058 nan 8.300 nan 0.000 0.526 569 K N -0.800 119.449 120.400 -0.252 0.000 2.323 569 K HA 0.023 4.344 4.320 0.002 0.000 0.197 569 K C 1.192 177.559 176.600 -0.388 0.000 1.043 569 K CA 0.582 56.620 56.287 -0.414 0.000 0.997 569 K CB 0.231 32.480 32.500 -0.418 0.000 0.807 569 K HN 0.171 nan 8.250 nan 0.000 0.497 570 L N -0.524 120.475 121.223 -0.373 0.000 2.685 570 L HA 0.319 4.661 4.340 0.002 0.000 0.235 570 L C 1.948 178.624 176.870 -0.323 0.000 1.070 570 L CA 0.715 55.369 54.840 -0.310 0.000 0.888 570 L CB -0.139 41.751 42.059 -0.283 0.000 1.203 570 L HN 0.026 nan 8.230 nan 0.000 0.499 571 A N 0.323 122.739 122.820 -0.673 0.000 1.986 571 A HA 0.083 4.404 4.320 0.002 0.000 0.220 571 A C 1.796 179.182 177.584 -0.331 0.000 1.171 571 A CA 1.515 53.132 52.037 -0.699 0.000 0.640 571 A CB -1.065 17.169 19.000 -1.277 0.000 0.811 571 A HN 0.648 nan 8.150 nan 0.000 0.451 572 G N -1.799 106.811 108.800 -0.317 0.000 2.212 572 G HA2 -0.158 3.803 3.960 0.002 0.000 0.255 572 G HA3 -0.158 3.803 3.960 0.002 0.000 0.255 572 G C 0.803 175.620 174.900 -0.139 0.000 1.062 572 G CA 0.884 45.883 45.100 -0.168 0.000 0.815 572 G HN 1.689 nan 8.290 nan 0.000 0.497 573 V N -3.405 116.377 119.914 -0.220 0.000 3.125 573 V HA 0.666 4.788 4.120 0.002 0.000 0.249 573 V C 1.027 177.045 176.094 -0.126 0.000 1.113 573 V CA 0.950 63.144 62.300 -0.177 0.000 1.106 573 V CB 0.080 31.691 31.823 -0.353 0.000 0.768 573 V HN 0.468 nan 8.190 nan 0.000 0.468 574 L N 1.436 122.585 121.223 -0.124 0.000 2.409 574 L HA 0.597 4.939 4.340 0.002 0.000 0.262 574 L C -2.453 174.382 176.870 -0.059 0.000 0.992 574 L CA -1.919 52.880 54.840 -0.069 0.000 0.817 574 L CB 2.297 44.327 42.059 -0.050 0.000 1.350 574 L HN -0.001 nan 8.230 nan 0.000 0.411 575 P HA 0.013 nan 4.420 nan 0.000 0.272 575 P C 0.649 177.976 177.300 0.045 0.000 1.248 575 P CA -0.262 62.850 63.100 0.021 0.000 0.799 575 P CB 0.875 32.599 31.700 0.040 0.000 0.997 576 F N 0.630 120.559 119.950 -0.035 0.000 2.000 576 F HA -0.226 4.302 4.527 0.002 0.000 0.296 576 F C 2.329 178.100 175.800 -0.049 0.000 1.159 576 F CA 2.020 59.999 58.000 -0.034 0.000 1.183 576 F CB -0.912 38.075 39.000 -0.020 0.000 0.959 576 F HN 0.429 nan 8.300 nan 0.000 0.490 577 E N 0.142 120.520 120.200 0.297 0.000 1.927 577 E HA -0.373 3.979 4.350 0.002 0.000 0.221 577 E C 2.086 178.712 176.600 0.043 0.000 0.965 577 E CA 1.623 58.102 56.400 0.133 0.000 0.881 577 E CB -0.618 29.110 29.700 0.047 0.000 0.810 577 E HN 0.263 nan 8.360 nan 0.000 0.569 578 K N 0.569 120.971 120.400 0.002 0.000 2.127 578 K HA -0.389 3.933 4.320 0.002 0.000 0.222 578 K C 2.076 178.612 176.600 -0.107 0.000 1.034 578 K CA 2.260 58.520 56.287 -0.044 0.000 0.955 578 K CB -0.454 32.024 32.500 -0.036 0.000 0.786 578 K HN 0.287 nan 8.250 nan 0.000 0.465 579 A N 0.270 123.009 122.820 -0.134 0.000 1.852 579 A HA -0.220 4.101 4.320 0.002 0.000 0.217 579 A C 2.302 179.634 177.584 -0.420 0.000 1.215 579 A CA 2.653 54.502 52.037 -0.315 0.000 0.641 579 A CB -1.120 17.743 19.000 -0.228 0.000 0.838 579 A HN 0.256 nan 8.150 nan 0.000 0.450 580 V N 0.872 120.645 119.914 -0.236 0.000 2.317 580 V HA -0.315 3.807 4.120 0.002 0.000 0.251 580 V C 2.436 178.449 176.094 -0.135 0.000 1.065 580 V CA 2.557 64.762 62.300 -0.158 0.000 1.049 580 V CB -1.054 30.775 31.823 0.010 0.000 0.651 580 V HN 0.710 nan 8.190 nan 0.000 0.450 581 D N 0.057 120.396 120.400 -0.102 0.000 2.116 581 D HA -0.169 4.473 4.640 0.002 0.000 0.193 581 D C 1.856 178.090 176.300 -0.110 0.000 0.998 581 D CA 1.521 55.471 54.000 -0.082 0.000 0.836 581 D CB -0.115 40.646 40.800 -0.066 0.000 0.951 581 D HN 0.306 nan 8.370 nan 0.000 0.449 582 L N 0.518 121.643 121.223 -0.164 0.000 2.072 582 L HA 0.003 4.344 4.340 0.002 0.000 0.205 582 L C 2.601 179.374 176.870 -0.162 0.000 1.079 582 L CA 0.844 55.588 54.840 -0.160 0.000 0.752 582 L CB -1.009 40.937 42.059 -0.188 0.000 0.906 582 L HN 0.163 nan 8.230 nan 0.000 0.436 583 L N -0.782 120.269 121.223 -0.286 0.000 2.012 583 L HA -0.249 4.092 4.340 0.002 0.000 0.210 583 L C 2.653 179.515 176.870 -0.013 0.000 1.073 583 L CA 1.425 56.153 54.840 -0.186 0.000 0.748 583 L CB -0.232 41.665 42.059 -0.271 0.000 0.891 583 L HN 0.211 nan 8.230 nan 0.000 0.431 584 K N 0.157 120.550 120.400 -0.011 0.000 2.063 584 K HA -0.185 4.137 4.320 0.002 0.000 0.208 584 K C 2.049 178.746 176.600 0.161 0.000 1.048 584 K CA 1.258 57.598 56.287 0.089 0.000 0.928 584 K CB -0.322 32.209 32.500 0.051 0.000 0.713 584 K HN 0.302 nan 8.250 nan 0.000 0.442 585 K N 0.738 121.153 120.400 0.026 0.000 2.057 585 K HA -0.085 4.237 4.320 0.002 0.000 0.207 585 K C 2.195 178.859 176.600 0.105 0.000 1.049 585 K CA 1.653 57.938 56.287 -0.003 0.000 0.931 585 K CB -0.651 31.817 32.500 -0.054 0.000 0.714 585 K HN 0.289 nan 8.250 nan 0.000 0.440 586 S N 1.091 116.843 115.700 0.087 0.000 2.419 586 S HA -0.081 4.391 4.470 0.002 0.000 0.233 586 S C 2.159 176.853 174.600 0.157 0.000 1.016 586 S CA 0.818 59.077 58.200 0.098 0.000 0.974 586 S CB -0.614 62.637 63.200 0.084 0.000 0.786 586 S HN 0.227 nan 8.310 nan 0.000 0.492 587 I N 1.201 121.903 120.570 0.220 0.000 2.361 587 I HA -0.168 4.003 4.170 0.002 0.000 0.251 587 I C 2.406 178.651 176.117 0.214 0.000 1.133 587 I CA 1.523 62.971 61.300 0.248 0.000 1.413 587 I CB -0.477 37.617 38.000 0.156 0.000 1.073 587 I HN 0.338 nan 8.210 nan 0.000 0.424 588 H N 0.184 119.317 119.070 0.104 0.000 2.448 588 H HA -0.033 4.525 4.556 0.003 0.000 0.292 588 H C 2.091 177.459 175.328 0.066 0.000 1.035 588 H CA 0.821 56.919 56.048 0.083 0.000 1.349 588 H CB -0.101 29.686 29.762 0.043 0.000 1.425 588 H HN 0.179 nan 8.280 nan 0.000 0.539 589 K N 1.106 121.610 120.400 0.173 0.000 1.971 589 K HA -0.082 4.239 4.320 0.002 0.000 0.221 589 K C 1.134 177.751 176.600 0.028 0.000 1.050 589 K CA 1.105 57.438 56.287 0.076 0.000 0.967 589 K CB -0.278 32.249 32.500 0.046 0.000 0.733 589 K HN 0.242 nan 8.250 nan 0.000 0.445 590 A N -0.451 122.349 122.820 -0.033 0.000 2.346 590 A HA 0.262 4.583 4.320 0.002 0.000 0.255 590 A C -0.129 177.383 177.584 -0.120 0.000 1.113 590 A CA 0.193 52.102 52.037 -0.214 0.000 0.798 590 A CB -0.355 18.359 19.000 -0.477 0.000 1.073 590 A HN 0.552 nan 8.150 nan 0.000 0.502 591 Y N -1.361 118.937 120.300 -0.003 0.000 2.865 591 Y HA -0.324 4.228 4.550 0.002 0.000 0.468 591 Y C 2.083 177.974 175.900 -0.016 0.000 1.176 591 Y CA 1.601 59.690 58.100 -0.018 0.000 2.599 591 Y CB -1.875 36.562 38.460 -0.038 0.000 1.207 591 Y HN 2.180 nan 8.280 nan 0.000 0.627 592 G N 0.158 109.067 108.800 0.182 0.000 2.219 592 G HA2 -0.408 3.553 3.960 0.002 0.000 0.271 592 G HA3 -0.408 3.553 3.960 0.002 0.000 0.271 592 G C 0.726 175.664 174.900 0.063 0.000 0.991 592 G CA 1.777 46.928 45.100 0.084 0.000 0.685 592 G HN 0.911 nan 8.290 nan 0.000 0.531 593 K N -0.436 120.008 120.400 0.074 0.000 2.335 593 K HA 0.311 4.633 4.320 0.002 0.000 0.195 593 K C 1.314 177.937 176.600 0.038 0.000 1.058 593 K CA 0.726 57.043 56.287 0.050 0.000 0.988 593 K CB 0.146 32.676 32.500 0.049 0.000 0.880 593 K HN 0.180 nan 8.250 nan 0.000 0.513 594 K N 1.768 122.192 120.400 0.040 0.000 2.965 594 K HA 0.285 4.607 4.320 0.002 0.000 0.216 594 K C -0.187 176.412 176.600 -0.002 0.000 1.164 594 K CA 0.068 56.365 56.287 0.016 0.000 1.153 594 K CB 0.384 32.891 32.500 0.012 0.000 1.045 594 K HN 0.422 nan 8.250 nan 0.000 0.460 595 G N 1.517 110.319 108.800 0.003 0.000 2.939 595 G HA2 -0.275 3.687 3.960 0.002 0.000 0.278 595 G HA3 -0.275 3.687 3.960 0.002 0.000 0.278 595 G C 0.373 175.257 174.900 -0.026 0.000 1.487 595 G CA -0.619 44.478 45.100 -0.005 0.000 0.935 595 G HN 0.399 nan 8.290 nan 0.000 0.553 596 E N 0.117 120.301 120.200 -0.027 0.000 2.501 596 E HA -0.126 4.226 4.350 0.002 0.000 0.203 596 E C 2.129 178.688 176.600 -0.070 0.000 1.072 596 E CA 1.143 57.511 56.400 -0.053 0.000 0.885 596 E CB -0.132 29.554 29.700 -0.023 0.000 0.813 596 E HN 0.654 nan 8.360 nan 0.000 0.556 597 K N 0.974 121.341 120.400 -0.056 0.000 1.974 597 K HA -0.182 4.139 4.320 0.002 0.000 0.226 597 K C 1.879 178.421 176.600 -0.097 0.000 1.039 597 K CA 1.452 57.703 56.287 -0.061 0.000 1.022 597 K CB -0.137 32.336 32.500 -0.045 0.000 0.746 597 K HN -0.027 nan 8.250 nan 0.000 0.445 598 I N 1.747 122.247 120.570 -0.116 0.000 2.399 598 I HA -0.225 3.946 4.170 0.002 0.000 0.254 598 I C 2.487 178.444 176.117 -0.267 0.000 1.146 598 I CA 0.981 62.166 61.300 -0.191 0.000 1.412 598 I CB -1.126 36.743 38.000 -0.218 0.000 1.076 598 I HN 0.183 nan 8.210 nan 0.000 0.432 599 V N 1.215 120.993 119.914 -0.227 0.000 2.261 599 V HA -0.288 3.833 4.120 0.002 0.000 0.246 599 V C 2.639 178.608 176.094 -0.208 0.000 1.047 599 V CA 2.091 64.232 62.300 -0.264 0.000 1.015 599 V CB -0.763 30.887 31.823 -0.288 0.000 0.642 599 V HN 0.307 nan 8.190 nan 0.000 0.446 600 K N 0.403 120.717 120.400 -0.143 0.000 2.032 600 K HA -0.161 4.160 4.320 0.002 0.000 0.209 600 K C 2.045 178.593 176.600 -0.087 0.000 1.048 600 K CA 1.954 58.187 56.287 -0.090 0.000 0.927 600 K CB -0.508 31.956 32.500 -0.059 0.000 0.712 600 K HN 0.423 nan 8.250 nan 0.000 0.441 601 M N 0.130 119.666 119.600 -0.106 0.000 2.108 601 M HA -0.178 4.303 4.480 0.002 0.000 0.261 601 M C 1.678 177.914 176.300 -0.106 0.000 1.066 601 M CA 2.066 57.307 55.300 -0.098 0.000 1.107 601 M CB -0.550 31.983 32.600 -0.111 0.000 1.356 601 M HN 0.160 nan 8.290 nan 0.000 0.406 602 N N -0.394 118.210 118.700 -0.159 0.000 2.331 602 N HA -0.076 4.666 4.740 0.002 0.000 0.180 602 N C 1.533 177.003 175.510 -0.068 0.000 1.019 602 N CA 1.387 54.352 53.050 -0.142 0.000 0.881 602 N CB -0.186 38.151 38.487 -0.250 0.000 0.972 602 N HN 0.258 nan 8.380 nan 0.000 0.435 603 T N 0.159 114.672 114.554 -0.068 0.000 2.942 603 T HA -0.035 4.317 4.350 0.002 0.000 0.265 603 T C 0.894 175.590 174.700 -0.006 0.000 1.062 603 T CA 0.835 62.924 62.100 -0.018 0.000 1.139 603 T CB -0.115 68.745 68.868 -0.012 0.000 0.883 603 T HN 0.171 nan 8.240 nan 0.000 0.468 604 D N 1.493 121.879 120.400 -0.023 0.000 2.097 604 D HA 0.047 4.689 4.640 0.002 0.000 0.197 604 D C 2.402 178.698 176.300 -0.006 0.000 0.984 604 D CA 1.142 55.134 54.000 -0.013 0.000 0.826 604 D CB -0.516 40.270 40.800 -0.024 0.000 0.973 604 D HN 0.342 nan 8.370 nan 0.000 0.460 605 A N 0.797 123.608 122.820 -0.016 0.000 1.873 605 A HA -0.215 4.106 4.320 0.002 0.000 0.218 605 A C 2.561 180.154 177.584 0.015 0.000 1.193 605 A CA 1.935 53.968 52.037 -0.007 0.000 0.629 605 A CB -1.002 17.988 19.000 -0.017 0.000 0.826 605 A HN 0.153 nan 8.150 nan 0.000 0.447 606 V N 0.493 120.422 119.914 0.025 0.000 2.255 606 V HA -0.282 3.839 4.120 0.002 0.000 0.247 606 V C 2.281 178.404 176.094 0.049 0.000 1.051 606 V CA 2.467 64.794 62.300 0.046 0.000 1.018 606 V CB -0.917 30.938 31.823 0.053 0.000 0.641 606 V HN 0.517 nan 8.190 nan 0.000 0.445 607 D N -0.730 119.694 120.400 0.040 0.000 2.117 607 D HA -0.194 4.448 4.640 0.002 0.000 0.197 607 D C 2.212 178.536 176.300 0.040 0.000 0.987 607 D CA 1.398 55.424 54.000 0.043 0.000 0.829 607 D CB -0.222 40.597 40.800 0.031 0.000 0.961 607 D HN 0.528 nan 8.370 nan 0.000 0.460 608 Q N -0.275 119.541 119.800 0.027 0.000 2.297 608 Q HA -0.013 4.328 4.340 0.002 0.000 0.204 608 Q C 1.797 177.814 176.000 0.029 0.000 0.962 608 Q CA 0.984 56.801 55.803 0.022 0.000 0.879 608 Q CB 0.123 28.867 28.738 0.009 0.000 0.947 608 Q HN 0.205 nan 8.270 nan 0.000 0.462 609 A N -0.424 122.417 122.820 0.034 0.000 1.874 609 A HA -0.067 4.254 4.320 0.002 0.000 0.214 609 A C 2.117 179.735 177.584 0.058 0.000 1.189 609 A CA 1.033 53.094 52.037 0.039 0.000 0.615 609 A CB -0.596 18.428 19.000 0.040 0.000 0.830 609 A HN 0.256 nan 8.150 nan 0.000 0.443 610 V N 0.457 120.414 119.914 0.072 0.000 2.380 610 V HA -0.208 3.914 4.120 0.002 0.000 0.251 610 V C 1.959 178.122 176.094 0.115 0.000 1.063 610 V CA 2.250 64.614 62.300 0.107 0.000 1.055 610 V CB -1.132 30.779 31.823 0.146 0.000 0.657 610 V HN 0.566 nan 8.190 nan 0.000 0.455 611 T N -0.954 113.650 114.554 0.083 0.000 3.393 611 T HA 0.160 4.512 4.350 0.002 0.000 0.248 611 T C 1.152 175.885 174.700 0.056 0.000 0.992 611 T CA 0.700 62.841 62.100 0.069 0.000 0.929 611 T CB 0.062 68.958 68.868 0.047 0.000 1.065 611 T HN 0.430 nan 8.240 nan 0.000 0.597 612 S N 0.100 115.839 115.700 0.065 0.000 2.617 612 S HA 0.259 4.731 4.470 0.002 0.000 0.278 612 S C 0.190 174.836 174.600 0.077 0.000 1.082 612 S CA -0.434 57.798 58.200 0.053 0.000 1.228 612 S CB 0.532 63.754 63.200 0.036 0.000 1.130 612 S HN 0.248 nan 8.310 nan 0.000 0.621 613 L N 4.302 125.591 121.223 0.111 0.000 2.454 613 L HA 0.412 4.754 4.340 0.002 0.000 0.284 613 L C -0.413 176.603 176.870 0.244 0.000 1.139 613 L CA 0.822 55.776 54.840 0.190 0.000 0.911 613 L CB -0.494 41.655 42.059 0.151 0.000 1.262 613 L HN 0.279 nan 8.230 nan 0.000 0.453 614 Q N 2.642 122.539 119.800 0.162 0.000 2.347 614 Q HA 0.380 4.721 4.340 0.002 0.000 0.271 614 Q C -0.353 175.465 176.000 -0.303 0.000 1.064 614 Q CA -0.702 55.104 55.803 0.005 0.000 0.800 614 Q CB 2.250 30.974 28.738 -0.024 0.000 1.304 614 Q HN 0.449 nan 8.270 nan 0.000 0.438 615 E N 1.243 121.081 120.200 -0.602 0.000 2.481 615 E HA -0.032 4.320 4.350 0.002 0.000 0.263 615 E C -0.777 175.601 176.600 -0.371 0.000 0.992 615 E CA 0.379 56.261 56.400 -0.863 0.000 0.938 615 E CB 0.474 29.849 29.700 -0.543 0.000 0.933 615 E HN 0.365 nan 8.360 nan 0.000 0.453 616 F N 3.984 123.692 119.950 -0.403 0.000 2.406 616 F HA 0.119 4.647 4.527 0.002 0.000 0.358 616 F C 0.190 175.970 175.800 -0.034 0.000 1.161 616 F CA -0.841 57.050 58.000 -0.183 0.000 1.185 616 F CB 0.287 39.124 39.000 -0.272 0.000 1.421 616 F HN 0.015 nan 8.300 nan 0.000 0.576 617 K N 6.715 126.911 120.400 -0.342 0.000 2.382 617 K HA -0.001 4.320 4.320 0.002 0.000 0.286 617 K C -0.855 175.479 176.600 -0.444 0.000 1.062 617 K CA 0.218 56.262 56.287 -0.405 0.000 1.000 617 K CB -0.068 32.204 32.500 -0.379 0.000 0.954 617 K HN 0.648 nan 8.250 nan 0.000 0.470 618 Y N 2.342 122.481 120.300 -0.269 0.000 2.419 618 Y HA 0.615 5.166 4.550 0.002 0.000 0.328 618 Y C -2.063 173.483 175.900 -0.590 0.000 1.162 618 Y CA -3.040 54.663 58.100 -0.660 0.000 1.174 618 Y CB -0.270 37.496 38.460 -1.155 0.000 1.228 618 Y HN 0.421 nan 8.280 nan 0.000 0.473 619 P HA 0.084 nan 4.420 nan 0.000 0.274 619 P C -0.518 176.737 177.300 -0.075 0.000 1.256 619 P CA -0.076 62.864 63.100 -0.266 0.000 0.795 619 P CB 1.433 33.035 31.700 -0.162 0.000 1.038 620 D N -0.651 119.756 120.400 0.011 0.000 2.323 620 D HA -0.109 4.533 4.640 0.002 0.000 0.209 620 D C 1.676 178.072 176.300 0.160 0.000 0.973 620 D CA 0.826 54.886 54.000 0.101 0.000 0.874 620 D CB -0.160 40.673 40.800 0.054 0.000 0.930 620 D HN 0.292 nan 8.370 nan 0.000 0.521 621 S N -0.986 114.810 115.700 0.161 0.000 2.595 621 S HA -0.102 4.369 4.470 0.002 0.000 0.235 621 S C 1.298 176.114 174.600 0.360 0.000 0.974 621 S CA -0.064 58.263 58.200 0.211 0.000 0.942 621 S CB -0.556 62.758 63.200 0.189 0.000 0.766 621 S HN 0.322 nan 8.310 nan 0.000 0.536 622 W N 2.037 123.385 121.300 0.081 0.000 2.640 622 W HA 0.397 5.059 4.660 0.002 0.000 0.268 622 W C 2.030 178.554 176.519 0.008 0.000 1.263 622 W CA -0.903 56.467 57.345 0.042 0.000 1.344 622 W CB -0.381 29.110 29.460 0.051 0.000 1.093 622 W HN 0.296 nan 8.180 nan 0.000 0.603 623 K N 0.226 120.776 120.400 0.250 0.000 2.173 623 K HA -0.198 4.123 4.320 0.002 0.000 0.207 623 K C -0.327 176.318 176.600 0.075 0.000 1.046 623 K CA 1.831 58.199 56.287 0.135 0.000 0.929 623 K CB -0.432 32.136 32.500 0.114 0.000 0.720 623 K HN 0.246 nan 8.250 nan 0.000 0.453 624 D N -1.252 119.194 120.400 0.077 0.000 2.735 624 D HA 0.271 4.913 4.640 0.002 0.000 0.291 624 D C -1.055 175.254 176.300 0.015 0.000 1.205 624 D CA -0.449 53.569 54.000 0.030 0.000 0.777 624 D CB 0.882 41.700 40.800 0.030 0.000 1.234 624 D HN 0.043 nan 8.370 nan 0.000 0.520 625 A N 2.308 125.110 122.820 -0.030 0.000 2.409 625 A HA 0.521 4.843 4.320 0.002 0.000 0.262 625 A C -1.892 175.643 177.584 -0.083 0.000 1.113 625 A CA -1.157 50.831 52.037 -0.081 0.000 0.790 625 A CB 0.107 18.964 19.000 -0.239 0.000 1.046 625 A HN 0.366 nan 8.150 nan 0.000 0.496 626 P HA 0.166 nan 4.420 nan 0.000 0.264 626 P C -0.193 177.058 177.300 -0.081 0.000 1.193 626 P CA 0.324 63.389 63.100 -0.058 0.000 0.763 626 P CB 0.634 32.309 31.700 -0.042 0.000 0.810 627 A N 3.786 126.563 122.820 -0.072 0.000 2.366 627 A HA 0.253 4.574 4.320 0.002 0.000 0.272 627 A C 0.818 178.358 177.584 -0.073 0.000 1.135 627 A CA -0.595 51.394 52.037 -0.080 0.000 0.804 627 A CB -0.132 18.827 19.000 -0.068 0.000 1.064 627 A HN 0.652 nan 8.150 nan 0.000 0.499 628 E N 1.526 121.676 120.200 -0.084 0.000 2.369 628 E HA 0.396 4.747 4.350 0.002 0.000 0.255 628 E C -0.053 176.509 176.600 -0.064 0.000 1.172 628 E CA -0.220 56.134 56.400 -0.077 0.000 0.932 628 E CB 0.247 29.891 29.700 -0.092 0.000 1.040 628 E HN 0.575 nan 8.360 nan 0.000 0.454 629 T N -1.208 113.313 114.554 -0.056 0.000 2.909 629 T HA 0.258 4.609 4.350 0.002 0.000 0.286 629 T C 0.038 174.711 174.700 -0.045 0.000 1.002 629 T CA -1.149 60.923 62.100 -0.046 0.000 1.074 629 T CB 0.966 69.811 68.868 -0.038 0.000 0.984 629 T HN 0.575 nan 8.240 nan 0.000 0.495 630 K N 0.930 121.307 120.400 -0.039 0.000 2.322 630 K HA 0.547 4.868 4.320 0.002 0.000 0.283 630 K C 0.242 176.825 176.600 -0.028 0.000 1.042 630 K CA -0.752 55.514 56.287 -0.035 0.000 0.958 630 K CB 0.886 33.368 32.500 -0.031 0.000 0.984 630 K HN 0.638 nan 8.250 nan 0.000 0.473 631 A N 3.014 125.819 122.820 -0.026 0.000 2.574 631 A HA 0.083 4.404 4.320 0.002 0.000 0.283 631 A C -0.663 176.915 177.584 -0.010 0.000 1.270 631 A CA -0.605 51.420 52.037 -0.019 0.000 0.945 631 A CB -0.404 18.582 19.000 -0.023 0.000 1.127 631 A HN 0.875 nan 8.150 nan 0.000 0.522 632 E N 1.996 122.192 120.200 -0.007 0.000 2.417 632 E HA 0.390 4.742 4.350 0.002 0.000 0.261 632 E C -2.033 174.572 176.600 0.008 0.000 1.000 632 E CA -1.272 55.131 56.400 0.006 0.000 0.919 632 E CB -0.186 29.519 29.700 0.009 0.000 0.955 632 E HN 0.363 nan 8.360 nan 0.000 0.455 633 P HA 0.072 nan 4.420 nan 0.000 0.275 633 P C -0.334 176.970 177.300 0.007 0.000 1.266 633 P CA -0.726 62.384 63.100 0.016 0.000 0.793 633 P CB 0.630 32.347 31.700 0.029 0.000 1.074 634 M N 0.431 120.034 119.600 0.005 0.000 2.247 634 M HA 0.233 4.714 4.480 0.002 0.000 0.326 634 M C 0.157 176.415 176.300 -0.070 0.000 1.134 634 M CA 0.520 55.807 55.300 -0.021 0.000 1.136 634 M CB 1.111 33.708 32.600 -0.005 0.000 1.454 634 M HN 0.711 nan 8.290 nan 0.000 0.467 635 T N 2.427 116.862 114.554 -0.199 0.000 2.544 635 T HA 0.414 4.766 4.350 0.002 0.000 0.192 635 T C -0.905 173.510 174.700 -0.475 0.000 0.796 635 T CA -0.425 61.298 62.100 -0.628 0.000 1.371 635 T CB 0.611 68.880 68.868 -0.997 0.000 2.042 635 T HN 0.737 nan 8.240 nan 0.000 0.424 636 N N 1.373 119.784 118.700 -0.482 0.000 2.381 636 N HA 0.310 5.051 4.740 0.002 0.000 0.294 636 N C 0.776 176.279 175.510 -0.012 0.000 1.216 636 N CA -0.401 52.566 53.050 -0.137 0.000 0.803 636 N CB 1.800 40.282 38.487 -0.009 0.000 1.372 636 N HN 0.755 nan 8.380 nan 0.000 0.500 637 E N 0.668 120.891 120.200 0.039 0.000 2.150 637 E HA -0.176 4.175 4.350 0.002 0.000 0.193 637 E C 1.272 177.910 176.600 0.064 0.000 0.985 637 E CA 1.203 57.624 56.400 0.035 0.000 0.814 637 E CB -0.377 29.346 29.700 0.038 0.000 0.752 637 E HN 0.590 nan 8.360 nan 0.000 0.466 638 F N 0.823 120.767 119.950 -0.011 0.000 2.084 638 F HA -0.034 4.494 4.527 0.002 0.000 0.296 638 F C 2.185 178.001 175.800 0.027 0.000 1.111 638 F CA 1.204 59.205 58.000 0.001 0.000 1.224 638 F CB -0.524 38.501 39.000 0.043 0.000 0.991 638 F HN 0.003 nan 8.300 nan 0.000 0.471 639 F N 1.407 121.342 119.950 -0.025 0.000 2.046 639 F HA -0.200 4.328 4.527 0.002 0.000 0.297 639 F C 2.369 178.062 175.800 -0.179 0.000 1.123 639 F CA 2.137 60.069 58.000 -0.114 0.000 1.199 639 F CB -0.601 38.276 39.000 -0.205 0.000 0.972 639 F HN -0.159 nan 8.300 nan 0.000 0.474 640 K N -0.189 120.213 120.400 0.002 0.000 2.044 640 K HA -0.206 4.115 4.320 0.002 0.000 0.210 640 K C 1.519 178.011 176.600 -0.180 0.000 1.049 640 K CA 1.757 58.001 56.287 -0.072 0.000 0.927 640 K CB -0.364 32.117 32.500 -0.031 0.000 0.713 640 K HN 0.319 nan 8.250 nan 0.000 0.443 641 N N -0.194 118.384 118.700 -0.202 0.000 2.353 641 N HA -0.007 4.734 4.740 0.002 0.000 0.185 641 N C 1.167 176.459 175.510 -0.363 0.000 1.098 641 N CA 0.568 53.476 53.050 -0.237 0.000 0.872 641 N CB 0.892 39.274 38.487 -0.175 0.000 0.970 641 N HN 0.011 nan 8.380 nan 0.000 0.467 642 V N -0.740 118.850 119.914 -0.539 0.000 3.914 642 V HA 0.030 4.152 4.120 0.002 0.000 0.187 642 V C 1.953 177.759 176.094 -0.479 0.000 1.258 642 V CA 0.226 62.147 62.300 -0.632 0.000 1.298 642 V CB -0.485 30.639 31.823 -1.165 0.000 1.453 642 V HN -0.012 nan 8.190 nan 0.000 0.553 643 V N 1.079 120.655 119.914 -0.563 0.000 2.343 643 V HA -0.231 3.891 4.120 0.002 0.000 0.247 643 V C 2.426 178.220 176.094 -0.499 0.000 1.051 643 V CA 3.110 65.217 62.300 -0.323 0.000 1.036 643 V CB -0.456 31.319 31.823 -0.081 0.000 0.654 643 V HN 0.608 nan 8.190 nan 0.000 0.451 644 K N 1.463 121.330 120.400 -0.889 0.000 2.020 644 K HA -0.100 4.222 4.320 0.002 0.000 0.212 644 K C 0.058 176.462 176.600 -0.326 0.000 1.050 644 K CA 2.693 58.514 56.287 -0.776 0.000 0.929 644 K CB -1.773 30.313 32.500 -0.691 0.000 0.714 644 K HN 0.467 nan 8.250 nan 0.000 0.443 645 P HA -0.115 nan 4.420 nan 0.000 0.215 645 P C 1.196 178.456 177.300 -0.067 0.000 1.153 645 P CA 1.442 64.462 63.100 -0.133 0.000 0.853 645 P CB -0.015 31.603 31.700 -0.136 0.000 0.788 646 I N -1.349 119.180 120.570 -0.067 0.000 2.208 646 I HA -0.240 3.931 4.170 0.002 0.000 0.245 646 I C 2.239 178.376 176.117 0.033 0.000 1.097 646 I CA 1.413 62.720 61.300 0.012 0.000 1.363 646 I CB -0.667 37.367 38.000 0.057 0.000 1.051 646 I HN -0.078 nan 8.210 nan 0.000 0.413 647 L N 0.328 121.555 121.223 0.006 0.000 2.131 647 L HA -0.161 4.180 4.340 0.002 0.000 0.210 647 L C 2.038 179.004 176.870 0.161 0.000 1.092 647 L CA 1.649 56.535 54.840 0.076 0.000 0.759 647 L CB -0.840 41.245 42.059 0.044 0.000 0.903 647 L HN 0.412 nan 8.230 nan 0.000 0.435 648 T N -3.089 111.524 114.554 0.098 0.000 3.393 648 T HA 0.075 4.426 4.350 0.002 0.000 0.248 648 T C 0.456 175.285 174.700 0.214 0.000 0.992 648 T CA -0.407 61.796 62.100 0.171 0.000 0.929 648 T CB 0.051 68.936 68.868 0.028 0.000 1.065 648 T HN 0.261 nan 8.240 nan 0.000 0.597 649 Q N 0.571 120.474 119.800 0.171 0.000 2.451 649 Q HA -0.179 4.163 4.340 0.002 0.000 0.305 649 Q C 0.143 176.185 176.000 0.071 0.000 1.345 649 Q CA 0.635 56.496 55.803 0.097 0.000 0.854 649 Q CB -1.818 26.975 28.738 0.092 0.000 1.162 649 Q HN 0.663 nan 8.270 nan 0.000 0.440 650 Q N -2.066 117.764 119.800 0.050 0.000 2.140 650 Q HA 0.173 4.514 4.340 0.002 0.000 0.227 650 Q C 1.704 177.723 176.000 0.030 0.000 0.798 650 Q CA 0.717 56.539 55.803 0.031 0.000 0.987 650 Q CB 0.770 29.515 28.738 0.012 0.000 1.161 650 Q HN 0.475 nan 8.270 nan 0.000 0.480 651 G N 1.929 110.756 108.800 0.046 0.000 2.503 651 G HA2 -0.286 3.675 3.960 0.002 0.000 0.221 651 G HA3 -0.286 3.675 3.960 0.002 0.000 0.221 651 G C 1.068 176.029 174.900 0.102 0.000 1.131 651 G CA 1.094 46.249 45.100 0.091 0.000 0.756 651 G HN 0.297 nan 8.290 nan 0.000 0.572 652 D N 0.661 121.094 120.400 0.056 0.000 2.182 652 D HA -0.079 4.562 4.640 0.002 0.000 0.201 652 D C 2.269 178.602 176.300 0.055 0.000 0.986 652 D CA 0.939 54.969 54.000 0.050 0.000 0.847 652 D CB -0.101 40.713 40.800 0.023 0.000 0.942 652 D HN 0.376 nan 8.370 nan 0.000 0.467 653 K N 0.003 120.426 120.400 0.039 0.000 2.432 653 K HA -0.008 4.314 4.320 0.002 0.000 0.196 653 K C 0.367 176.978 176.600 0.019 0.000 1.038 653 K CA -0.204 56.097 56.287 0.022 0.000 0.986 653 K CB 0.248 32.751 32.500 0.004 0.000 0.782 653 K HN -0.015 nan 8.250 nan 0.000 0.485 654 L N 3.398 124.647 121.223 0.043 0.000 2.418 654 L HA 0.075 4.417 4.340 0.002 0.000 0.274 654 L C -1.845 175.069 176.870 0.073 0.000 1.135 654 L CA -1.913 52.935 54.840 0.013 0.000 0.870 654 L CB 0.091 42.170 42.059 0.033 0.000 1.154 654 L HN 0.012 nan 8.230 nan 0.000 0.462 655 P HA 0.065 nan 4.420 nan 0.000 0.274 655 P C 1.068 178.424 177.300 0.093 0.000 1.256 655 P CA -0.343 62.779 63.100 0.037 0.000 0.795 655 P CB 0.902 32.593 31.700 -0.015 0.000 1.038 656 V N -1.058 118.935 119.914 0.133 0.000 2.343 656 V HA -0.198 3.923 4.120 0.002 0.000 0.247 656 V C 2.298 178.471 176.094 0.132 0.000 1.051 656 V CA 2.351 64.778 62.300 0.211 0.000 1.036 656 V CB -2.464 29.428 31.823 0.116 0.000 0.654 656 V HN 0.673 nan 8.190 nan 0.000 0.451 657 S N 1.405 117.120 115.700 0.024 0.000 2.571 657 S HA 0.096 4.567 4.470 0.002 0.000 0.245 657 S C 1.762 176.298 174.600 -0.106 0.000 0.976 657 S CA 1.078 59.265 58.200 -0.022 0.000 0.954 657 S CB -0.606 62.576 63.200 -0.030 0.000 0.756 657 S HN 1.128 nan 8.310 nan 0.000 0.535 658 A N -0.046 122.625 122.820 -0.248 0.000 2.178 658 A HA 0.511 4.832 4.320 0.002 0.000 0.211 658 A C 0.278 177.444 177.584 -0.697 0.000 1.157 658 A CA -0.146 51.568 52.037 -0.538 0.000 0.780 658 A CB -0.189 18.328 19.000 -0.805 0.000 0.828 658 A HN 0.517 nan 8.150 nan 0.000 0.476 659 F N 0.015 119.953 119.950 -0.019 0.000 2.538 659 F HA 0.437 4.966 4.527 0.002 0.000 0.325 659 F C 0.221 176.010 175.800 -0.018 0.000 1.066 659 F CA -1.172 56.813 58.000 -0.024 0.000 0.946 659 F CB 1.023 40.033 39.000 0.017 0.000 1.199 659 F HN -0.083 nan 8.300 nan 0.000 0.473 660 E N 0.810 121.108 120.200 0.163 0.000 2.392 660 E HA 0.153 4.504 4.350 0.002 0.000 0.264 660 E C 0.760 177.434 176.600 0.122 0.000 1.024 660 E CA 0.141 56.601 56.400 0.099 0.000 0.903 660 E CB 1.332 31.073 29.700 0.068 0.000 0.963 660 E HN 0.794 nan 8.360 nan 0.000 0.432 661 A N 3.649 126.517 122.820 0.080 0.000 1.940 661 A HA -0.229 4.093 4.320 0.002 0.000 0.219 661 A C 1.331 178.962 177.584 0.080 0.000 1.176 661 A CA 2.064 54.138 52.037 0.060 0.000 0.631 661 A CB -0.298 18.726 19.000 0.040 0.000 0.814 661 A HN 0.609 nan 8.150 nan 0.000 0.446 662 D N -2.310 118.152 120.400 0.103 0.000 2.328 662 D HA 0.291 4.933 4.640 0.002 0.000 0.221 662 D C 1.120 177.537 176.300 0.196 0.000 1.072 662 D CA 0.752 54.831 54.000 0.131 0.000 0.850 662 D CB -0.728 40.134 40.800 0.103 0.000 0.922 662 D HN 0.780 nan 8.370 nan 0.000 0.516 663 G N 1.373 110.315 108.800 0.237 0.000 2.155 663 G HA2 -0.381 3.580 3.960 0.002 0.000 0.257 663 G HA3 -0.381 3.580 3.960 0.002 0.000 0.257 663 G C 0.354 175.460 174.900 0.342 0.000 0.983 663 G CA 0.298 45.606 45.100 0.346 0.000 0.676 663 G HN 0.788 nan 8.290 nan 0.000 0.528 664 R N -1.298 119.343 120.500 0.235 0.000 2.679 664 R HA 0.671 5.013 4.340 0.002 0.000 0.269 664 R C -0.648 175.792 176.300 0.234 0.000 1.076 664 R CA -0.225 56.018 56.100 0.237 0.000 1.160 664 R CB 0.507 30.888 30.300 0.135 0.000 1.054 664 R HN 0.084 nan 8.270 nan 0.000 0.507 665 F N 0.772 120.770 119.950 0.080 0.000 2.577 665 F HA 0.515 5.043 4.527 0.003 0.000 0.318 665 F C -1.819 173.935 175.800 -0.076 0.000 1.065 665 F CA -2.331 55.688 58.000 0.032 0.000 0.929 665 F CB 1.988 41.056 39.000 0.114 0.000 1.237 665 F HN 0.599 nan 8.300 nan 0.000 0.468 666 P HA 0.375 nan 4.420 nan 0.000 0.278 666 P C -1.199 176.122 177.300 0.035 0.000 1.258 666 P CA -0.393 62.622 63.100 -0.142 0.000 0.811 666 P CB 1.233 32.671 31.700 -0.437 0.000 1.063 667 L N 0.024 121.275 121.223 0.047 0.000 2.439 667 L HA 0.457 4.798 4.340 0.002 0.000 0.259 667 L C 1.742 178.683 176.870 0.117 0.000 1.129 667 L CA 1.020 55.916 54.840 0.094 0.000 0.803 667 L CB -0.521 41.586 42.059 0.079 0.000 1.161 667 L HN 0.853 nan 8.230 nan 0.000 0.462 668 G N -0.544 108.325 108.800 0.114 0.000 2.153 668 G HA2 -0.341 3.621 3.960 0.002 0.000 0.252 668 G HA3 -0.341 3.621 3.960 0.002 0.000 0.252 668 G C 0.892 175.917 174.900 0.208 0.000 0.994 668 G CA 0.879 46.040 45.100 0.101 0.000 0.698 668 G HN 0.867 nan 8.290 nan 0.000 0.521 669 T N -1.503 113.244 114.554 0.322 0.000 3.051 669 T HA 0.079 4.430 4.350 0.002 0.000 0.269 669 T C 2.440 177.418 174.700 0.462 0.000 1.127 669 T CA 1.870 64.289 62.100 0.531 0.000 1.107 669 T CB -0.283 68.955 68.868 0.616 0.000 0.898 669 T HN 1.302 nan 8.240 nan 0.000 0.517 670 S N 0.520 116.386 115.700 0.277 0.000 2.527 670 S HA 0.026 4.498 4.470 0.002 0.000 0.222 670 S C 1.911 176.654 174.600 0.237 0.000 0.985 670 S CA -0.268 58.097 58.200 0.276 0.000 0.921 670 S CB -0.305 63.042 63.200 0.246 0.000 0.772 670 S HN 0.355 nan 8.310 nan 0.000 0.529 671 Q N 0.421 120.206 119.800 -0.025 0.000 2.364 671 Q HA 0.044 4.386 4.340 0.002 0.000 0.209 671 Q C 0.641 176.205 176.000 -0.727 0.000 0.977 671 Q CA 1.090 56.681 55.803 -0.354 0.000 0.885 671 Q CB -0.405 27.843 28.738 -0.816 0.000 0.941 671 Q HN 0.827 nan 8.270 nan 0.000 0.464 672 F N -0.732 119.100 119.950 -0.197 0.000 2.706 672 F HA 0.205 4.734 4.527 0.003 0.000 0.308 672 F C 1.869 177.503 175.800 -0.278 0.000 1.095 672 F CA -0.347 57.384 58.000 -0.448 0.000 1.244 672 F CB 0.184 38.511 39.000 -1.121 0.000 1.063 672 F HN -0.024 nan 8.300 nan 0.000 0.582 673 E N 1.142 121.398 120.200 0.094 0.000 2.038 673 E HA -0.181 4.170 4.350 0.002 0.000 0.195 673 E C 0.412 177.058 176.600 0.077 0.000 1.000 673 E CA 0.998 57.527 56.400 0.216 0.000 0.803 673 E CB -0.125 29.722 29.700 0.246 0.000 0.750 673 E HN 0.003 nan 8.360 nan 0.000 0.448 674 K N 0.446 120.807 120.400 -0.064 0.000 3.356 674 K HA -0.279 4.042 4.320 0.002 0.000 0.270 674 K C 0.597 177.177 176.600 -0.033 0.000 0.901 674 K CA 0.635 56.846 56.287 -0.126 0.000 0.688 674 K CB -1.258 31.171 32.500 -0.119 0.000 1.460 674 K HN 0.311 nan 8.250 nan 0.000 0.458 675 R N 0.167 120.673 120.500 0.010 0.000 2.113 675 R HA -0.164 4.178 4.340 0.002 0.000 0.244 675 R C 1.329 177.654 176.300 0.042 0.000 1.142 675 R CA 1.395 57.530 56.100 0.059 0.000 0.953 675 R CB -0.242 30.111 30.300 0.089 0.000 0.860 675 R HN 0.634 nan 8.270 nan 0.000 0.438 676 G N 0.482 109.282 108.800 0.000 0.000 2.370 676 G HA2 -0.189 3.772 3.960 0.002 0.000 0.295 676 G HA3 -0.189 3.772 3.960 0.002 0.000 0.295 676 G C 0.361 175.278 174.900 0.029 0.000 1.045 676 G CA 0.314 45.415 45.100 0.001 0.000 1.199 676 G HN 0.380 nan 8.290 nan 0.000 0.513 677 V N -2.663 117.265 119.914 0.024 0.000 3.483 677 V HA 0.765 4.887 4.120 0.002 0.000 0.301 677 V C 1.328 177.431 176.094 0.015 0.000 1.389 677 V CA 0.611 62.936 62.300 0.042 0.000 1.101 677 V CB 0.054 31.916 31.823 0.066 0.000 0.971 677 V HN 1.707 nan 8.190 nan 0.000 0.434 678 A N 0.296 123.112 122.820 -0.006 0.000 2.371 678 A HA 0.713 5.035 4.320 0.002 0.000 0.257 678 A C 0.978 178.562 177.584 0.000 0.000 1.089 678 A CA -0.266 51.762 52.037 -0.015 0.000 0.794 678 A CB 0.560 19.541 19.000 -0.032 0.000 1.029 678 A HN 0.337 nan 8.150 nan 0.000 0.488 679 I N 0.668 121.239 120.570 0.001 0.000 2.385 679 I HA -0.006 4.165 4.170 0.002 0.000 0.244 679 I C 0.223 176.345 176.117 0.008 0.000 1.089 679 I CA 0.569 61.873 61.300 0.007 0.000 1.410 679 I CB -0.093 37.911 38.000 0.006 0.000 1.117 679 I HN 0.565 nan 8.210 nan 0.000 0.429 680 N N 1.049 119.752 118.700 0.005 0.000 2.269 680 N HA 0.460 5.201 4.740 0.002 0.000 0.304 680 N C -0.869 174.645 175.510 0.006 0.000 1.072 680 N CA -0.239 52.816 53.050 0.008 0.000 0.802 680 N CB 2.972 41.465 38.487 0.010 0.000 1.348 680 N HN -0.093 nan 8.380 nan 0.000 0.484 681 V N -1.120 118.801 119.914 0.012 0.000 2.960 681 V HA 0.751 4.873 4.120 0.002 0.000 0.315 681 V C -2.572 173.538 176.094 0.025 0.000 1.087 681 V CA -2.346 59.961 62.300 0.012 0.000 0.982 681 V CB 2.350 34.179 31.823 0.009 0.000 1.039 681 V HN 0.466 nan 8.190 nan 0.000 0.437 682 P HA 0.255 nan 4.420 nan 0.000 0.274 682 P C -1.338 176.005 177.300 0.073 0.000 1.231 682 P CA -0.144 62.987 63.100 0.052 0.000 0.790 682 P CB 1.154 32.886 31.700 0.053 0.000 0.951 683 Q N 2.163 122.018 119.800 0.092 0.000 2.325 683 Q HA 0.268 4.609 4.340 0.002 0.000 0.270 683 Q C -1.492 174.619 176.000 0.185 0.000 1.020 683 Q CA -0.800 55.071 55.803 0.115 0.000 0.785 683 Q CB 1.052 29.833 28.738 0.071 0.000 1.259 683 Q HN 0.403 nan 8.270 nan 0.000 0.452 684 W N 4.898 126.195 121.300 -0.005 0.000 2.266 684 W HA 0.344 5.005 4.660 0.002 0.000 0.317 684 W C -1.135 175.381 176.519 -0.004 0.000 1.310 684 W CA -0.376 56.966 57.345 -0.005 0.000 1.207 684 W CB 0.870 30.318 29.460 -0.021 0.000 1.199 684 W HN 0.385 nan 8.180 nan 0.000 0.544 685 V N 10.619 130.332 119.914 -0.335 0.000 2.235 685 V HA 0.121 4.242 4.120 0.002 0.000 0.266 685 V C -1.035 174.620 176.094 -0.733 0.000 1.055 685 V CA -1.272 60.785 62.300 -0.405 0.000 0.844 685 V CB 0.924 32.642 31.823 -0.174 0.000 1.097 685 V HN 0.525 nan 8.190 nan 0.000 0.453 686 P HA -0.201 nan 4.420 nan 0.000 0.217 686 P C 0.843 177.870 177.300 -0.456 0.000 1.148 686 P CA 1.318 63.746 63.100 -1.120 0.000 0.834 686 P CB 0.485 31.547 31.700 -1.063 0.000 0.783 687 E N -0.563 119.448 120.200 -0.314 0.000 2.516 687 E HA -0.045 4.307 4.350 0.002 0.000 0.199 687 E C 1.151 177.680 176.600 -0.118 0.000 1.069 687 E CA 0.630 56.929 56.400 -0.168 0.000 0.876 687 E CB -0.772 28.851 29.700 -0.128 0.000 0.843 687 E HN 0.537 nan 8.360 nan 0.000 0.530 688 N N -1.193 117.427 118.700 -0.134 0.000 2.211 688 N HA 0.079 4.821 4.740 0.002 0.000 0.216 688 N C -0.352 175.154 175.510 -0.006 0.000 1.240 688 N CA -0.310 52.704 53.050 -0.060 0.000 0.895 688 N CB 0.643 39.098 38.487 -0.053 0.000 1.102 688 N HN 0.041 nan 8.380 nan 0.000 0.498 689 C N 2.477 121.781 119.300 0.006 0.000 2.653 689 C HA 0.206 4.668 4.460 0.002 0.000 0.421 689 C C 1.752 176.826 174.990 0.140 0.000 1.334 689 C CA -0.398 58.733 59.018 0.188 0.000 1.885 689 C CB -0.919 27.117 27.740 0.493 0.000 2.645 689 C HN 0.451 nan 8.230 nan 0.000 0.601 690 I N 2.092 122.727 120.570 0.108 0.000 3.904 690 I HA 0.223 4.395 4.170 0.002 0.000 0.333 690 I C 0.750 176.835 176.117 -0.054 0.000 1.361 690 I CA -0.005 61.308 61.300 0.023 0.000 1.116 690 I CB -0.745 37.254 38.000 -0.002 0.000 1.028 690 I HN 0.848 nan 8.210 nan 0.000 0.398 691 Q N 0.916 120.695 119.800 -0.035 0.000 2.451 691 Q HA -0.235 4.107 4.340 0.002 0.000 0.305 691 Q C 1.325 177.078 176.000 -0.412 0.000 1.345 691 Q CA 0.698 56.218 55.803 -0.472 0.000 0.854 691 Q CB -2.185 26.027 28.738 -0.877 0.000 1.162 691 Q HN 0.951 nan 8.270 nan 0.000 0.440 692 C N -2.806 116.403 119.300 -0.152 0.000 2.563 692 C HA 0.169 4.631 4.460 0.002 0.000 0.268 692 C C 1.182 176.089 174.990 -0.138 0.000 1.365 692 C CA 0.588 59.519 59.018 -0.144 0.000 1.754 692 C CB -0.602 27.087 27.740 -0.086 0.000 1.932 692 C HN 0.849 nan 8.230 nan 0.000 0.536 693 N N 0.053 118.722 118.700 -0.051 0.000 2.863 693 N HA -0.266 4.476 4.740 0.002 0.000 0.245 693 N C 0.874 176.372 175.510 -0.020 0.000 1.001 693 N CA 1.102 54.133 53.050 -0.031 0.000 0.901 693 N CB -1.030 37.349 38.487 -0.180 0.000 1.124 693 N HN 0.744 nan 8.380 nan 0.000 0.582 694 Q N -0.268 119.513 119.800 -0.032 0.000 2.224 694 Q HA -0.135 4.207 4.340 0.002 0.000 0.203 694 Q C 2.540 178.573 176.000 0.055 0.000 0.970 694 Q CA 1.761 57.551 55.803 -0.022 0.000 0.865 694 Q CB -0.026 28.674 28.738 -0.063 0.000 0.922 694 Q HN 0.808 nan 8.270 nan 0.000 0.445 695 C N -0.693 118.632 119.300 0.041 0.000 2.429 695 C HA 0.093 4.554 4.460 0.002 0.000 0.277 695 C C 2.644 177.653 174.990 0.031 0.000 1.262 695 C CA 0.386 59.425 59.018 0.036 0.000 1.733 695 C CB -1.221 26.532 27.740 0.021 0.000 2.010 695 C HN 0.437 nan 8.230 nan 0.000 0.483 696 A N -0.509 122.326 122.820 0.025 0.000 2.067 696 A HA 0.108 4.429 4.320 0.002 0.000 0.217 696 A C 1.881 179.480 177.584 0.025 0.000 1.156 696 A CA 0.932 52.971 52.037 0.004 0.000 0.683 696 A CB -0.885 18.103 19.000 -0.021 0.000 0.808 696 A HN 0.627 nan 8.150 nan 0.000 0.455 697 F N -0.225 119.676 119.950 -0.082 0.000 2.325 697 F HA -0.027 4.501 4.527 0.003 0.000 0.299 697 F C 1.794 177.534 175.800 -0.100 0.000 1.090 697 F CA 1.377 59.326 58.000 -0.085 0.000 1.392 697 F CB 0.398 39.352 39.000 -0.077 0.000 1.053 697 F HN 0.040 nan 8.300 nan 0.000 0.521 698 V N -1.203 118.770 119.914 0.099 0.000 3.307 698 V HA -0.012 4.110 4.120 0.002 0.000 0.253 698 V C 1.071 177.127 176.094 -0.064 0.000 1.149 698 V CA 0.135 62.438 62.300 0.005 0.000 1.112 698 V CB -0.263 31.590 31.823 0.050 0.000 0.777 698 V HN 0.326 nan 8.190 nan 0.000 0.464 699 C N 3.751 123.024 119.300 -0.045 0.000 2.409 699 C HA 0.046 4.508 4.460 0.002 0.000 0.398 699 C C -0.416 174.534 174.990 -0.067 0.000 1.507 699 C CA -0.597 58.402 59.018 -0.031 0.000 1.460 699 C CB 0.085 27.818 27.740 -0.012 0.000 2.472 699 C HN 0.341 nan 8.230 nan 0.000 0.614 700 P HA 0.012 nan 4.420 nan 0.000 0.234 700 P C 0.057 177.216 177.300 -0.236 0.000 1.167 700 P CA 1.370 64.415 63.100 -0.092 0.000 0.763 700 P CB 0.063 31.786 31.700 0.038 0.000 0.835 701 H N -3.613 115.386 119.070 -0.118 0.000 3.367 701 H HA 0.283 4.840 4.556 0.002 0.000 0.257 701 H C 0.462 175.791 175.328 0.002 0.000 1.201 701 H CA -0.122 55.888 56.048 -0.063 0.000 1.102 701 H CB 0.059 29.831 29.762 0.018 0.000 1.656 701 H HN -0.204 nan 8.280 nan 0.000 0.662 702 S N 0.202 115.913 115.700 0.018 0.000 3.672 702 S HA -0.238 4.233 4.470 0.002 0.000 0.319 702 S C 1.200 175.897 174.600 0.162 0.000 1.151 702 S CA 0.492 58.688 58.200 -0.006 0.000 0.911 702 S CB -1.541 61.544 63.200 -0.191 0.000 0.939 702 S HN 0.668 nan 8.310 nan 0.000 0.524 703 A N 0.252 123.162 122.820 0.150 0.000 2.276 703 A HA 0.522 4.844 4.320 0.002 0.000 0.212 703 A C 0.561 178.171 177.584 0.044 0.000 1.230 703 A CA 0.282 52.392 52.037 0.120 0.000 0.844 703 A CB -0.101 18.939 19.000 0.066 0.000 0.860 703 A HN 0.680 nan 8.150 nan 0.000 0.486 704 I N 0.289 120.871 120.570 0.021 0.000 2.447 704 I HA 0.284 4.456 4.170 0.002 0.000 0.287 704 I C -1.127 174.964 176.117 -0.043 0.000 1.023 704 I CA -0.802 60.477 61.300 -0.034 0.000 1.083 704 I CB 2.134 40.104 38.000 -0.050 0.000 1.245 704 I HN 0.043 nan 8.210 nan 0.000 0.434 705 L N 9.696 130.877 121.223 -0.071 0.000 2.335 705 L HA 0.599 4.941 4.340 0.002 0.000 0.268 705 L C -2.557 174.240 176.870 -0.122 0.000 1.037 705 L CA -2.008 52.796 54.840 -0.060 0.000 0.895 705 L CB 0.512 42.560 42.059 -0.019 0.000 1.266 705 L HN 0.215 nan 8.230 nan 0.000 0.439 706 P HA 0.103 nan 4.420 nan 0.000 0.264 706 P C -1.089 176.178 177.300 -0.055 0.000 1.193 706 P CA 0.207 63.237 63.100 -0.118 0.000 0.763 706 P CB 0.819 32.574 31.700 0.091 0.000 0.810 707 V N 5.285 125.039 119.914 -0.266 0.000 2.540 707 V HA 0.454 4.575 4.120 0.002 0.000 0.302 707 V C -0.343 175.660 176.094 -0.151 0.000 1.035 707 V CA -0.540 61.668 62.300 -0.153 0.000 0.873 707 V CB 1.793 33.554 31.823 -0.103 0.000 0.992 707 V HN 0.306 nan 8.190 nan 0.000 0.428 708 L N 4.652 125.794 121.223 -0.135 0.000 2.406 708 L HA 0.930 5.272 4.340 0.002 0.000 0.270 708 L C -0.199 176.650 176.870 -0.036 0.000 0.982 708 L CA -0.049 54.707 54.840 -0.141 0.000 0.843 708 L CB 1.319 43.008 42.059 -0.617 0.000 1.225 708 L HN 0.836 nan 8.230 nan 0.000 0.412 709 A N 4.292 127.209 122.820 0.162 0.000 2.469 709 A HA 0.796 5.117 4.320 0.002 0.000 0.299 709 A C -1.016 176.744 177.584 0.294 0.000 1.098 709 A CA -0.841 51.330 52.037 0.223 0.000 0.737 709 A CB 1.339 20.446 19.000 0.179 0.000 1.312 709 A HN 0.595 nan 8.150 nan 0.000 0.414 710 K N 0.924 121.434 120.400 0.183 0.000 2.185 710 K HA 0.183 4.504 4.320 0.002 0.000 0.271 710 K C 1.021 177.642 176.600 0.035 0.000 1.013 710 K CA 0.218 56.506 56.287 0.002 0.000 0.943 710 K CB 1.074 33.535 32.500 -0.064 0.000 0.998 710 K HN 0.859 nan 8.250 nan 0.000 0.468 711 E N 1.945 122.144 120.200 -0.002 0.000 2.114 711 E HA -0.279 4.073 4.350 0.002 0.000 0.199 711 E C 0.423 177.046 176.600 0.039 0.000 1.008 711 E CA 1.364 57.782 56.400 0.030 0.000 0.810 711 E CB -0.050 29.652 29.700 0.005 0.000 0.739 711 E HN 0.453 nan 8.360 nan 0.000 0.456 712 E N 0.548 120.757 120.200 0.015 0.000 2.485 712 E HA -0.056 4.295 4.350 0.002 0.000 0.194 712 E C 0.876 177.498 176.600 0.037 0.000 1.098 712 E CA 0.439 56.851 56.400 0.020 0.000 0.878 712 E CB 0.261 29.962 29.700 0.002 0.000 0.939 712 E HN 0.538 nan 8.360 nan 0.000 0.503 713 E N -0.081 120.155 120.200 0.060 0.000 2.511 713 E HA 0.048 4.399 4.350 0.002 0.000 0.209 713 E C 0.229 176.905 176.600 0.128 0.000 0.986 713 E CA -0.003 56.441 56.400 0.073 0.000 0.974 713 E CB 0.465 30.207 29.700 0.070 0.000 1.030 713 E HN 0.018 nan 8.360 nan 0.000 0.490 714 L N 0.546 121.862 121.223 0.155 0.000 2.984 714 L HA 0.144 4.486 4.340 0.002 0.000 0.246 714 L C 1.120 178.069 176.870 0.131 0.000 1.268 714 L CA 0.096 55.065 54.840 0.215 0.000 1.054 714 L CB 0.591 42.801 42.059 0.252 0.000 1.393 714 L HN -0.022 nan 8.230 nan 0.000 0.532 715 V N 0.583 120.561 119.914 0.106 0.000 2.215 715 V HA -0.257 3.865 4.120 0.002 0.000 0.246 715 V C 2.140 178.257 176.094 0.038 0.000 1.047 715 V CA 2.329 64.666 62.300 0.062 0.000 0.999 715 V CB -1.027 30.826 31.823 0.051 0.000 0.635 715 V HN 0.614 nan 8.190 nan 0.000 0.450 716 G N -0.366 108.472 108.800 0.063 0.000 3.210 716 G HA2 0.364 4.326 3.960 0.002 0.000 0.220 716 G HA3 0.364 4.326 3.960 0.002 0.000 0.220 716 G C 0.478 175.277 174.900 -0.169 0.000 1.200 716 G CA 0.428 45.534 45.100 0.010 0.000 0.834 716 G HN 0.686 nan 8.290 nan 0.000 0.524 717 A N 0.918 123.563 122.820 -0.291 0.000 2.498 717 A HA 0.504 4.825 4.320 0.002 0.000 0.239 717 A C -1.745 175.505 177.584 -0.557 0.000 1.068 717 A CA -0.741 50.755 52.037 -0.902 0.000 0.766 717 A CB 0.246 19.009 19.000 -0.394 0.000 1.003 717 A HN 0.234 nan 8.150 nan 0.000 0.497 718 P HA 0.158 nan 4.420 nan 0.000 0.269 718 P C 0.980 178.237 177.300 -0.071 0.000 1.217 718 P CA 0.622 63.568 63.100 -0.258 0.000 0.783 718 P CB 0.596 32.174 31.700 -0.204 0.000 0.898 719 A N 2.815 125.615 122.820 -0.034 0.000 1.883 719 A HA -0.225 4.097 4.320 0.002 0.000 0.217 719 A C 1.510 179.118 177.584 0.039 0.000 1.186 719 A CA 2.126 54.165 52.037 0.003 0.000 0.624 719 A CB -1.531 17.467 19.000 -0.002 0.000 0.822 719 A HN 0.823 nan 8.150 nan 0.000 0.444 720 N N -2.178 116.553 118.700 0.052 0.000 2.370 720 N HA 0.061 4.802 4.740 0.002 0.000 0.198 720 N C 0.185 175.767 175.510 0.119 0.000 1.156 720 N CA -0.251 52.839 53.050 0.066 0.000 0.839 720 N CB -0.117 38.402 38.487 0.054 0.000 0.989 720 N HN 0.280 nan 8.380 nan 0.000 0.468 721 F N 3.100 123.029 119.950 -0.035 0.000 2.651 721 F HA 0.143 4.671 4.527 0.003 0.000 0.369 721 F C 0.052 175.877 175.800 0.042 0.000 1.187 721 F CA -0.375 57.617 58.000 -0.014 0.000 1.335 721 F CB -0.956 37.973 39.000 -0.117 0.000 1.707 721 F HN -0.105 nan 8.300 nan 0.000 0.637 722 T N 2.819 117.345 114.554 -0.046 0.000 2.867 722 T HA 0.433 4.784 4.350 0.002 0.000 0.297 722 T C 0.410 175.080 174.700 -0.050 0.000 0.989 722 T CA 0.292 62.369 62.100 -0.038 0.000 1.159 722 T CB 0.470 69.312 68.868 -0.043 0.000 0.928 722 T HN 0.531 nan 8.240 nan 0.000 0.538 723 A N 3.655 126.479 122.820 0.006 0.000 2.387 723 A HA 0.915 5.237 4.320 0.002 0.000 0.298 723 A C -0.987 176.677 177.584 0.133 0.000 1.165 723 A CA -0.883 51.202 52.037 0.079 0.000 0.814 723 A CB 1.222 20.265 19.000 0.070 0.000 1.357 723 A HN 0.757 nan 8.150 nan 0.000 0.443 724 L N 0.212 121.571 121.223 0.227 0.000 2.401 724 L HA 0.371 4.713 4.340 0.002 0.000 0.266 724 L C -0.427 176.574 176.870 0.217 0.000 0.991 724 L CA -0.569 54.396 54.840 0.209 0.000 0.818 724 L CB 2.202 44.429 42.059 0.280 0.000 1.321 724 L HN 0.811 nan 8.230 nan 0.000 0.413 725 E N 2.530 122.818 120.200 0.147 0.000 2.271 725 E HA 0.150 4.501 4.350 0.002 0.000 0.255 725 E C 0.168 176.860 176.600 0.154 0.000 1.177 725 E CA -0.324 56.157 56.400 0.135 0.000 0.946 725 E CB 0.675 30.427 29.700 0.087 0.000 1.009 725 E HN 0.586 nan 8.360 nan 0.000 0.451 726 A N 4.946 127.889 122.820 0.206 0.000 2.608 726 A HA -0.151 4.170 4.320 0.002 0.000 0.239 726 A C 0.066 177.715 177.584 0.107 0.000 1.018 726 A CA 0.704 52.859 52.037 0.196 0.000 0.766 726 A CB 0.090 19.248 19.000 0.264 0.000 0.928 726 A HN 0.518 nan 8.150 nan 0.000 0.512 727 K N 1.482 121.903 120.400 0.035 0.000 2.213 727 K HA 0.611 4.932 4.320 0.002 0.000 0.270 727 K C 0.180 176.781 176.600 0.002 0.000 1.002 727 K CA 0.418 56.710 56.287 0.008 0.000 0.868 727 K CB 1.645 34.127 32.500 -0.030 0.000 1.093 727 K HN 1.361 nan 8.250 nan 0.000 0.454 728 G N 1.830 110.644 108.800 0.023 0.000 2.306 728 G HA2 -0.104 3.857 3.960 0.002 0.000 0.340 728 G HA3 -0.104 3.857 3.960 0.002 0.000 0.340 728 G C 0.021 174.950 174.900 0.048 0.000 1.630 728 G CA -0.791 44.324 45.100 0.026 0.000 0.937 728 G HN 0.419 nan 8.290 nan 0.000 0.693 729 K N 0.315 120.737 120.400 0.037 0.000 2.059 729 K HA -0.146 4.175 4.320 0.002 0.000 0.212 729 K C 1.785 178.423 176.600 0.062 0.000 1.050 729 K CA 2.396 58.708 56.287 0.042 0.000 0.927 729 K CB 0.016 32.534 32.500 0.030 0.000 0.714 729 K HN 0.607 nan 8.250 nan 0.000 0.447 730 E N -0.173 120.070 120.200 0.072 0.000 2.479 730 E HA 0.094 4.446 4.350 0.002 0.000 0.193 730 E C 1.003 177.701 176.600 0.163 0.000 1.049 730 E CA 0.115 56.574 56.400 0.099 0.000 0.870 730 E CB 0.281 30.028 29.700 0.078 0.000 0.944 730 E HN 0.256 nan 8.360 nan 0.000 0.492 731 L N -0.165 121.159 121.223 0.168 0.000 2.906 731 L HA 0.256 4.597 4.340 0.002 0.000 0.255 731 L C 1.820 178.865 176.870 0.292 0.000 1.166 731 L CA -0.189 54.819 54.840 0.280 0.000 0.977 731 L CB 0.162 42.318 42.059 0.162 0.000 1.313 731 L HN 0.009 nan 8.230 nan 0.000 0.549 732 K N 1.497 121.997 120.400 0.167 0.000 2.127 732 K HA -0.238 4.084 4.320 0.002 0.000 0.212 732 K C 1.778 178.424 176.600 0.077 0.000 1.050 732 K CA 2.024 58.371 56.287 0.101 0.000 0.929 732 K CB -0.153 32.383 32.500 0.060 0.000 0.715 732 K HN 0.430 nan 8.250 nan 0.000 0.457 733 G N -1.053 107.761 108.800 0.022 0.000 2.777 733 G HA2 -0.014 3.948 3.960 0.002 0.000 0.211 733 G HA3 -0.014 3.948 3.960 0.002 0.000 0.211 733 G C 0.029 174.843 174.900 -0.143 0.000 1.149 733 G CA -0.036 44.999 45.100 -0.109 0.000 0.785 733 G HN 0.149 nan 8.290 nan 0.000 0.536 734 Y N 0.085 120.412 120.300 0.045 0.000 2.340 734 Y HA 0.537 5.089 4.550 0.002 0.000 0.327 734 Y C 0.631 176.588 175.900 0.095 0.000 1.321 734 Y CA -0.501 57.632 58.100 0.056 0.000 1.433 734 Y CB 0.814 39.295 38.460 0.035 0.000 1.373 734 Y HN -0.302 nan 8.280 nan 0.000 0.538 735 K N 1.367 121.949 120.400 0.305 0.000 2.323 735 K HA 0.295 4.616 4.320 0.002 0.000 0.259 735 K C -1.607 175.165 176.600 0.285 0.000 0.947 735 K CA -0.635 55.802 56.287 0.250 0.000 0.819 735 K CB 1.722 34.337 32.500 0.191 0.000 1.109 735 K HN 0.524 nan 8.250 nan 0.000 0.429 736 F N 2.502 122.544 119.950 0.153 0.000 2.425 736 F HA 0.533 5.062 4.527 0.002 0.000 0.331 736 F C -0.034 175.855 175.800 0.148 0.000 1.085 736 F CA -0.550 57.538 58.000 0.147 0.000 1.028 736 F CB 1.169 40.279 39.000 0.184 0.000 1.177 736 F HN 0.486 nan 8.300 nan 0.000 0.487 737 R N 5.960 125.931 120.500 -0.881 0.000 2.594 737 R HA 0.443 4.784 4.340 0.002 0.000 0.265 737 R C -2.325 173.130 176.300 -1.408 0.000 1.070 737 R CA -0.713 54.879 56.100 -0.847 0.000 0.909 737 R CB 1.286 31.292 30.300 -0.491 0.000 1.243 737 R HN 0.606 nan 8.270 nan 0.000 0.455 738 I N 3.985 123.337 120.570 -2.029 0.000 2.330 738 I HA 0.205 4.377 4.170 0.002 0.000 0.286 738 I C -0.363 175.249 176.117 -0.843 0.000 1.025 738 I CA -0.415 59.998 61.300 -1.479 0.000 1.197 738 I CB 1.165 37.986 38.000 -1.965 0.000 1.358 738 I HN 0.596 nan 8.210 nan 0.000 0.467 739 Q N 6.084 125.611 119.800 -0.454 0.000 2.360 739 Q HA 0.410 4.751 4.340 0.002 0.000 0.254 739 Q C -0.963 174.969 176.000 -0.114 0.000 0.975 739 Q CA -0.356 55.332 55.803 -0.192 0.000 0.912 739 Q CB 0.902 29.604 28.738 -0.060 0.000 1.212 739 Q HN 0.420 nan 8.270 nan 0.000 0.452 740 I N 3.879 124.414 120.570 -0.058 0.000 2.396 740 I HA 0.103 4.275 4.170 0.002 0.000 0.289 740 I C 0.564 176.678 176.117 -0.005 0.000 1.056 740 I CA 0.222 61.507 61.300 -0.025 0.000 1.365 740 I CB 0.785 38.789 38.000 0.007 0.000 1.407 740 I HN 0.640 nan 8.210 nan 0.000 0.509 741 N N 4.170 122.865 118.700 -0.009 0.000 3.050 741 N HA -0.030 4.712 4.740 0.002 0.000 0.289 741 N C 1.387 176.867 175.510 -0.049 0.000 1.209 741 N CA 0.161 53.194 53.050 -0.028 0.000 1.154 741 N CB 0.355 38.831 38.487 -0.018 0.000 1.444 741 N HN 0.822 nan 8.380 nan 0.000 0.529 742 T N 0.090 114.626 114.554 -0.030 0.000 2.721 742 T HA -0.238 4.113 4.350 0.002 0.000 0.268 742 T C 1.619 176.288 174.700 -0.051 0.000 1.038 742 T CA 1.020 63.104 62.100 -0.027 0.000 1.145 742 T CB -0.245 68.620 68.868 -0.005 0.000 0.858 742 T HN 0.408 nan 8.240 nan 0.000 0.459 743 L N 0.497 121.672 121.223 -0.080 0.000 2.240 743 L HA 0.056 4.398 4.340 0.002 0.000 0.211 743 L C 2.188 178.967 176.870 -0.152 0.000 1.106 743 L CA 1.172 55.952 54.840 -0.099 0.000 0.793 743 L CB -0.310 41.686 42.059 -0.105 0.000 0.927 743 L HN 0.254 nan 8.230 nan 0.000 0.446 744 D N -1.070 119.194 120.400 -0.225 0.000 2.367 744 D HA 0.008 4.649 4.640 0.002 0.000 0.207 744 D C 0.636 176.868 176.300 -0.113 0.000 1.034 744 D CA 0.137 53.973 54.000 -0.273 0.000 0.861 744 D CB 0.214 40.610 40.800 -0.674 0.000 0.943 744 D HN 0.216 nan 8.370 nan 0.000 0.515 745 C N 1.705 120.953 119.300 -0.088 0.000 2.653 745 C HA 0.094 4.555 4.460 0.002 0.000 0.421 745 C C 1.660 176.580 174.990 -0.117 0.000 1.334 745 C CA -0.273 58.703 59.018 -0.070 0.000 1.885 745 C CB -0.281 27.434 27.740 -0.041 0.000 2.645 745 C HN 0.157 nan 8.230 nan 0.000 0.601 746 M N 4.320 123.807 119.600 -0.189 0.000 2.428 746 M HA 0.193 4.674 4.480 0.002 0.000 0.239 746 M C 1.639 177.871 176.300 -0.114 0.000 1.121 746 M CA 0.938 56.109 55.300 -0.215 0.000 1.019 746 M CB -1.174 31.166 32.600 -0.434 0.000 1.485 746 M HN 1.178 nan 8.290 nan 0.000 0.484 747 G N 1.521 110.276 108.800 -0.074 0.000 2.314 747 G HA2 -0.287 3.675 3.960 0.002 0.000 0.292 747 G HA3 -0.287 3.675 3.960 0.002 0.000 0.292 747 G C 0.894 175.776 174.900 -0.030 0.000 1.059 747 G CA 0.400 45.478 45.100 -0.037 0.000 0.982 747 G HN 0.671 nan 8.290 nan 0.000 0.505 748 C N -2.314 116.967 119.300 -0.031 0.000 2.507 748 C HA 0.601 5.062 4.460 0.002 0.000 0.280 748 C C 2.472 177.462 174.990 -0.001 0.000 1.345 748 C CA 1.273 60.282 59.018 -0.016 0.000 1.736 748 C CB -0.409 27.324 27.740 -0.013 0.000 2.060 748 C HN 2.430 nan 8.230 nan 0.000 0.498 749 G N 1.097 109.900 108.800 0.004 0.000 2.179 749 G HA2 -0.270 3.692 3.960 0.002 0.000 0.220 749 G HA3 -0.270 3.692 3.960 0.002 0.000 0.220 749 G C 0.492 175.403 174.900 0.018 0.000 0.990 749 G CA 0.580 45.688 45.100 0.013 0.000 0.646 749 G HN 0.487 nan 8.290 nan 0.000 0.517 750 N N 0.329 119.039 118.700 0.017 0.000 2.025 750 N HA -0.169 4.573 4.740 0.002 0.000 0.194 750 N C 2.764 178.289 175.510 0.025 0.000 1.044 750 N CA 2.925 55.987 53.050 0.020 0.000 0.851 750 N CB -0.682 37.813 38.487 0.014 0.000 1.036 750 N HN 1.021 nan 8.380 nan 0.000 0.422 751 C N -0.016 119.299 119.300 0.025 0.000 2.386 751 C HA -0.033 4.428 4.460 0.002 0.000 0.279 751 C C 2.682 177.697 174.990 0.041 0.000 1.208 751 C CA 0.753 59.791 59.018 0.032 0.000 1.747 751 C CB -1.506 26.251 27.740 0.029 0.000 2.046 751 C HN 0.404 nan 8.230 nan 0.000 0.453 752 A N 1.410 124.255 122.820 0.042 0.000 1.917 752 A HA -0.260 4.061 4.320 0.002 0.000 0.219 752 A C 1.921 179.529 177.584 0.040 0.000 1.182 752 A CA 2.588 54.653 52.037 0.048 0.000 0.633 752 A CB -1.193 17.833 19.000 0.042 0.000 0.819 752 A HN 0.732 nan 8.150 nan 0.000 0.448 753 D N -1.565 118.855 120.400 0.033 0.000 2.264 753 D HA -0.067 4.574 4.640 0.002 0.000 0.208 753 D C 1.324 177.642 176.300 0.031 0.000 0.966 753 D CA 0.848 54.867 54.000 0.031 0.000 0.864 753 D CB -0.048 40.769 40.800 0.029 0.000 0.933 753 D HN 0.316 nan 8.370 nan 0.000 0.499 754 I N -0.134 120.455 120.570 0.032 0.000 3.854 754 I HA 0.136 4.307 4.170 0.002 0.000 0.312 754 I C 0.215 176.348 176.117 0.027 0.000 1.273 754 I CA -0.086 61.230 61.300 0.027 0.000 1.298 754 I CB -0.003 38.013 38.000 0.026 0.000 1.071 754 I HN 0.079 nan 8.210 nan 0.000 0.428 755 C N 3.896 123.220 119.300 0.040 0.000 2.409 755 C HA -0.040 4.422 4.460 0.002 0.000 0.398 755 C C -0.391 174.620 174.990 0.035 0.000 1.507 755 C CA -0.891 58.157 59.018 0.050 0.000 1.460 755 C CB -0.090 27.695 27.740 0.076 0.000 2.472 755 C HN 0.294 nan 8.230 nan 0.000 0.614 756 P HA -0.077 nan 4.420 nan 0.000 0.214 756 P C -1.734 175.574 177.300 0.013 0.000 1.169 756 P CA 1.408 64.514 63.100 0.010 0.000 0.908 756 P CB -1.108 30.591 31.700 -0.002 0.000 0.791 757 P HA -0.067 nan 4.420 nan 0.000 0.263 757 P C 0.736 178.045 177.300 0.015 0.000 1.195 757 P CA 0.501 63.610 63.100 0.016 0.000 0.762 757 P CB 0.793 32.506 31.700 0.022 0.000 0.799 758 K N 2.950 123.356 120.400 0.009 0.000 2.044 758 K HA -0.162 4.160 4.320 0.002 0.000 0.210 758 K C 0.556 177.161 176.600 0.008 0.000 1.049 758 K CA 1.232 57.524 56.287 0.008 0.000 0.927 758 K CB 0.072 32.575 32.500 0.004 0.000 0.713 758 K HN 0.435 nan 8.250 nan 0.000 0.443 759 E N 2.827 123.029 120.200 0.005 0.000 1.791 759 E HA 0.010 4.362 4.350 0.002 0.000 0.263 759 E C -0.619 175.984 176.600 0.006 0.000 1.213 759 E CA 0.064 56.464 56.400 0.000 0.000 0.991 759 E CB 0.613 30.308 29.700 -0.008 0.000 1.068 759 E HN 0.134 nan 8.360 nan 0.000 0.417 760 K N 0.816 121.225 120.400 0.015 0.000 2.569 760 K HA -0.085 4.236 4.320 0.002 0.000 0.280 760 K C 0.790 177.408 176.600 0.031 0.000 0.984 760 K CA 0.182 56.487 56.287 0.031 0.000 1.064 760 K CB 0.492 33.012 32.500 0.033 0.000 0.866 760 K HN 0.420 nan 8.250 nan 0.000 0.492 761 A N 3.884 126.747 122.820 0.071 0.000 2.308 761 A HA 0.187 4.509 4.320 0.002 0.000 0.217 761 A C 0.398 178.094 177.584 0.186 0.000 1.216 761 A CA 0.168 52.258 52.037 0.090 0.000 0.864 761 A CB 0.245 19.360 19.000 0.193 0.000 0.902 761 A HN 0.534 nan 8.150 nan 0.000 0.499 762 L N 0.538 121.850 121.223 0.149 0.000 2.406 762 L HA 0.553 4.894 4.340 0.002 0.000 0.272 762 L C -1.508 175.413 176.870 0.085 0.000 0.980 762 L CA -0.699 54.231 54.840 0.150 0.000 0.831 762 L CB 2.430 44.575 42.059 0.144 0.000 1.253 762 L HN -0.107 nan 8.230 nan 0.000 0.406 763 V N 3.704 123.661 119.914 0.072 0.000 2.577 763 V HA 0.407 4.529 4.120 0.002 0.000 0.303 763 V C 0.090 176.210 176.094 0.043 0.000 1.042 763 V CA -0.670 61.658 62.300 0.046 0.000 0.872 763 V CB 2.097 33.939 31.823 0.032 0.000 0.998 763 V HN 0.641 nan 8.190 nan 0.000 0.423 764 M N 4.912 124.533 119.600 0.034 0.000 2.246 764 M HA 0.356 4.838 4.480 0.002 0.000 0.350 764 M C -0.188 176.127 176.300 0.025 0.000 1.406 764 M CA 0.577 55.894 55.300 0.028 0.000 1.089 764 M CB 0.065 32.678 32.600 0.022 0.000 1.782 764 M HN 0.614 nan 8.290 nan 0.000 0.457 765 Q N 3.266 123.081 119.800 0.026 0.000 2.456 765 Q HA 0.564 4.906 4.340 0.002 0.000 0.283 765 Q C -2.486 173.527 176.000 0.022 0.000 1.084 765 Q CA -2.060 53.758 55.803 0.024 0.000 0.801 765 Q CB 1.451 30.205 28.738 0.027 0.000 1.434 765 Q HN 0.318 nan 8.270 nan 0.000 0.419 766 P HA -0.064 nan 4.420 nan 0.000 0.261 766 P C 0.894 178.208 177.300 0.023 0.000 1.183 766 P CA 0.012 63.124 63.100 0.021 0.000 0.761 766 P CB 0.373 32.087 31.700 0.023 0.000 0.785 767 L N 5.199 126.435 121.223 0.021 0.000 2.089 767 L HA -0.239 4.103 4.340 0.002 0.000 0.213 767 L C 1.281 178.168 176.870 0.027 0.000 1.079 767 L CA 2.332 57.184 54.840 0.021 0.000 0.758 767 L CB -1.234 40.836 42.059 0.018 0.000 0.891 767 L HN 0.366 nan 8.230 nan 0.000 0.433 768 D N -2.664 117.756 120.400 0.033 0.000 2.352 768 D HA -0.102 4.539 4.640 0.002 0.000 0.232 768 D C 1.437 177.759 176.300 0.036 0.000 1.055 768 D CA 0.917 54.941 54.000 0.040 0.000 0.891 768 D CB -0.550 40.281 40.800 0.052 0.000 0.897 768 D HN 0.545 nan 8.370 nan 0.000 0.529 769 T N -4.971 109.602 114.554 0.032 0.000 3.044 769 T HA 0.121 4.472 4.350 0.002 0.000 0.260 769 T C 1.370 176.088 174.700 0.031 0.000 1.019 769 T CA -0.275 61.843 62.100 0.030 0.000 0.921 769 T CB 0.328 69.213 68.868 0.028 0.000 1.053 769 T HN -0.049 nan 8.240 nan 0.000 0.533 770 Q N 0.882 120.700 119.800 0.031 0.000 2.342 770 Q HA 0.241 4.582 4.340 0.002 0.000 0.261 770 Q C 2.372 178.392 176.000 0.033 0.000 0.841 770 Q CA 0.303 56.126 55.803 0.035 0.000 0.969 770 Q CB 0.334 29.093 28.738 0.036 0.000 1.136 770 Q HN 0.710 nan 8.270 nan 0.000 0.528 771 R N 1.155 121.672 120.500 0.027 0.000 2.070 771 R HA -0.092 4.249 4.340 0.002 0.000 0.233 771 R C 0.963 177.277 176.300 0.024 0.000 1.137 771 R CA 1.699 57.812 56.100 0.023 0.000 0.945 771 R CB -0.515 29.796 30.300 0.019 0.000 0.845 771 R HN -0.040 nan 8.270 nan 0.000 0.430 772 D N 0.893 121.308 120.400 0.024 0.000 2.271 772 D HA -0.132 4.510 4.640 0.002 0.000 0.207 772 D C 1.626 177.942 176.300 0.026 0.000 0.983 772 D CA 1.746 55.759 54.000 0.021 0.000 0.878 772 D CB 0.108 40.919 40.800 0.020 0.000 0.920 772 D HN 0.565 nan 8.370 nan 0.000 0.479 773 A N -0.096 122.744 122.820 0.034 0.000 2.013 773 A HA 0.008 4.330 4.320 0.002 0.000 0.204 773 A C 1.988 179.609 177.584 0.062 0.000 1.262 773 A CA 0.108 52.171 52.037 0.044 0.000 0.800 773 A CB 0.273 19.299 19.000 0.045 0.000 0.909 773 A HN -0.072 nan 8.150 nan 0.000 0.472 774 Q N -0.059 119.776 119.800 0.059 0.000 2.398 774 Q HA 0.077 4.419 4.340 0.002 0.000 0.204 774 Q C 2.069 178.106 176.000 0.061 0.000 0.932 774 Q CA 0.789 56.636 55.803 0.073 0.000 0.916 774 Q CB -0.250 28.525 28.738 0.062 0.000 1.024 774 Q HN 0.432 nan 8.270 nan 0.000 0.504 775 V N 1.804 121.742 119.914 0.040 0.000 2.237 775 V HA -0.188 3.934 4.120 0.002 0.000 0.245 775 V C -0.721 175.397 176.094 0.040 0.000 1.046 775 V CA 2.007 64.322 62.300 0.025 0.000 1.007 775 V CB -1.519 30.311 31.823 0.012 0.000 0.638 775 V HN 0.200 nan 8.190 nan 0.000 0.445 776 P HA -0.127 nan 4.420 nan 0.000 0.215 776 P C 1.285 178.638 177.300 0.088 0.000 1.153 776 P CA 1.624 64.754 63.100 0.050 0.000 0.853 776 P CB -0.209 31.511 31.700 0.032 0.000 0.788 777 N N -0.714 118.061 118.700 0.124 0.000 2.205 777 N HA -0.145 4.597 4.740 0.002 0.000 0.186 777 N C 1.647 177.316 175.510 0.265 0.000 1.015 777 N CA 0.363 53.559 53.050 0.243 0.000 0.862 777 N CB -0.438 38.232 38.487 0.306 0.000 0.986 777 N HN 0.065 nan 8.380 nan 0.000 0.429 778 L N 1.534 122.848 121.223 0.153 0.000 2.044 778 L HA -0.094 4.248 4.340 0.002 0.000 0.205 778 L C 1.653 178.570 176.870 0.078 0.000 1.075 778 L CA 1.864 56.769 54.840 0.108 0.000 0.747 778 L CB -0.611 41.475 42.059 0.045 0.000 0.903 778 L HN 0.029 nan 8.230 nan 0.000 0.435 779 E N -0.447 119.788 120.200 0.059 0.000 2.097 779 E HA -0.291 4.061 4.350 0.002 0.000 0.196 779 E C 1.914 178.524 176.600 0.018 0.000 1.000 779 E CA 1.838 58.256 56.400 0.030 0.000 0.804 779 E CB -0.608 29.111 29.700 0.032 0.000 0.740 779 E HN 0.591 nan 8.360 nan 0.000 0.454 780 Y N 0.543 120.792 120.300 -0.084 0.000 2.114 780 Y HA -0.215 4.337 4.550 0.002 0.000 0.284 780 Y C 2.191 178.002 175.900 -0.147 0.000 1.143 780 Y CA 1.732 59.722 58.100 -0.183 0.000 1.135 780 Y CB -0.743 37.486 38.460 -0.384 0.000 0.980 780 Y HN 0.047 nan 8.280 nan 0.000 0.499 781 A N 0.599 123.441 122.820 0.036 0.000 1.997 781 A HA -0.274 4.047 4.320 0.002 0.000 0.221 781 A C 2.402 179.956 177.584 -0.050 0.000 1.172 781 A CA 2.207 54.297 52.037 0.089 0.000 0.645 781 A CB -1.575 17.561 19.000 0.227 0.000 0.813 781 A HN 0.660 nan 8.150 nan 0.000 0.454 782 A N -0.307 122.474 122.820 -0.066 0.000 1.902 782 A HA -0.181 4.140 4.320 0.002 0.000 0.217 782 A C 2.222 179.734 177.584 -0.120 0.000 1.181 782 A CA 1.512 53.507 52.037 -0.070 0.000 0.623 782 A CB -0.462 18.509 19.000 -0.050 0.000 0.818 782 A HN 0.587 nan 8.150 nan 0.000 0.443 783 R N -0.623 119.750 120.500 -0.211 0.000 2.148 783 R HA 0.010 4.352 4.340 0.002 0.000 0.227 783 R C -0.061 176.109 176.300 -0.218 0.000 1.103 783 R CA 0.374 56.335 56.100 -0.232 0.000 0.983 783 R CB -0.347 29.751 30.300 -0.336 0.000 0.874 783 R HN 0.349 nan 8.270 nan 0.000 0.451 784 I N 3.532 123.957 120.570 -0.242 0.000 2.578 784 I HA 0.068 4.240 4.170 0.002 0.000 0.286 784 I C -2.025 174.042 176.117 -0.083 0.000 1.126 784 I CA -2.566 58.647 61.300 -0.145 0.000 1.380 784 I CB -0.199 37.756 38.000 -0.075 0.000 1.408 784 I HN -0.221 nan 8.210 nan 0.000 0.532 785 P HA -0.013 nan 4.420 nan 0.000 0.266 785 P C -0.278 176.987 177.300 -0.059 0.000 1.193 785 P CA -0.093 62.976 63.100 -0.052 0.000 0.770 785 P CB 0.504 32.182 31.700 -0.038 0.000 0.836 786 V N 4.843 124.725 119.914 -0.053 0.000 2.455 786 V HA 0.049 4.170 4.120 0.002 0.000 0.273 786 V C 0.900 176.940 176.094 -0.090 0.000 1.045 786 V CA -0.069 62.195 62.300 -0.060 0.000 0.976 786 V CB 0.217 32.027 31.823 -0.022 0.000 0.993 786 V HN 0.391 nan 8.190 nan 0.000 0.475 787 K N 3.861 124.144 120.400 -0.194 0.000 2.155 787 K HA 0.118 4.439 4.320 0.002 0.000 0.240 787 K C 1.230 177.743 176.600 -0.145 0.000 1.193 787 K CA 0.154 56.292 56.287 -0.248 0.000 1.104 787 K CB 0.242 32.423 32.500 -0.531 0.000 1.558 787 K HN 0.834 nan 8.250 nan 0.000 0.313 788 S N -0.586 115.085 115.700 -0.047 0.000 2.593 788 S HA 0.031 4.502 4.470 0.002 0.000 0.217 788 S C 1.372 175.977 174.600 0.009 0.000 0.966 788 S CA 0.067 58.273 58.200 0.011 0.000 0.914 788 S CB 0.264 63.469 63.200 0.009 0.000 0.776 788 S HN 0.354 nan 8.310 nan 0.000 0.523 789 E N 1.093 121.286 120.200 -0.011 0.000 2.251 789 E HA 0.173 4.525 4.350 0.002 0.000 0.194 789 E C 1.865 178.469 176.600 0.007 0.000 0.964 789 E CA 0.475 56.878 56.400 0.005 0.000 0.868 789 E CB -0.297 29.407 29.700 0.008 0.000 0.828 789 E HN 0.223 nan 8.360 nan 0.000 0.481 790 V N 0.291 120.189 119.914 -0.026 0.000 2.220 790 V HA -0.194 3.928 4.120 0.002 0.000 0.250 790 V C 0.891 177.000 176.094 0.025 0.000 1.056 790 V CA 1.548 63.832 62.300 -0.027 0.000 1.016 790 V CB -0.064 31.653 31.823 -0.177 0.000 0.639 790 V HN 0.094 nan 8.190 nan 0.000 0.446 791 L N -0.380 120.881 121.223 0.062 0.000 2.331 791 L HA 0.478 4.819 4.340 0.002 0.000 0.268 791 L C -2.203 174.704 176.870 0.062 0.000 1.015 791 L CA -2.099 52.790 54.840 0.082 0.000 0.807 791 L CB 0.955 43.099 42.059 0.141 0.000 1.293 791 L HN 0.084 nan 8.230 nan 0.000 0.451 792 P HA 0.043 nan 4.420 nan 0.000 0.268 792 P C -0.085 177.226 177.300 0.019 0.000 1.208 792 P CA 0.006 63.121 63.100 0.025 0.000 0.777 792 P CB 0.605 32.314 31.700 0.016 0.000 0.875 793 R N 2.070 122.572 120.500 0.004 0.000 2.119 793 R HA -0.084 4.257 4.340 0.002 0.000 0.222 793 R C 0.624 176.894 176.300 -0.050 0.000 1.088 793 R CA 1.354 57.441 56.100 -0.022 0.000 0.984 793 R CB -0.104 30.171 30.300 -0.041 0.000 0.884 793 R HN 0.528 nan 8.270 nan 0.000 0.447 794 D N -0.078 120.298 120.400 -0.040 0.000 2.358 794 D HA -0.014 4.627 4.640 0.002 0.000 0.224 794 D C -0.253 176.038 176.300 -0.015 0.000 1.123 794 D CA -0.253 53.721 54.000 -0.044 0.000 0.833 794 D CB 0.251 41.032 40.800 -0.031 0.000 0.946 794 D HN 0.077 nan 8.370 nan 0.000 0.505 795 S N -0.917 114.775 115.700 -0.014 0.000 2.617 795 S HA 0.315 4.786 4.470 0.002 0.000 0.283 795 S C 1.197 175.774 174.600 -0.039 0.000 1.189 795 S CA -0.971 57.214 58.200 -0.026 0.000 1.036 795 S CB 2.008 65.191 63.200 -0.028 0.000 1.014 795 S HN 0.149 nan 8.310 nan 0.000 0.522 796 L N 1.281 122.448 121.223 -0.093 0.000 1.956 796 L HA -0.183 4.158 4.340 0.002 0.000 0.216 796 L C 2.713 179.488 176.870 -0.159 0.000 1.073 796 L CA 2.033 56.761 54.840 -0.187 0.000 0.762 796 L CB -0.434 41.450 42.059 -0.292 0.000 0.889 796 L HN 0.976 nan 8.230 nan 0.000 0.433 797 K N -0.833 119.454 120.400 -0.188 0.000 2.057 797 K HA -0.123 4.198 4.320 0.002 0.000 0.206 797 K C 1.908 178.296 176.600 -0.352 0.000 1.050 797 K CA 1.252 57.368 56.287 -0.284 0.000 0.935 797 K CB -0.340 32.006 32.500 -0.257 0.000 0.715 797 K HN 0.512 nan 8.250 nan 0.000 0.439 798 G N 0.673 109.379 108.800 -0.157 0.000 2.446 798 G HA2 -0.322 3.640 3.960 0.002 0.000 0.217 798 G HA3 -0.322 3.640 3.960 0.002 0.000 0.217 798 G C 1.534 176.417 174.900 -0.029 0.000 1.168 798 G CA 1.322 46.397 45.100 -0.042 0.000 0.771 798 G HN 0.508 nan 8.290 nan 0.000 0.551 799 S N 0.265 115.950 115.700 -0.027 0.000 2.380 799 S HA -0.196 4.276 4.470 0.002 0.000 0.229 799 S C 1.985 176.578 174.600 -0.011 0.000 1.043 799 S CA 1.655 59.855 58.200 -0.000 0.000 1.038 799 S CB -0.380 62.864 63.200 0.073 0.000 0.872 799 S HN 0.318 nan 8.310 nan 0.000 0.456 800 Q N 0.180 119.942 119.800 -0.062 0.000 2.515 800 Q HA 0.272 4.614 4.340 0.002 0.000 0.214 800 Q C 0.421 176.414 176.000 -0.012 0.000 0.971 800 Q CA 0.390 56.145 55.803 -0.080 0.000 0.952 800 Q CB -0.639 28.028 28.738 -0.118 0.000 0.999 800 Q HN 0.814 nan 8.270 nan 0.000 0.524 801 F N 0.018 119.966 119.950 -0.004 0.000 2.668 801 F HA 0.179 4.708 4.527 0.003 0.000 0.301 801 F C 0.781 176.556 175.800 -0.041 0.000 1.106 801 F CA -0.595 57.391 58.000 -0.024 0.000 1.289 801 F CB 0.921 39.902 39.000 -0.031 0.000 1.006 801 F HN -0.076 nan 8.300 nan 0.000 0.535 802 Q N 0.605 120.476 119.800 0.119 0.000 2.306 802 Q HA 0.288 4.629 4.340 0.002 0.000 0.269 802 Q C -0.468 175.532 176.000 -0.000 0.000 1.053 802 Q CA -0.561 55.262 55.803 0.034 0.000 0.879 802 Q CB 1.627 30.356 28.738 -0.014 0.000 1.344 802 Q HN 0.275 nan 8.270 nan 0.000 0.464 803 E N 3.070 123.255 120.200 -0.025 0.000 2.180 803 E HA 0.186 4.537 4.350 0.002 0.000 0.283 803 E C -2.116 174.437 176.600 -0.077 0.000 1.061 803 E CA -1.610 54.762 56.400 -0.046 0.000 0.861 803 E CB 0.791 30.466 29.700 -0.041 0.000 1.056 803 E HN 0.128 nan 8.360 nan 0.000 0.407 804 P HA 0.052 nan 4.420 nan 0.000 0.279 804 P C -0.210 176.989 177.300 -0.168 0.000 1.318 804 P CA -0.318 62.691 63.100 -0.151 0.000 0.819 804 P CB 0.636 32.227 31.700 -0.182 0.000 0.927 805 L N 3.786 124.933 121.223 -0.126 0.000 2.718 805 L HA 0.250 4.592 4.340 0.002 0.000 0.242 805 L C 0.798 177.576 176.870 -0.154 0.000 1.203 805 L CA 0.940 55.724 54.840 -0.093 0.000 1.011 805 L CB -0.886 41.172 42.059 -0.002 0.000 1.250 805 L HN 0.467 nan 8.230 nan 0.000 0.437 806 M N 0.629 120.046 119.600 -0.306 0.000 2.272 806 M HA 0.346 4.827 4.480 0.002 0.000 0.240 806 M C -1.546 174.461 176.300 -0.489 0.000 0.991 806 M CA 0.032 55.028 55.300 -0.508 0.000 1.008 806 M CB 1.381 33.540 32.600 -0.735 0.000 2.221 806 M HN 0.189 nan 8.290 nan 0.000 0.469 807 E N 3.816 123.691 120.200 -0.540 0.000 2.393 807 E HA 0.591 4.943 4.350 0.002 0.000 0.273 807 E C -0.787 175.443 176.600 -0.617 0.000 0.918 807 E CA -0.920 55.007 56.400 -0.789 0.000 0.773 807 E CB 1.816 30.672 29.700 -1.407 0.000 1.275 807 E HN 0.646 nan 8.360 nan 0.000 0.451 808 F N 0.125 120.019 119.950 -0.093 0.000 3.027 808 F HA -0.271 4.257 4.527 0.002 0.000 0.276 808 F C 0.791 176.603 175.800 0.020 0.000 0.967 808 F CA 0.140 58.144 58.000 0.006 0.000 0.929 808 F CB -1.789 37.212 39.000 0.001 0.000 0.873 808 F HN 0.375 nan 8.300 nan 0.000 0.787 809 S N 0.471 116.172 115.700 0.002 0.000 2.608 809 S HA 0.507 4.979 4.470 0.002 0.000 0.261 809 S C 1.262 175.939 174.600 0.127 0.000 1.314 809 S CA -0.181 58.024 58.200 0.010 0.000 0.992 809 S CB 1.724 64.814 63.200 -0.184 0.000 0.935 809 S HN 0.478 nan 8.310 nan 0.000 0.564 810 G N -0.292 108.624 108.800 0.194 0.000 3.262 810 G HA2 0.466 4.428 3.960 0.002 0.000 0.228 810 G HA3 0.466 4.428 3.960 0.002 0.000 0.228 810 G C 0.477 175.510 174.900 0.221 0.000 1.197 810 G CA -0.003 45.230 45.100 0.221 0.000 0.819 810 G HN 1.115 nan 8.290 nan 0.000 0.531 811 A N -0.509 122.378 122.820 0.113 0.000 2.448 811 A HA 0.427 4.748 4.320 0.002 0.000 0.239 811 A C 0.967 178.659 177.584 0.180 0.000 1.080 811 A CA -0.286 51.761 52.037 0.018 0.000 0.779 811 A CB 0.038 18.742 19.000 -0.494 0.000 1.026 811 A HN 0.378 nan 8.150 nan 0.000 0.499 812 C N 0.284 119.654 119.300 0.117 0.000 2.758 812 C HA 0.301 4.763 4.460 0.002 0.000 0.371 812 C C 1.328 176.388 174.990 0.118 0.000 1.342 812 C CA -0.406 58.672 59.018 0.100 0.000 2.257 812 C CB -0.218 27.558 27.740 0.060 0.000 2.621 812 C HN 0.792 nan 8.230 nan 0.000 0.730 813 S N 0.940 116.656 115.700 0.027 0.000 2.481 813 S HA 0.421 4.892 4.470 0.002 0.000 0.282 813 S C 0.995 175.606 174.600 0.019 0.000 1.243 813 S CA 0.863 59.047 58.200 -0.027 0.000 1.078 813 S CB 0.041 63.206 63.200 -0.058 0.000 0.916 813 S HN 1.531 nan 8.310 nan 0.000 0.495 814 G N 2.168 110.998 108.800 0.049 0.000 2.171 814 G HA2 -0.255 3.706 3.960 0.002 0.000 0.238 814 G HA3 -0.255 3.706 3.960 0.002 0.000 0.238 814 G C 0.325 175.236 174.900 0.018 0.000 1.039 814 G CA -0.207 44.912 45.100 0.031 0.000 0.759 814 G HN 0.885 nan 8.290 nan 0.000 0.501 815 C N 0.588 119.900 119.300 0.019 0.000 2.657 815 C HA 0.533 4.994 4.460 0.002 0.000 0.420 815 C C 2.135 177.102 174.990 -0.037 0.000 1.323 815 C CA 1.013 60.014 59.018 -0.028 0.000 1.894 815 C CB 0.124 27.800 27.740 -0.107 0.000 2.681 815 C HN 1.100 nan 8.230 nan 0.000 0.613 816 G N 2.991 111.783 108.800 -0.014 0.000 2.985 816 G HA2 0.047 4.009 3.960 0.002 0.000 0.209 816 G HA3 0.047 4.009 3.960 0.002 0.000 0.209 816 G C 1.227 176.201 174.900 0.122 0.000 1.165 816 G CA 0.266 45.382 45.100 0.026 0.000 0.776 816 G HN 0.909 nan 8.290 nan 0.000 0.541 817 E N 0.312 120.552 120.200 0.068 0.000 2.110 817 E HA -0.069 4.282 4.350 0.002 0.000 0.193 817 E C 2.812 179.469 176.600 0.095 0.000 0.950 817 E CA 1.125 57.619 56.400 0.157 0.000 0.840 817 E CB -0.219 29.619 29.700 0.229 0.000 0.809 817 E HN 0.428 nan 8.360 nan 0.000 0.465 818 T N 0.255 114.668 114.554 -0.235 0.000 2.737 818 T HA -0.131 4.221 4.350 0.002 0.000 0.269 818 T C -1.092 173.448 174.700 -0.268 0.000 1.040 818 T CA 1.000 62.820 62.100 -0.468 0.000 1.142 818 T CB -1.523 66.862 68.868 -0.805 0.000 0.861 818 T HN -0.026 nan 8.240 nan 0.000 0.456 819 P HA -0.049 nan 4.420 nan 0.000 0.215 819 P C 0.939 178.064 177.300 -0.291 0.000 1.157 819 P CA 1.047 63.980 63.100 -0.279 0.000 0.868 819 P CB -0.231 31.281 31.700 -0.314 0.000 0.788 820 Y N -0.150 120.055 120.300 -0.158 0.000 2.049 820 Y HA -0.234 4.317 4.550 0.002 0.000 0.277 820 Y C 2.461 178.315 175.900 -0.077 0.000 1.143 820 Y CA 1.565 59.611 58.100 -0.091 0.000 1.115 820 Y CB -1.791 36.764 38.460 0.158 0.000 0.975 820 Y HN -0.208 nan 8.280 nan 0.000 0.487 821 V N -0.186 119.800 119.914 0.121 0.000 2.282 821 V HA -0.366 3.756 4.120 0.002 0.000 0.249 821 V C 2.281 178.359 176.094 -0.027 0.000 1.057 821 V CA 2.361 64.689 62.300 0.047 0.000 1.032 821 V CB -1.140 30.861 31.823 0.297 0.000 0.645 821 V HN 0.393 nan 8.190 nan 0.000 0.447 822 R N 1.100 121.525 120.500 -0.126 0.000 2.113 822 R HA -0.181 4.160 4.340 0.002 0.000 0.244 822 R C 2.398 178.579 176.300 -0.198 0.000 1.142 822 R CA 2.918 58.897 56.100 -0.202 0.000 0.953 822 R CB -0.665 29.474 30.300 -0.268 0.000 0.860 822 R HN 0.724 nan 8.270 nan 0.000 0.438 823 V N -1.317 118.458 119.914 -0.231 0.000 2.427 823 V HA -0.129 3.993 4.120 0.002 0.000 0.248 823 V C 2.167 178.134 176.094 -0.211 0.000 1.051 823 V CA 1.678 63.827 62.300 -0.252 0.000 1.048 823 V CB -0.564 31.058 31.823 -0.334 0.000 0.666 823 V HN 0.322 nan 8.190 nan 0.000 0.456 824 I N 2.380 122.843 120.570 -0.178 0.000 2.264 824 I HA -0.231 3.940 4.170 0.002 0.000 0.248 824 I C 2.833 178.839 176.117 -0.184 0.000 1.111 824 I CA 2.274 63.432 61.300 -0.237 0.000 1.382 824 I CB -0.684 37.107 38.000 -0.348 0.000 1.060 824 I HN 0.620 nan 8.210 nan 0.000 0.418 825 T N -2.374 112.117 114.554 -0.106 0.000 3.023 825 T HA -0.117 4.235 4.350 0.002 0.000 0.266 825 T C 1.612 176.244 174.700 -0.112 0.000 1.093 825 T CA 0.578 62.646 62.100 -0.054 0.000 1.129 825 T CB -0.201 68.666 68.868 -0.002 0.000 0.899 825 T HN 0.404 nan 8.240 nan 0.000 0.491 826 Q N -0.162 119.538 119.800 -0.167 0.000 2.482 826 Q HA 0.217 4.558 4.340 0.002 0.000 0.209 826 Q C 1.110 176.973 176.000 -0.228 0.000 0.961 826 Q CA 0.415 56.120 55.803 -0.164 0.000 0.945 826 Q CB 0.029 28.674 28.738 -0.155 0.000 1.012 826 Q HN 0.417 nan 8.270 nan 0.000 0.515 827 L N -2.784 118.209 121.223 -0.383 0.000 2.694 827 L HA 0.155 4.496 4.340 0.002 0.000 0.228 827 L C 0.753 177.171 176.870 -0.753 0.000 1.048 827 L CA 0.995 55.422 54.840 -0.689 0.000 0.887 827 L CB 0.516 41.892 42.059 -1.139 0.000 1.265 827 L HN 0.092 nan 8.230 nan 0.000 0.492 828 F N -1.971 117.973 119.950 -0.010 0.000 2.798 828 F HA 0.357 4.885 4.527 0.002 0.000 0.328 828 F C 2.064 177.878 175.800 0.024 0.000 1.098 828 F CA 0.194 58.221 58.000 0.045 0.000 1.172 828 F CB -0.437 38.637 39.000 0.123 0.000 1.072 828 F HN -0.047 nan 8.300 nan 0.000 0.555 829 G N 1.521 110.375 108.800 0.089 0.000 2.556 829 G HA2 -0.349 3.612 3.960 0.002 0.000 0.220 829 G HA3 -0.349 3.612 3.960 0.002 0.000 0.220 829 G C 1.599 176.540 174.900 0.069 0.000 1.156 829 G CA 1.622 46.764 45.100 0.071 0.000 0.766 829 G HN 0.417 nan 8.290 nan 0.000 0.583 830 E N 1.303 121.539 120.200 0.060 0.000 2.516 830 E HA -0.115 4.237 4.350 0.002 0.000 0.199 830 E C 1.611 178.242 176.600 0.051 0.000 1.069 830 E CA 0.678 57.105 56.400 0.044 0.000 0.876 830 E CB -0.255 29.468 29.700 0.039 0.000 0.843 830 E HN 0.752 nan 8.360 nan 0.000 0.530 831 R N 0.295 120.850 120.500 0.091 0.000 2.548 831 R HA 0.302 4.644 4.340 0.002 0.000 0.449 831 R C 0.276 176.656 176.300 0.133 0.000 0.928 831 R CA -0.297 55.861 56.100 0.097 0.000 1.107 831 R CB -0.410 29.980 30.300 0.151 0.000 1.557 831 R HN 0.104 nan 8.270 nan 0.000 0.584 832 M N -0.562 119.099 119.600 0.101 0.000 2.528 832 M HA 0.586 5.067 4.480 0.002 0.000 0.321 832 M C -1.500 174.815 176.300 0.025 0.000 1.153 832 M CA -0.801 54.615 55.300 0.193 0.000 0.951 832 M CB 1.596 34.363 32.600 0.279 0.000 1.705 832 M HN -0.192 nan 8.290 nan 0.000 0.451 833 F N 2.084 122.081 119.950 0.079 0.000 2.432 833 F HA 0.678 5.206 4.527 0.002 0.000 0.329 833 F C -0.191 175.559 175.800 -0.084 0.000 1.076 833 F CA -0.579 57.402 58.000 -0.031 0.000 1.018 833 F CB 1.703 40.662 39.000 -0.069 0.000 1.201 833 F HN 0.475 nan 8.300 nan 0.000 0.489 834 I N 2.481 123.007 120.570 -0.073 0.000 2.476 834 I HA 0.366 4.538 4.170 0.002 0.000 0.281 834 I C -0.767 175.073 176.117 -0.461 0.000 1.040 834 I CA -0.740 60.348 61.300 -0.354 0.000 1.094 834 I CB 1.572 39.184 38.000 -0.647 0.000 1.219 834 I HN 0.635 nan 8.210 nan 0.000 0.450 835 A N 5.758 128.397 122.820 -0.301 0.000 2.506 835 A HA 0.360 4.681 4.320 0.002 0.000 0.320 835 A C -0.286 177.108 177.584 -0.316 0.000 1.424 835 A CA -0.375 51.551 52.037 -0.184 0.000 1.044 835 A CB -0.044 18.929 19.000 -0.045 0.000 1.140 835 A HN 0.683 nan 8.150 nan 0.000 0.538 836 N N 2.327 120.688 118.700 -0.566 0.000 2.437 836 N HA 0.455 5.197 4.740 0.002 0.000 0.259 836 N C -0.025 175.245 175.510 -0.399 0.000 0.983 836 N CA -0.014 52.733 53.050 -0.505 0.000 0.937 836 N CB 1.609 39.665 38.487 -0.717 0.000 1.122 836 N HN 0.654 nan 8.380 nan 0.000 0.499 837 A N 2.954 125.530 122.820 -0.407 0.000 2.462 837 A HA 0.216 4.538 4.320 0.002 0.000 0.243 837 A C 0.560 178.110 177.584 -0.056 0.000 1.076 837 A CA 0.011 51.835 52.037 -0.355 0.000 0.773 837 A CB -0.102 18.419 19.000 -0.798 0.000 1.010 837 A HN 0.650 nan 8.150 nan 0.000 0.493 838 T N 1.431 116.037 114.554 0.086 0.000 2.946 838 T HA 0.470 4.821 4.350 0.002 0.000 0.312 838 T C 0.752 175.451 174.700 -0.002 0.000 1.066 838 T CA 1.160 63.286 62.100 0.044 0.000 1.138 838 T CB 0.377 69.254 68.868 0.015 0.000 1.014 838 T HN 1.937 nan 8.240 nan 0.000 0.544 839 G N 0.196 108.939 108.800 -0.095 0.000 2.369 839 G HA2 0.081 4.042 3.960 0.002 0.000 0.295 839 G HA3 0.081 4.042 3.960 0.002 0.000 0.295 839 G C 0.770 175.619 174.900 -0.085 0.000 1.298 839 G CA -0.377 44.656 45.100 -0.112 0.000 0.940 839 G HN 0.738 nan 8.290 nan 0.000 0.536 840 C N 0.283 119.561 119.300 -0.036 0.000 2.336 840 C HA -0.181 4.280 4.460 0.002 0.000 0.272 840 C C 3.455 178.239 174.990 -0.344 0.000 1.160 840 C CA 3.165 62.184 59.018 0.001 0.000 1.783 840 C CB -1.412 26.446 27.740 0.196 0.000 2.050 840 C HN 1.418 nan 8.230 nan 0.000 0.443 841 S N 0.989 116.491 115.700 -0.330 0.000 2.440 841 S HA -0.186 4.286 4.470 0.002 0.000 0.240 841 S C 1.615 175.769 174.600 -0.743 0.000 1.014 841 S CA 1.927 59.611 58.200 -0.859 0.000 0.980 841 S CB -0.626 62.532 63.200 -0.070 0.000 0.775 841 S HN 0.858 nan 8.310 nan 0.000 0.499 842 S N 1.004 116.543 115.700 -0.269 0.000 2.456 842 S HA 0.211 4.683 4.470 0.002 0.000 0.224 842 S C 1.766 176.284 174.600 -0.137 0.000 1.035 842 S CA 0.067 58.294 58.200 0.044 0.000 0.940 842 S CB -0.407 62.870 63.200 0.129 0.000 0.799 842 S HN 0.361 nan 8.310 nan 0.000 0.508 843 I N 2.489 122.945 120.570 -0.190 0.000 2.163 843 I HA -0.038 4.133 4.170 0.002 0.000 0.240 843 I C 2.613 178.700 176.117 -0.050 0.000 1.081 843 I CA 1.156 62.398 61.300 -0.098 0.000 1.353 843 I CB -1.652 36.328 38.000 -0.034 0.000 1.054 843 I HN 0.685 nan 8.210 nan 0.000 0.407 844 W N 1.064 122.376 121.300 0.019 0.000 2.800 844 W HA 0.208 4.869 4.660 0.003 0.000 0.249 844 W C 1.702 178.191 176.519 -0.050 0.000 1.294 844 W CA 0.585 57.927 57.345 -0.005 0.000 1.402 844 W CB -1.211 28.251 29.460 0.004 0.000 1.126 844 W HN 0.077 nan 8.180 nan 0.000 0.652 845 G N 1.409 109.977 108.800 -0.385 0.000 2.408 845 G HA2 0.165 4.127 3.960 0.002 0.000 0.215 845 G HA3 0.165 4.127 3.960 0.002 0.000 0.215 845 G C 0.952 175.448 174.900 -0.673 0.000 1.156 845 G CA 1.071 45.848 45.100 -0.538 0.000 0.793 845 G HN 0.301 nan 8.290 nan 0.000 0.535 846 A N -0.087 122.404 122.820 -0.548 0.000 3.339 846 A HA 0.608 4.929 4.320 0.002 0.000 0.219 846 A C -0.007 177.432 177.584 -0.242 0.000 0.974 846 A CA -0.265 51.501 52.037 -0.453 0.000 1.050 846 A CB 0.201 18.819 19.000 -0.637 0.000 1.271 846 A HN 0.039 nan 8.150 nan 0.000 0.565 847 S N 1.800 117.412 115.700 -0.147 0.000 2.416 847 S HA 0.515 4.987 4.470 0.002 0.000 0.287 847 S C 0.817 175.333 174.600 -0.140 0.000 1.139 847 S CA 0.104 58.245 58.200 -0.099 0.000 1.058 847 S CB 0.718 63.911 63.200 -0.013 0.000 0.967 847 S HN 1.082 nan 8.310 nan 0.000 0.495 848 A N 5.389 128.060 122.820 -0.247 0.000 2.531 848 A HA 0.319 4.640 4.320 0.002 0.000 0.236 848 A C -1.129 176.411 177.584 -0.074 0.000 1.062 848 A CA -0.784 51.036 52.037 -0.363 0.000 0.760 848 A CB -0.081 18.635 19.000 -0.473 0.000 0.995 848 A HN 0.629 nan 8.150 nan 0.000 0.501 849 P HA 0.122 nan 4.420 nan 0.000 0.263 849 P C -0.034 177.371 177.300 0.176 0.000 1.448 849 P CA 0.033 63.205 63.100 0.119 0.000 0.983 849 P CB 0.317 32.197 31.700 0.300 0.000 1.481 850 S N 1.392 117.151 115.700 0.098 0.000 2.411 850 S HA 0.468 4.940 4.470 0.002 0.000 0.294 850 S C 0.076 174.733 174.600 0.095 0.000 1.115 850 S CA -0.509 57.787 58.200 0.159 0.000 1.071 850 S CB -0.281 63.014 63.200 0.159 0.000 0.967 850 S HN -0.085 nan 8.310 nan 0.000 0.488 851 M N 8.134 127.823 119.600 0.148 0.000 2.044 851 M HA 0.323 4.804 4.480 0.002 0.000 0.333 851 M C -1.795 174.559 176.300 0.090 0.000 1.004 851 M CA -2.727 52.626 55.300 0.088 0.000 0.954 851 M CB 1.163 33.843 32.600 0.132 0.000 1.468 851 M HN 0.393 nan 8.290 nan 0.000 0.414 852 P HA -0.111 nan 4.420 nan 0.000 0.218 852 P C -0.004 177.213 177.300 -0.138 0.000 1.152 852 P CA 1.107 64.180 63.100 -0.045 0.000 0.826 852 P CB 0.068 31.748 31.700 -0.034 0.000 0.790 853 Y N 2.042 122.295 120.300 -0.078 0.000 2.465 853 Y HA 0.101 4.653 4.550 0.003 0.000 0.331 853 Y C 1.593 177.463 175.900 -0.051 0.000 1.102 853 Y CA 0.313 58.376 58.100 -0.063 0.000 1.358 853 Y CB 0.280 38.700 38.460 -0.066 0.000 1.213 853 Y HN 0.058 nan 8.280 nan 0.000 0.525 854 K N -0.078 120.351 120.400 0.049 0.000 2.372 854 K HA 0.783 5.104 4.320 0.002 0.000 0.251 854 K C -0.914 175.700 176.600 0.023 0.000 1.055 854 K CA -1.020 55.278 56.287 0.019 0.000 0.879 854 K CB 1.514 33.981 32.500 -0.054 0.000 1.384 854 K HN 0.485 nan 8.250 nan 0.000 0.465 855 T N -0.985 113.575 114.554 0.011 0.000 2.943 855 T HA 0.323 4.675 4.350 0.002 0.000 0.284 855 T C -0.033 174.661 174.700 -0.010 0.000 1.015 855 T CA -0.883 61.221 62.100 0.007 0.000 1.042 855 T CB 0.735 69.609 68.868 0.009 0.000 1.055 855 T HN 0.753 nan 8.240 nan 0.000 0.500 856 N N 0.527 119.222 118.700 -0.009 0.000 2.364 856 N HA 0.186 4.928 4.740 0.002 0.000 0.264 856 N C 1.353 176.857 175.510 -0.010 0.000 1.263 856 N CA -1.121 51.920 53.050 -0.015 0.000 0.959 856 N CB 0.398 38.878 38.487 -0.012 0.000 1.204 856 N HN 0.801 nan 8.380 nan 0.000 0.550 857 R N -1.315 119.178 120.500 -0.012 0.000 2.276 857 R HA -0.118 4.223 4.340 0.002 0.000 0.243 857 R C 0.171 176.469 176.300 -0.003 0.000 1.161 857 R CA 1.174 57.269 56.100 -0.008 0.000 1.007 857 R CB -0.654 29.639 30.300 -0.012 0.000 0.867 857 R HN 0.404 nan 8.270 nan 0.000 0.472 858 L N -0.194 121.028 121.223 -0.001 0.000 2.693 858 L HA 0.351 4.693 4.340 0.002 0.000 0.235 858 L C 1.353 178.223 176.870 0.000 0.000 1.127 858 L CA 1.060 55.901 54.840 0.001 0.000 0.914 858 L CB 0.746 42.808 42.059 0.005 0.000 1.193 858 L HN 0.538 nan 8.230 nan 0.000 0.502 859 G N -0.983 107.817 108.800 0.000 0.000 2.199 859 G HA2 -0.295 3.666 3.960 0.002 0.000 0.254 859 G HA3 -0.295 3.666 3.960 0.002 0.000 0.254 859 G C 0.524 175.421 174.900 -0.005 0.000 0.982 859 G CA -0.042 45.058 45.100 -0.001 0.000 0.632 859 G HN 0.401 nan 8.290 nan 0.000 0.529 860 Q N 0.202 120.000 119.800 -0.003 0.000 2.327 860 Q HA 0.547 4.889 4.340 0.002 0.000 0.254 860 Q C 0.570 176.568 176.000 -0.002 0.000 0.952 860 Q CA 0.594 56.393 55.803 -0.006 0.000 0.884 860 Q CB 1.478 30.218 28.738 0.003 0.000 1.224 860 Q HN 0.807 nan 8.270 nan 0.000 0.422 861 G N 1.816 110.611 108.800 -0.010 0.000 2.559 861 G HA2 0.414 4.376 3.960 0.002 0.000 0.291 861 G HA3 0.414 4.376 3.960 0.002 0.000 0.291 861 G C -3.072 171.824 174.900 -0.007 0.000 1.424 861 G CA -1.064 44.044 45.100 0.013 0.000 0.786 861 G HN 0.305 nan 8.290 nan 0.000 0.485 862 P HA 0.421 nan 4.420 nan 0.000 0.271 862 P C -0.165 177.096 177.300 -0.066 0.000 1.220 862 P CA 0.100 63.197 63.100 -0.005 0.000 0.768 862 P CB 1.279 33.041 31.700 0.102 0.000 0.848 863 A N 4.163 126.873 122.820 -0.182 0.000 2.671 863 A HA 0.176 4.497 4.320 0.002 0.000 0.306 863 A C -0.730 176.809 177.584 -0.075 0.000 1.473 863 A CA -0.403 51.532 52.037 -0.168 0.000 1.155 863 A CB -0.832 17.924 19.000 -0.407 0.000 1.123 863 A HN 0.601 nan 8.150 nan 0.000 0.545 864 W N 2.533 123.698 121.300 -0.226 0.000 2.365 864 W HA 0.545 5.206 4.660 0.002 0.000 0.316 864 W C 0.392 176.847 176.519 -0.108 0.000 1.164 864 W CA 0.622 57.802 57.345 -0.275 0.000 1.204 864 W CB 1.526 30.702 29.460 -0.474 0.000 1.213 864 W HN 0.800 nan 8.180 nan 0.000 0.539 865 G N 4.032 112.573 108.800 -0.432 0.000 2.760 865 G HA2 0.229 4.190 3.960 0.002 0.000 0.296 865 G HA3 0.229 4.190 3.960 0.002 0.000 0.296 865 G C -2.119 172.452 174.900 -0.549 0.000 1.427 865 G CA -1.011 43.979 45.100 -0.184 0.000 1.109 865 G HN 0.436 nan 8.290 nan 0.000 0.553 866 N N 1.323 119.762 118.700 -0.435 0.000 2.476 866 N HA 0.473 5.215 4.740 0.002 0.000 0.257 866 N C 0.780 176.036 175.510 -0.424 0.000 0.970 866 N CA -0.137 52.633 53.050 -0.466 0.000 0.938 866 N CB 2.130 40.509 38.487 -0.180 0.000 1.144 866 N HN 0.339 nan 8.380 nan 0.000 0.500 867 S N 3.461 118.710 115.700 -0.752 0.000 2.318 867 S HA 0.442 4.913 4.470 0.002 0.000 0.164 867 S C 0.344 174.726 174.600 -0.362 0.000 1.172 867 S CA 0.157 57.880 58.200 -0.794 0.000 1.658 867 S CB -0.200 62.197 63.200 -1.338 0.000 0.690 867 S HN 0.488 nan 8.310 nan 0.000 0.397 868 L N -0.297 120.762 121.223 -0.272 0.000 2.235 868 L HA 0.492 4.833 4.340 0.002 0.000 0.260 868 L C 0.617 177.500 176.870 0.022 0.000 1.025 868 L CA -0.627 54.163 54.840 -0.083 0.000 0.836 868 L CB 0.752 42.784 42.059 -0.045 0.000 1.395 868 L HN 0.500 nan 8.230 nan 0.000 0.443 869 F N 1.234 121.156 119.950 -0.048 0.000 2.293 869 F HA -0.077 4.451 4.527 0.002 0.000 0.297 869 F C 2.040 177.930 175.800 0.150 0.000 1.089 869 F CA 1.143 59.154 58.000 0.019 0.000 1.377 869 F CB 0.070 39.100 39.000 0.049 0.000 1.051 869 F HN 0.582 nan 8.300 nan 0.000 0.511 870 E N 0.044 120.229 120.200 -0.025 0.000 2.444 870 E HA 0.014 4.365 4.350 0.002 0.000 0.191 870 E C -0.085 176.554 176.600 0.065 0.000 1.041 870 E CA 0.586 56.942 56.400 -0.074 0.000 0.883 870 E CB -0.625 29.015 29.700 -0.099 0.000 1.024 870 E HN 0.573 nan 8.360 nan 0.000 0.470 871 D N -0.494 119.962 120.400 0.094 0.000 2.582 871 D HA 0.249 4.891 4.640 0.002 0.000 0.246 871 D C 1.323 177.718 176.300 0.159 0.000 1.334 871 D CA 0.252 54.322 54.000 0.116 0.000 0.805 871 D CB 0.160 40.982 40.800 0.037 0.000 1.087 871 D HN 0.065 nan 8.370 nan 0.000 0.499 872 A N 1.266 124.155 122.820 0.115 0.000 1.915 872 A HA -0.099 4.223 4.320 0.002 0.000 0.220 872 A C 2.378 180.048 177.584 0.142 0.000 1.198 872 A CA 2.707 54.685 52.037 -0.098 0.000 0.647 872 A CB -0.929 17.514 19.000 -0.928 0.000 0.825 872 A HN 0.432 nan 8.150 nan 0.000 0.456 873 A N 0.166 123.243 122.820 0.428 0.000 1.898 873 A HA -0.126 4.196 4.320 0.002 0.000 0.216 873 A C 1.929 179.668 177.584 0.257 0.000 1.181 873 A CA 1.605 53.870 52.037 0.380 0.000 0.620 873 A CB -0.468 18.788 19.000 0.427 0.000 0.819 873 A HN 0.670 nan 8.150 nan 0.000 0.442 874 E N -1.104 119.227 120.200 0.219 0.000 2.208 874 E HA -0.208 4.144 4.350 0.002 0.000 0.193 874 E C 1.827 178.582 176.600 0.259 0.000 0.988 874 E CA 1.296 57.820 56.400 0.206 0.000 0.828 874 E CB -0.652 29.117 29.700 0.115 0.000 0.763 874 E HN 0.722 nan 8.360 nan 0.000 0.478 875 Y N 2.560 122.903 120.300 0.072 0.000 2.163 875 Y HA 0.027 4.578 4.550 0.002 0.000 0.288 875 Y C 2.554 178.458 175.900 0.007 0.000 1.136 875 Y CA 1.765 59.873 58.100 0.014 0.000 1.147 875 Y CB -0.734 37.699 38.460 -0.046 0.000 0.987 875 Y HN 0.051 nan 8.280 nan 0.000 0.509 876 G N -0.746 108.059 108.800 0.007 0.000 2.408 876 G HA2 -0.308 3.653 3.960 0.002 0.000 0.217 876 G HA3 -0.308 3.653 3.960 0.002 0.000 0.217 876 G C 1.672 176.544 174.900 -0.047 0.000 1.150 876 G CA 0.721 45.758 45.100 -0.105 0.000 0.776 876 G HN 0.477 nan 8.290 nan 0.000 0.542 877 F N 2.485 122.397 119.950 -0.064 0.000 2.126 877 F HA -0.000 4.528 4.527 0.002 0.000 0.299 877 F C 2.539 178.285 175.800 -0.091 0.000 1.096 877 F CA 1.516 59.482 58.000 -0.056 0.000 1.255 877 F CB -0.445 38.555 39.000 0.000 0.000 0.997 877 F HN 0.113 nan 8.300 nan 0.000 0.479 878 G N -0.045 108.721 108.800 -0.056 0.000 2.443 878 G HA2 -0.219 3.743 3.960 0.002 0.000 0.219 878 G HA3 -0.219 3.743 3.960 0.002 0.000 0.219 878 G C 1.625 176.365 174.900 -0.267 0.000 1.131 878 G CA 0.874 45.881 45.100 -0.154 0.000 0.775 878 G HN 0.390 nan 8.290 nan 0.000 0.547 879 M N 0.575 119.971 119.600 -0.339 0.000 2.132 879 M HA -0.052 4.430 4.480 0.002 0.000 0.263 879 M C 2.422 178.440 176.300 -0.470 0.000 1.065 879 M CA 1.069 56.092 55.300 -0.461 0.000 1.122 879 M CB -0.446 31.811 32.600 -0.572 0.000 1.365 879 M HN 0.239 nan 8.290 nan 0.000 0.411 880 N N 1.088 119.542 118.700 -0.409 0.000 2.166 880 N HA -0.137 4.604 4.740 0.002 0.000 0.186 880 N C 1.591 176.914 175.510 -0.313 0.000 1.019 880 N CA 1.469 54.303 53.050 -0.360 0.000 0.856 880 N CB -0.052 38.218 38.487 -0.362 0.000 0.993 880 N HN 0.382 nan 8.380 nan 0.000 0.426 881 M N -0.105 119.260 119.600 -0.391 0.000 2.132 881 M HA -0.107 4.374 4.480 0.002 0.000 0.263 881 M C 2.466 178.704 176.300 -0.102 0.000 1.065 881 M CA 1.170 56.316 55.300 -0.257 0.000 1.122 881 M CB -0.302 32.122 32.600 -0.293 0.000 1.365 881 M HN 0.124 nan 8.290 nan 0.000 0.411 882 S N 0.305 115.911 115.700 -0.156 0.000 2.356 882 S HA -0.138 4.334 4.470 0.002 0.000 0.223 882 S C 1.931 176.476 174.600 -0.091 0.000 1.032 882 S CA 1.182 59.314 58.200 -0.112 0.000 1.005 882 S CB 0.016 63.127 63.200 -0.148 0.000 0.867 882 S HN 0.292 nan 8.310 nan 0.000 0.449 883 M N 0.302 119.815 119.600 -0.146 0.000 2.229 883 M HA 0.053 4.534 4.480 0.002 0.000 0.264 883 M C 1.904 178.198 176.300 -0.010 0.000 1.063 883 M CA 1.071 56.317 55.300 -0.090 0.000 1.114 883 M CB -1.601 30.903 32.600 -0.160 0.000 1.387 883 M HN 0.534 nan 8.290 nan 0.000 0.420 884 F N 1.013 120.892 119.950 -0.119 0.000 2.163 884 F HA -0.016 4.513 4.527 0.002 0.000 0.297 884 F C 2.233 178.010 175.800 -0.037 0.000 1.094 884 F CA 1.442 59.393 58.000 -0.081 0.000 1.290 884 F CB -0.289 38.638 39.000 -0.122 0.000 1.017 884 F HN 0.093 nan 8.300 nan 0.000 0.483 885 A N 0.862 123.625 122.820 -0.096 0.000 1.854 885 A HA -0.104 4.218 4.320 0.002 0.000 0.214 885 A C 2.335 179.856 177.584 -0.106 0.000 1.192 885 A CA 1.467 53.421 52.037 -0.139 0.000 0.611 885 A CB -0.663 18.328 19.000 -0.017 0.000 0.832 885 A HN 0.419 nan 8.150 nan 0.000 0.442 886 R N -0.620 119.860 120.500 -0.034 0.000 2.092 886 R HA -0.027 4.315 4.340 0.002 0.000 0.231 886 R C 2.294 178.618 176.300 0.039 0.000 1.119 886 R CA 1.331 57.452 56.100 0.035 0.000 0.970 886 R CB -0.265 30.052 30.300 0.029 0.000 0.864 886 R HN 0.434 nan 8.270 nan 0.000 0.440 887 R N -0.328 120.179 120.500 0.012 0.000 2.189 887 R HA 0.007 4.348 4.340 0.002 0.000 0.218 887 R C 1.751 178.098 176.300 0.078 0.000 1.074 887 R CA 1.122 57.282 56.100 0.100 0.000 0.991 887 R CB 0.013 30.393 30.300 0.133 0.000 0.883 887 R HN 0.162 nan 8.270 nan 0.000 0.457 888 T N -0.594 113.891 114.554 -0.116 0.000 2.978 888 T HA -0.098 4.253 4.350 0.002 0.000 0.262 888 T C 1.518 176.222 174.700 0.006 0.000 1.063 888 T CA 0.781 62.784 62.100 -0.161 0.000 1.140 888 T CB -0.137 68.441 68.868 -0.484 0.000 0.886 888 T HN 0.449 nan 8.240 nan 0.000 0.470 889 H N 0.427 119.439 119.070 -0.098 0.000 2.290 889 H HA -0.108 4.449 4.556 0.002 0.000 0.298 889 H C 2.329 177.638 175.328 -0.031 0.000 1.087 889 H CA 1.273 57.285 56.048 -0.059 0.000 1.291 889 H CB -0.113 29.616 29.762 -0.054 0.000 1.369 889 H HN 0.157 nan 8.280 nan 0.000 0.492 890 L N 1.273 122.499 121.223 0.005 0.000 1.955 890 L HA -0.137 4.205 4.340 0.002 0.000 0.213 890 L C 2.690 179.551 176.870 -0.014 0.000 1.072 890 L CA 2.172 56.948 54.840 -0.107 0.000 0.755 890 L CB -1.312 40.665 42.059 -0.137 0.000 0.888 890 L HN 0.368 nan 8.230 nan 0.000 0.432 891 A N -1.187 121.740 122.820 0.179 0.000 2.042 891 A HA -0.310 4.012 4.320 0.002 0.000 0.222 891 A C 2.148 179.815 177.584 0.137 0.000 1.167 891 A CA 2.191 54.422 52.037 0.323 0.000 0.649 891 A CB -0.956 18.224 19.000 0.301 0.000 0.809 891 A HN 0.713 nan 8.150 nan 0.000 0.457 892 D N -0.765 119.686 120.400 0.085 0.000 2.110 892 D HA -0.056 4.585 4.640 0.002 0.000 0.202 892 D C 1.784 178.110 176.300 0.042 0.000 0.975 892 D CA 0.968 55.006 54.000 0.063 0.000 0.839 892 D CB 0.016 40.864 40.800 0.081 0.000 0.996 892 D HN 0.261 nan 8.370 nan 0.000 0.464 893 L N 1.445 122.680 121.223 0.021 0.000 2.079 893 L HA -0.142 4.199 4.340 0.002 0.000 0.210 893 L C 2.534 179.382 176.870 -0.036 0.000 1.081 893 L CA 1.414 56.240 54.840 -0.023 0.000 0.752 893 L CB -1.068 40.934 42.059 -0.094 0.000 0.896 893 L HN -0.028 nan 8.230 nan 0.000 0.433 894 A N -0.695 122.100 122.820 -0.042 0.000 1.858 894 A HA -0.152 4.170 4.320 0.002 0.000 0.216 894 A C 2.509 180.095 177.584 0.004 0.000 1.190 894 A CA 1.861 53.875 52.037 -0.039 0.000 0.617 894 A CB -1.014 17.977 19.000 -0.016 0.000 0.827 894 A HN 0.383 nan 8.150 nan 0.000 0.443 895 A N -0.154 122.684 122.820 0.030 0.000 1.940 895 A HA -0.201 4.120 4.320 0.002 0.000 0.219 895 A C 2.092 179.682 177.584 0.011 0.000 1.176 895 A CA 1.956 54.008 52.037 0.025 0.000 0.631 895 A CB -0.461 18.557 19.000 0.030 0.000 0.814 895 A HN 0.585 nan 8.150 nan 0.000 0.446 896 K N -0.369 120.035 120.400 0.007 0.000 2.097 896 K HA 0.025 4.346 4.320 0.002 0.000 0.205 896 K C 2.227 178.824 176.600 -0.004 0.000 1.050 896 K CA 0.983 57.272 56.287 0.003 0.000 0.938 896 K CB -0.278 32.225 32.500 0.005 0.000 0.718 896 K HN 0.438 nan 8.250 nan 0.000 0.442 897 A N 1.460 124.273 122.820 -0.012 0.000 1.969 897 A HA -0.078 4.243 4.320 0.002 0.000 0.218 897 A C 2.038 179.615 177.584 -0.011 0.000 1.169 897 A CA 0.980 53.007 52.037 -0.017 0.000 0.635 897 A CB -0.573 18.407 19.000 -0.033 0.000 0.810 897 A HN 0.157 nan 8.150 nan 0.000 0.445 898 L N -0.506 120.713 121.223 -0.006 0.000 2.261 898 L HA -0.187 4.155 4.340 0.002 0.000 0.216 898 L C 1.665 178.534 176.870 -0.001 0.000 1.114 898 L CA 1.293 56.132 54.840 -0.002 0.000 0.777 898 L CB -0.453 41.608 42.059 0.003 0.000 0.910 898 L HN 0.492 nan 8.230 nan 0.000 0.440 899 E N -0.627 119.572 120.200 -0.002 0.000 2.444 899 E HA 0.035 4.387 4.350 0.002 0.000 0.191 899 E C 0.806 177.405 176.600 -0.003 0.000 1.041 899 E CA -0.120 56.279 56.400 -0.002 0.000 0.883 899 E CB 0.373 30.072 29.700 -0.001 0.000 1.024 899 E HN 0.453 nan 8.360 nan 0.000 0.470 900 S N 0.663 116.360 115.700 -0.004 0.000 2.677 900 S HA 0.118 4.590 4.470 0.002 0.000 0.290 900 S C 0.596 175.193 174.600 -0.005 0.000 1.124 900 S CA -0.676 57.521 58.200 -0.005 0.000 1.017 900 S CB 0.773 63.968 63.200 -0.008 0.000 1.215 900 S HN 0.064 nan 8.310 nan 0.000 0.524 901 D N 0.038 120.435 120.400 -0.005 0.000 2.460 901 D HA 0.355 4.997 4.640 0.002 0.000 0.229 901 D C 0.519 176.817 176.300 -0.005 0.000 1.170 901 D CA -0.361 53.637 54.000 -0.004 0.000 0.827 901 D CB -0.715 40.083 40.800 -0.004 0.000 0.973 901 D HN 0.679 nan 8.370 nan 0.000 0.496 902 A N 0.775 123.592 122.820 -0.006 0.000 2.445 902 A HA 0.435 4.756 4.320 0.002 0.000 0.242 902 A C 0.895 178.477 177.584 -0.003 0.000 1.075 902 A CA -0.311 51.722 52.037 -0.007 0.000 0.777 902 A CB 0.188 19.181 19.000 -0.011 0.000 1.013 902 A HN 0.394 nan 8.150 nan 0.000 0.493 903 S N 1.649 117.347 115.700 -0.003 0.000 2.566 903 S HA 0.273 4.744 4.470 0.002 0.000 0.280 903 S C 1.428 176.030 174.600 0.003 0.000 1.343 903 S CA -0.143 58.057 58.200 0.000 0.000 1.036 903 S CB 0.672 63.872 63.200 -0.000 0.000 0.866 903 S HN 1.458 nan 8.310 nan 0.000 0.526 904 G N 1.390 110.194 108.800 0.006 0.000 2.476 904 G HA2 -0.257 3.704 3.960 0.002 0.000 0.218 904 G HA3 -0.257 3.704 3.960 0.002 0.000 0.218 904 G C 0.902 175.811 174.900 0.016 0.000 1.164 904 G CA 1.068 46.175 45.100 0.010 0.000 0.768 904 G HN 0.780 nan 8.290 nan 0.000 0.560 905 D N -0.040 120.369 120.400 0.014 0.000 2.149 905 D HA -0.084 4.557 4.640 0.002 0.000 0.198 905 D C 2.711 179.024 176.300 0.022 0.000 0.990 905 D CA 0.648 54.659 54.000 0.018 0.000 0.839 905 D CB -0.376 40.430 40.800 0.010 0.000 0.948 905 D HN 0.235 nan 8.370 nan 0.000 0.460 906 V N 0.789 120.709 119.914 0.011 0.000 2.307 906 V HA -0.216 3.905 4.120 0.002 0.000 0.245 906 V C 2.245 178.345 176.094 0.010 0.000 1.045 906 V CA 1.548 63.849 62.300 0.002 0.000 1.024 906 V CB -0.297 31.521 31.823 -0.009 0.000 0.651 906 V HN 0.181 nan 8.190 nan 0.000 0.449 907 K N -0.243 120.164 120.400 0.012 0.000 2.147 907 K HA -0.224 4.097 4.320 0.002 0.000 0.205 907 K C 2.168 178.788 176.600 0.034 0.000 1.049 907 K CA 1.566 57.862 56.287 0.015 0.000 0.936 907 K CB -0.118 32.389 32.500 0.011 0.000 0.722 907 K HN 0.538 nan 8.250 nan 0.000 0.446 908 E N 0.622 120.851 120.200 0.048 0.000 2.106 908 E HA -0.152 4.200 4.350 0.002 0.000 0.192 908 E C 1.862 178.552 176.600 0.149 0.000 0.984 908 E CA 0.954 57.402 56.400 0.080 0.000 0.806 908 E CB 0.052 29.795 29.700 0.072 0.000 0.750 908 E HN 0.324 nan 8.360 nan 0.000 0.458 909 A N 0.270 123.178 122.820 0.146 0.000 1.898 909 A HA -0.077 4.245 4.320 0.002 0.000 0.214 909 A C 1.971 179.677 177.584 0.203 0.000 1.183 909 A CA 0.676 52.866 52.037 0.255 0.000 0.622 909 A CB -0.341 18.732 19.000 0.123 0.000 0.824 909 A HN 0.220 nan 8.150 nan 0.000 0.444 910 L N -0.392 120.878 121.223 0.078 0.000 2.017 910 L HA -0.176 4.166 4.340 0.002 0.000 0.208 910 L C 2.613 179.527 176.870 0.073 0.000 1.073 910 L CA 2.218 57.091 54.840 0.054 0.000 0.745 910 L CB -1.042 41.016 42.059 -0.002 0.000 0.894 910 L HN 0.505 nan 8.230 nan 0.000 0.432 911 Q N -0.223 119.593 119.800 0.028 0.000 2.181 911 Q HA -0.143 4.198 4.340 0.002 0.000 0.205 911 Q C 2.127 178.047 176.000 -0.135 0.000 0.980 911 Q CA 1.929 57.718 55.803 -0.022 0.000 0.862 911 Q CB -0.689 28.042 28.738 -0.012 0.000 0.905 911 Q HN 0.449 nan 8.270 nan 0.000 0.429 912 G N -1.169 107.490 108.800 -0.236 0.000 2.430 912 G HA2 -0.228 3.734 3.960 0.002 0.000 0.216 912 G HA3 -0.228 3.734 3.960 0.002 0.000 0.216 912 G C 1.102 175.487 174.900 -0.857 0.000 1.146 912 G CA 0.410 44.961 45.100 -0.915 0.000 0.793 912 G HN 0.525 nan 8.290 nan 0.000 0.537 913 W N 0.996 122.023 121.300 -0.456 0.000 2.379 913 W HA 0.026 4.688 4.660 0.003 0.000 0.307 913 W C 2.160 178.559 176.519 -0.200 0.000 1.200 913 W CA 0.757 57.954 57.345 -0.246 0.000 1.297 913 W CB -0.178 29.184 29.460 -0.165 0.000 1.140 913 W HN 0.003 nan 8.180 nan 0.000 0.507 914 L N 0.844 122.034 121.223 -0.055 0.000 2.042 914 L HA -0.215 4.127 4.340 0.002 0.000 0.210 914 L C 2.528 179.215 176.870 -0.305 0.000 1.076 914 L CA 2.292 57.026 54.840 -0.177 0.000 0.749 914 L CB -2.290 39.765 42.059 -0.007 0.000 0.893 914 L HN 0.201 nan 8.230 nan 0.000 0.432 915 A N -0.366 122.288 122.820 -0.277 0.000 1.883 915 A HA -0.091 4.230 4.320 0.002 0.000 0.217 915 A C 1.976 179.391 177.584 -0.281 0.000 1.186 915 A CA 1.833 53.719 52.037 -0.251 0.000 0.624 915 A CB -0.889 17.964 19.000 -0.245 0.000 0.822 915 A HN 0.461 nan 8.150 nan 0.000 0.444 916 G N -0.520 108.060 108.800 -0.366 0.000 3.936 916 G HA2 0.292 4.253 3.960 0.002 0.000 0.296 916 G HA3 0.292 4.253 3.960 0.002 0.000 0.296 916 G C 0.919 175.563 174.900 -0.426 0.000 1.121 916 G CA 0.488 45.405 45.100 -0.305 0.000 0.899 916 G HN 0.690 nan 8.290 nan 0.000 0.542 917 K N -0.376 119.616 120.400 -0.680 0.000 2.218 917 K HA -0.116 4.206 4.320 0.002 0.000 0.205 917 K C 1.174 177.495 176.600 -0.465 0.000 1.046 917 K CA 1.490 57.179 56.287 -0.997 0.000 0.933 917 K CB -0.169 31.582 32.500 -1.248 0.000 0.728 917 K HN 0.322 nan 8.250 nan 0.000 0.454 918 N N 0.750 119.276 118.700 -0.289 0.000 2.230 918 N HA -0.007 4.734 4.740 0.002 0.000 0.202 918 N C -0.823 174.633 175.510 -0.089 0.000 1.119 918 N CA -0.250 52.712 53.050 -0.146 0.000 0.851 918 N CB 0.436 38.853 38.487 -0.116 0.000 0.990 918 N HN 0.241 nan 8.380 nan 0.000 0.497 919 D N 1.062 121.404 120.400 -0.097 0.000 2.280 919 D HA 0.148 4.789 4.640 0.002 0.000 0.236 919 D C -1.945 174.364 176.300 0.015 0.000 1.082 919 D CA -2.158 51.823 54.000 -0.033 0.000 0.834 919 D CB 2.171 42.950 40.800 -0.035 0.000 1.100 919 D HN -0.099 nan 8.370 nan 0.000 0.486 920 P HA -0.183 nan 4.420 nan 0.000 0.215 920 P C 1.691 179.055 177.300 0.106 0.000 1.163 920 P CA 0.975 64.134 63.100 0.099 0.000 0.894 920 P CB 0.325 32.102 31.700 0.129 0.000 0.791 921 I N -0.971 119.656 120.570 0.095 0.000 2.110 921 I HA -0.183 3.989 4.170 0.002 0.000 0.236 921 I C 2.091 178.284 176.117 0.126 0.000 1.068 921 I CA 1.698 63.059 61.300 0.100 0.000 1.333 921 I CB -1.668 36.383 38.000 0.085 0.000 1.054 921 I HN -0.033 nan 8.210 nan 0.000 0.402 922 K N 1.515 121.989 120.400 0.124 0.000 2.020 922 K HA -0.166 4.156 4.320 0.002 0.000 0.212 922 K C 2.301 179.048 176.600 0.246 0.000 1.050 922 K CA 1.964 58.373 56.287 0.203 0.000 0.929 922 K CB -0.940 31.607 32.500 0.079 0.000 0.714 922 K HN 0.524 nan 8.250 nan 0.000 0.443 923 S N 1.362 117.121 115.700 0.099 0.000 2.359 923 S HA -0.237 4.235 4.470 0.002 0.000 0.223 923 S C 2.151 176.942 174.600 0.318 0.000 1.039 923 S CA 1.813 60.086 58.200 0.121 0.000 1.042 923 S CB -0.342 62.887 63.200 0.049 0.000 0.915 923 S HN 0.357 nan 8.310 nan 0.000 0.439 924 K N 1.360 121.905 120.400 0.241 0.000 2.057 924 K HA -0.170 4.152 4.320 0.002 0.000 0.207 924 K C 2.421 179.138 176.600 0.194 0.000 1.049 924 K CA 1.543 57.964 56.287 0.224 0.000 0.931 924 K CB -0.356 32.240 32.500 0.160 0.000 0.714 924 K HN 0.651 nan 8.250 nan 0.000 0.440 925 E N -0.300 119.999 120.200 0.165 0.000 2.021 925 E HA -0.248 4.104 4.350 0.002 0.000 0.200 925 E C 1.852 178.448 176.600 -0.008 0.000 1.015 925 E CA 1.911 58.335 56.400 0.041 0.000 0.824 925 E CB -0.248 29.442 29.700 -0.017 0.000 0.762 925 E HN 0.436 nan 8.360 nan 0.000 0.454 926 Y N -0.147 120.216 120.300 0.105 0.000 2.373 926 Y HA 0.023 4.574 4.550 0.002 0.000 0.293 926 Y C 2.328 178.273 175.900 0.076 0.000 1.129 926 Y CA 0.916 59.075 58.100 0.098 0.000 1.226 926 Y CB -0.649 37.892 38.460 0.134 0.000 1.000 926 Y HN 0.201 nan 8.280 nan 0.000 0.549 927 G N 0.025 109.012 108.800 0.311 0.000 2.421 927 G HA2 -0.221 3.740 3.960 0.002 0.000 0.216 927 G HA3 -0.221 3.740 3.960 0.002 0.000 0.216 927 G C 1.316 176.347 174.900 0.218 0.000 1.171 927 G CA 1.235 46.457 45.100 0.203 0.000 0.775 927 G HN 0.279 nan 8.290 nan 0.000 0.543 928 D N 0.653 121.160 120.400 0.178 0.000 2.218 928 D HA -0.047 4.595 4.640 0.002 0.000 0.204 928 D C 2.373 178.716 176.300 0.071 0.000 0.976 928 D CA 0.757 54.831 54.000 0.124 0.000 0.853 928 D CB -0.075 40.772 40.800 0.079 0.000 0.939 928 D HN 0.327 nan 8.370 nan 0.000 0.481 929 K N 0.041 120.460 120.400 0.032 0.000 2.097 929 K HA -0.062 4.259 4.320 0.002 0.000 0.205 929 K C 1.961 178.566 176.600 0.009 0.000 1.050 929 K CA 0.334 56.621 56.287 -0.001 0.000 0.938 929 K CB 0.022 32.498 32.500 -0.040 0.000 0.718 929 K HN 0.006 nan 8.250 nan 0.000 0.442 930 L N 1.700 122.916 121.223 -0.011 0.000 2.131 930 L HA -0.152 4.190 4.340 0.002 0.000 0.210 930 L C 1.815 178.736 176.870 0.084 0.000 1.092 930 L CA 1.673 56.485 54.840 -0.046 0.000 0.759 930 L CB -0.348 41.504 42.059 -0.346 0.000 0.903 930 L HN 0.051 nan 8.230 nan 0.000 0.435 931 K N -0.741 119.749 120.400 0.150 0.000 2.211 931 K HA -0.145 4.176 4.320 0.002 0.000 0.203 931 K C 1.925 178.560 176.600 0.059 0.000 1.050 931 K CA 1.027 57.391 56.287 0.129 0.000 0.945 931 K CB 0.011 32.580 32.500 0.115 0.000 0.732 931 K HN 0.345 nan 8.250 nan 0.000 0.451 932 K N 0.554 120.978 120.400 0.041 0.000 2.108 932 K HA 0.083 4.405 4.320 0.002 0.000 0.204 932 K C 2.110 178.718 176.600 0.013 0.000 1.036 932 K CA 0.417 56.716 56.287 0.020 0.000 0.965 932 K CB -0.059 32.448 32.500 0.012 0.000 0.804 932 K HN -0.036 nan 8.250 nan 0.000 0.454 933 L N 1.295 122.523 121.223 0.009 0.000 2.042 933 L HA -0.182 4.160 4.340 0.002 0.000 0.210 933 L C 2.000 178.871 176.870 0.002 0.000 1.076 933 L CA 1.295 56.136 54.840 0.002 0.000 0.749 933 L CB -0.359 41.698 42.059 -0.004 0.000 0.893 933 L HN 0.177 nan 8.230 nan 0.000 0.432 934 L N -0.464 120.764 121.223 0.008 0.000 2.611 934 L HA 0.231 4.572 4.340 0.002 0.000 0.229 934 L C 1.093 177.970 176.870 0.012 0.000 1.137 934 L CA -0.667 54.178 54.840 0.009 0.000 0.901 934 L CB -0.345 41.723 42.059 0.016 0.000 1.098 934 L HN 0.072 nan 8.230 nan 0.000 0.456 935 A N 0.439 123.267 122.820 0.013 0.000 2.548 935 A HA 0.391 4.713 4.320 0.002 0.000 0.247 935 A C 1.458 179.043 177.584 0.000 0.000 1.067 935 A CA 0.817 52.858 52.037 0.007 0.000 0.757 935 A CB -0.189 18.816 19.000 0.007 0.000 0.996 935 A HN 0.593 nan 8.150 nan 0.000 0.504 936 G N 0.921 109.719 108.800 -0.004 0.000 2.199 936 G HA2 -0.210 3.751 3.960 0.002 0.000 0.254 936 G HA3 -0.210 3.751 3.960 0.002 0.000 0.254 936 G C 0.322 175.217 174.900 -0.008 0.000 0.982 936 G CA 0.324 45.420 45.100 -0.006 0.000 0.632 936 G HN 0.851 nan 8.290 nan 0.000 0.529 937 Q N -0.167 119.629 119.800 -0.007 0.000 2.364 937 Q HA 0.524 4.866 4.340 0.002 0.000 0.267 937 Q C 0.967 176.959 176.000 -0.014 0.000 0.999 937 Q CA 0.603 56.400 55.803 -0.010 0.000 0.886 937 Q CB 1.461 30.194 28.738 -0.010 0.000 1.243 937 Q HN 0.414 nan 8.270 nan 0.000 0.415 938 K N 0.633 121.025 120.400 -0.014 0.000 2.567 938 K HA 0.150 4.472 4.320 0.002 0.000 0.199 938 K C -0.558 176.032 176.600 -0.016 0.000 1.412 938 K CA 0.378 56.655 56.287 -0.016 0.000 1.020 938 K CB 0.614 33.106 32.500 -0.013 0.000 1.487 938 K HN 0.481 nan 8.250 nan 0.000 0.531 939 D N -0.392 120.000 120.400 -0.014 0.000 2.385 939 D HA 0.585 5.226 4.640 0.002 0.000 0.254 939 D C 0.392 176.683 176.300 -0.015 0.000 1.053 939 D CA 0.478 54.470 54.000 -0.013 0.000 0.992 939 D CB 1.189 41.983 40.800 -0.010 0.000 1.145 939 D HN 0.259 nan 8.370 nan 0.000 0.523 940 G N -0.760 108.032 108.800 -0.014 0.000 2.645 940 G HA2 -0.276 3.686 3.960 0.002 0.000 0.246 940 G HA3 -0.276 3.686 3.960 0.002 0.000 0.246 940 G C 0.764 175.652 174.900 -0.021 0.000 1.322 940 G CA -0.104 44.987 45.100 -0.014 0.000 0.898 940 G HN 0.464 nan 8.290 nan 0.000 0.573 941 L N -0.750 120.459 121.223 -0.022 0.000 1.989 941 L HA -0.116 4.225 4.340 0.002 0.000 0.211 941 L C 3.134 179.978 176.870 -0.042 0.000 1.071 941 L CA 1.729 56.549 54.840 -0.033 0.000 0.749 941 L CB -0.658 41.383 42.059 -0.030 0.000 0.890 941 L HN 0.488 nan 8.230 nan 0.000 0.431 942 L N 0.206 121.409 121.223 -0.035 0.000 2.081 942 L HA -0.175 4.166 4.340 0.002 0.000 0.212 942 L C 2.622 179.474 176.870 -0.030 0.000 1.080 942 L CA 2.098 56.918 54.840 -0.034 0.000 0.754 942 L CB -1.669 40.376 42.059 -0.025 0.000 0.893 942 L HN 0.252 nan 8.230 nan 0.000 0.433 943 G N -1.593 107.190 108.800 -0.028 0.000 2.446 943 G HA2 -0.275 3.687 3.960 0.002 0.000 0.217 943 G HA3 -0.275 3.687 3.960 0.002 0.000 0.217 943 G C 1.515 176.391 174.900 -0.040 0.000 1.168 943 G CA 0.642 45.725 45.100 -0.028 0.000 0.771 943 G HN 0.456 nan 8.290 nan 0.000 0.551 944 Q N -0.298 119.472 119.800 -0.050 0.000 2.016 944 Q HA -0.051 4.291 4.340 0.002 0.000 0.200 944 Q C 2.725 178.670 176.000 -0.092 0.000 0.978 944 Q CA 0.980 56.737 55.803 -0.076 0.000 0.833 944 Q CB -0.234 28.449 28.738 -0.092 0.000 0.895 944 Q HN 0.371 nan 8.270 nan 0.000 0.427 945 I N 1.252 121.772 120.570 -0.082 0.000 2.113 945 I HA -0.320 3.851 4.170 0.002 0.000 0.242 945 I C 2.491 178.616 176.117 0.013 0.000 1.064 945 I CA 1.686 62.949 61.300 -0.061 0.000 1.320 945 I CB -1.646 36.309 38.000 -0.074 0.000 1.028 945 I HN 0.169 nan 8.210 nan 0.000 0.406 946 A N 0.882 123.708 122.820 0.010 0.000 1.958 946 A HA -0.182 4.139 4.320 0.002 0.000 0.221 946 A C 2.352 179.898 177.584 -0.063 0.000 1.178 946 A CA 2.252 54.300 52.037 0.017 0.000 0.642 946 A CB -0.817 18.182 19.000 -0.002 0.000 0.816 946 A HN 0.498 nan 8.150 nan 0.000 0.453 947 A N -1.430 121.341 122.820 -0.081 0.000 2.235 947 A HA 0.333 4.654 4.320 0.002 0.000 0.208 947 A C 1.558 179.047 177.584 -0.157 0.000 1.172 947 A CA 0.830 52.804 52.037 -0.106 0.000 0.786 947 A CB -0.472 18.482 19.000 -0.077 0.000 0.804 947 A HN 0.531 nan 8.150 nan 0.000 0.479 948 M N -0.266 119.208 119.600 -0.211 0.000 2.484 948 M HA 0.043 4.525 4.480 0.002 0.000 0.307 948 M C 1.677 177.591 176.300 -0.643 0.000 1.149 948 M CA 0.522 55.658 55.300 -0.273 0.000 0.972 948 M CB 0.297 32.793 32.600 -0.172 0.000 1.400 948 M HN 0.470 nan 8.290 nan 0.000 0.508 949 S N 1.031 116.175 115.700 -0.926 0.000 2.402 949 S HA -0.209 4.262 4.470 0.002 0.000 0.233 949 S C 1.442 175.516 174.600 -0.875 0.000 1.030 949 S CA 1.861 59.073 58.200 -1.646 0.000 1.003 949 S CB -0.609 62.148 63.200 -0.738 0.000 0.813 949 S HN 0.656 nan 8.310 nan 0.000 0.477 950 D N 1.378 121.525 120.400 -0.423 0.000 2.392 950 D HA -0.051 4.590 4.640 0.002 0.000 0.228 950 D C 1.503 177.757 176.300 -0.077 0.000 1.003 950 D CA 0.476 54.367 54.000 -0.182 0.000 0.917 950 D CB -0.311 40.424 40.800 -0.108 0.000 0.890 950 D HN 0.532 nan 8.370 nan 0.000 0.532 951 L N -1.473 119.682 121.223 -0.115 0.000 2.642 951 L HA 0.131 4.472 4.340 0.002 0.000 0.233 951 L C 2.132 179.186 176.870 0.306 0.000 1.077 951 L CA -0.364 54.530 54.840 0.091 0.000 0.879 951 L CB -0.250 41.849 42.059 0.066 0.000 1.151 951 L HN -0.088 nan 8.230 nan 0.000 0.495 952 Y N 0.594 120.958 120.300 0.106 0.000 1.977 952 Y HA -0.296 4.256 4.550 0.002 0.000 0.264 952 Y C 1.842 178.053 175.900 0.518 0.000 1.167 952 Y CA 1.182 59.436 58.100 0.257 0.000 1.102 952 Y CB -0.583 37.914 38.460 0.062 0.000 0.948 952 Y HN 0.060 nan 8.280 nan 0.000 0.489 953 T N 1.720 116.559 114.554 0.474 0.000 2.853 953 T HA 0.049 4.400 4.350 0.002 0.000 0.298 953 T C -0.257 174.603 174.700 0.266 0.000 0.978 953 T CA -0.770 61.529 62.100 0.332 0.000 1.152 953 T CB 0.383 69.391 68.868 0.233 0.000 0.914 953 T HN 0.031 nan 8.240 nan 0.000 0.539 954 K N 4.991 125.515 120.400 0.206 0.000 2.466 954 K HA 0.052 4.373 4.320 0.002 0.000 0.278 954 K C 0.207 176.909 176.600 0.170 0.000 1.048 954 K CA 0.493 56.871 56.287 0.151 0.000 1.088 954 K CB 0.253 32.799 32.500 0.077 0.000 0.884 954 K HN 0.444 nan 8.250 nan 0.000 0.478 955 K N 2.068 122.583 120.400 0.192 0.000 2.098 955 K HA 0.212 4.534 4.320 0.002 0.000 0.244 955 K C -0.392 176.334 176.600 0.210 0.000 1.014 955 K CA -0.462 55.978 56.287 0.255 0.000 0.917 955 K CB 1.506 34.262 32.500 0.426 0.000 1.072 955 K HN 0.569 nan 8.250 nan 0.000 0.477 956 S N 0.936 116.803 115.700 0.279 0.000 2.653 956 S HA 0.237 4.708 4.470 0.002 0.000 0.272 956 S C -0.883 173.907 174.600 0.317 0.000 1.221 956 S CA -0.718 57.618 58.200 0.227 0.000 1.149 956 S CB 0.203 63.578 63.200 0.292 0.000 1.029 956 S HN 0.237 nan 8.310 nan 0.000 0.481 957 V N 5.764 125.747 119.914 0.117 0.000 2.439 957 V HA 0.317 4.439 4.120 0.002 0.000 0.271 957 V C -0.315 175.767 176.094 -0.019 0.000 1.040 957 V CA 0.020 62.372 62.300 0.085 0.000 1.002 957 V CB -0.286 31.485 31.823 -0.086 0.000 1.000 957 V HN 0.806 nan 8.190 nan 0.000 0.477 958 W N 4.647 125.976 121.300 0.049 0.000 2.799 958 W HA 0.776 5.438 4.660 0.002 0.000 0.349 958 W C -0.374 176.161 176.519 0.026 0.000 1.100 958 W CA -0.599 56.799 57.345 0.090 0.000 1.174 958 W CB 1.560 31.101 29.460 0.134 0.000 1.427 958 W HN 0.289 nan 8.180 nan 0.000 0.547 959 I N 2.680 123.514 120.570 0.441 0.000 2.500 959 I HA 0.303 4.475 4.170 0.002 0.000 0.286 959 I C -0.870 175.575 176.117 0.546 0.000 1.063 959 I CA -0.606 60.851 61.300 0.261 0.000 1.062 959 I CB 1.043 39.151 38.000 0.180 0.000 1.223 959 I HN 0.199 nan 8.210 nan 0.000 0.435 960 F N 3.335 123.306 119.950 0.036 0.000 2.440 960 F HA 0.831 5.360 4.527 0.003 0.000 0.328 960 F C 0.865 176.548 175.800 -0.197 0.000 1.070 960 F CA -0.851 57.209 58.000 0.100 0.000 1.011 960 F CB 2.319 41.432 39.000 0.189 0.000 1.226 960 F HN 0.490 nan 8.300 nan 0.000 0.491 961 G N 0.466 109.360 108.800 0.156 0.000 2.402 961 G HA2 0.402 4.364 3.960 0.002 0.000 0.301 961 G HA3 0.402 4.364 3.960 0.002 0.000 0.301 961 G C -1.176 173.925 174.900 0.334 0.000 1.615 961 G CA -0.541 44.619 45.100 0.100 0.000 0.889 961 G HN 0.933 nan 8.290 nan 0.000 0.647 962 G N -0.363 108.638 108.800 0.335 0.000 2.621 962 G HA2 0.465 4.427 3.960 0.002 0.000 0.271 962 G HA3 0.465 4.427 3.960 0.002 0.000 0.271 962 G C 1.038 176.161 174.900 0.373 0.000 1.236 962 G CA 0.609 45.876 45.100 0.278 0.000 0.958 962 G HN 0.814 nan 8.290 nan 0.000 0.512 963 D N -0.620 119.942 120.400 0.270 0.000 2.144 963 D HA -0.118 4.523 4.640 0.002 0.000 0.199 963 D C 2.209 178.712 176.300 0.337 0.000 0.984 963 D CA 1.359 55.547 54.000 0.314 0.000 0.834 963 D CB -0.917 39.851 40.800 -0.053 0.000 0.955 963 D HN 0.476 nan 8.370 nan 0.000 0.465 964 G N 0.205 109.151 108.800 0.244 0.000 2.440 964 G HA2 -0.295 3.667 3.960 0.002 0.000 0.218 964 G HA3 -0.295 3.667 3.960 0.002 0.000 0.218 964 G C 1.400 176.424 174.900 0.207 0.000 1.154 964 G CA 0.906 46.084 45.100 0.131 0.000 0.767 964 G HN 0.441 nan 8.290 nan 0.000 0.552 965 W N 1.649 123.017 121.300 0.114 0.000 2.413 965 W HA 0.208 4.869 4.660 0.002 0.000 0.315 965 W C 2.692 179.236 176.519 0.042 0.000 1.186 965 W CA 2.186 59.497 57.345 -0.056 0.000 1.326 965 W CB -0.500 28.980 29.460 0.033 0.000 1.153 965 W HN 0.223 nan 8.180 nan 0.000 0.489 966 A N -0.655 121.983 122.820 -0.303 0.000 1.902 966 A HA -0.185 4.137 4.320 0.002 0.000 0.217 966 A C 1.855 179.238 177.584 -0.336 0.000 1.181 966 A CA 1.814 53.475 52.037 -0.626 0.000 0.623 966 A CB -1.395 17.479 19.000 -0.210 0.000 0.818 966 A HN 0.521 nan 8.150 nan 0.000 0.443 967 Y N 0.094 120.279 120.300 -0.191 0.000 2.365 967 Y HA 0.014 4.565 4.550 0.002 0.000 0.293 967 Y C 1.582 177.389 175.900 -0.154 0.000 1.119 967 Y CA 0.783 58.751 58.100 -0.219 0.000 1.203 967 Y CB -0.040 38.372 38.460 -0.080 0.000 1.026 967 Y HN 0.319 nan 8.280 nan 0.000 0.549 968 D N -1.051 119.426 120.400 0.129 0.000 3.435 968 D HA 0.032 4.673 4.640 0.002 0.000 0.209 968 D C 2.032 178.346 176.300 0.022 0.000 1.157 968 D CA -0.262 53.825 54.000 0.144 0.000 1.322 968 D CB -0.863 40.145 40.800 0.346 0.000 0.924 968 D HN 0.012 nan 8.370 nan 0.000 0.180 969 I N 0.934 121.490 120.570 -0.023 0.000 2.290 969 I HA -0.250 3.922 4.170 0.002 0.000 0.253 969 I C 1.589 177.555 176.117 -0.252 0.000 1.112 969 I CA 2.005 63.186 61.300 -0.199 0.000 1.377 969 I CB -0.010 37.790 38.000 -0.333 0.000 1.060 969 I HN 0.231 nan 8.210 nan 0.000 0.428 970 G N -1.768 106.810 108.800 -0.370 0.000 3.020 970 G HA2 -0.181 3.781 3.960 0.002 0.000 0.217 970 G HA3 -0.181 3.781 3.960 0.002 0.000 0.217 970 G C 1.157 175.780 174.900 -0.462 0.000 1.144 970 G CA 0.014 44.854 45.100 -0.433 0.000 0.760 970 G HN 0.415 nan 8.290 nan 0.000 0.548 971 Y N 2.350 122.359 120.300 -0.485 0.000 2.081 971 Y HA -0.160 4.392 4.550 0.003 0.000 0.280 971 Y C 2.583 178.339 175.900 -0.241 0.000 1.163 971 Y CA 1.747 59.616 58.100 -0.384 0.000 1.135 971 Y CB -0.684 37.624 38.460 -0.253 0.000 0.970 971 Y HN 0.108 nan 8.280 nan 0.000 0.498 972 G N -0.741 107.854 108.800 -0.342 0.000 2.503 972 G HA2 -0.299 3.663 3.960 0.002 0.000 0.221 972 G HA3 -0.299 3.663 3.960 0.002 0.000 0.221 972 G C 1.885 176.616 174.900 -0.282 0.000 1.131 972 G CA 1.026 45.907 45.100 -0.366 0.000 0.756 972 G HN 0.669 nan 8.290 nan 0.000 0.572 973 G N 0.513 109.189 108.800 -0.207 0.000 2.395 973 G HA2 -0.009 3.952 3.960 0.002 0.000 0.214 973 G HA3 -0.009 3.952 3.960 0.002 0.000 0.214 973 G C 1.719 176.559 174.900 -0.100 0.000 1.177 973 G CA 0.884 45.913 45.100 -0.118 0.000 0.794 973 G HN 0.422 nan 8.290 nan 0.000 0.532 974 L N 1.249 122.374 121.223 -0.163 0.000 2.042 974 L HA -0.039 4.303 4.340 0.002 0.000 0.210 974 L C 2.206 178.984 176.870 -0.152 0.000 1.076 974 L CA 2.799 57.562 54.840 -0.128 0.000 0.749 974 L CB -0.763 41.098 42.059 -0.331 0.000 0.893 974 L HN 0.350 nan 8.230 nan 0.000 0.432 975 D N -2.039 118.185 120.400 -0.293 0.000 2.117 975 D HA -0.295 4.347 4.640 0.002 0.000 0.197 975 D C 2.222 178.410 176.300 -0.188 0.000 0.987 975 D CA 1.350 55.187 54.000 -0.272 0.000 0.829 975 D CB -0.186 40.265 40.800 -0.582 0.000 0.961 975 D HN 0.579 nan 8.370 nan 0.000 0.460 976 H N -0.184 118.729 119.070 -0.261 0.000 2.333 976 H HA -0.042 4.516 4.556 0.002 0.000 0.302 976 H C 2.136 177.276 175.328 -0.313 0.000 1.075 976 H CA 1.394 57.295 56.048 -0.245 0.000 1.348 976 H CB -0.134 29.489 29.762 -0.232 0.000 1.393 976 H HN 0.110 nan 8.280 nan 0.000 0.509 977 V N 1.466 121.272 119.914 -0.179 0.000 2.407 977 V HA -0.252 3.870 4.120 0.002 0.000 0.248 977 V C 2.990 178.944 176.094 -0.233 0.000 1.055 977 V CA 1.409 63.509 62.300 -0.334 0.000 1.049 977 V CB -0.590 31.133 31.823 -0.167 0.000 0.662 977 V HN 0.321 nan 8.190 nan 0.000 0.455 978 L N 0.001 121.113 121.223 -0.184 0.000 2.093 978 L HA -0.109 4.232 4.340 0.002 0.000 0.208 978 L C 2.512 179.189 176.870 -0.321 0.000 1.085 978 L CA 1.464 56.194 54.840 -0.183 0.000 0.755 978 L CB -0.608 41.344 42.059 -0.178 0.000 0.904 978 L HN 0.367 nan 8.230 nan 0.000 0.435 979 A N -0.504 122.010 122.820 -0.510 0.000 2.206 979 A HA -0.099 4.223 4.320 0.002 0.000 0.211 979 A C 2.376 179.843 177.584 -0.195 0.000 1.158 979 A CA 1.127 52.825 52.037 -0.565 0.000 0.761 979 A CB -0.413 18.229 19.000 -0.596 0.000 0.801 979 A HN 0.506 nan 8.150 nan 0.000 0.473 980 S N -1.416 114.145 115.700 -0.231 0.000 2.453 980 S HA 0.249 4.720 4.470 0.002 0.000 0.231 980 S C 1.668 176.251 174.600 -0.029 0.000 1.005 980 S CA 1.257 59.363 58.200 -0.156 0.000 0.949 980 S CB -0.571 62.515 63.200 -0.191 0.000 0.774 980 S HN 1.831 nan 8.310 nan 0.000 0.510 981 G N 0.787 109.626 108.800 0.066 0.000 2.184 981 G HA2 -0.267 3.695 3.960 0.002 0.000 0.264 981 G HA3 -0.267 3.695 3.960 0.002 0.000 0.264 981 G C -0.114 174.833 174.900 0.079 0.000 0.975 981 G CA 0.455 45.608 45.100 0.088 0.000 0.642 981 G HN 0.641 nan 8.290 nan 0.000 0.536 982 E N 0.108 120.371 120.200 0.105 0.000 2.342 982 E HA 0.327 4.679 4.350 0.002 0.000 0.257 982 E C -0.481 176.156 176.600 0.061 0.000 1.150 982 E CA -0.593 55.844 56.400 0.063 0.000 0.926 982 E CB 0.542 30.301 29.700 0.099 0.000 1.074 982 E HN 0.078 nan 8.360 nan 0.000 0.449 983 D N 1.848 122.242 120.400 -0.010 0.000 2.508 983 D HA 0.118 4.759 4.640 0.002 0.000 0.224 983 D C -1.144 175.124 176.300 -0.053 0.000 1.171 983 D CA -0.102 53.881 54.000 -0.028 0.000 1.006 983 D CB -0.393 40.370 40.800 -0.062 0.000 1.073 983 D HN 0.221 nan 8.370 nan 0.000 0.513 984 V N 0.477 120.374 119.914 -0.028 0.000 2.962 984 V HA 0.658 4.780 4.120 0.002 0.000 0.313 984 V C -0.512 175.485 176.094 -0.162 0.000 1.099 984 V CA -1.126 61.127 62.300 -0.079 0.000 0.971 984 V CB 2.358 34.205 31.823 0.040 0.000 1.028 984 V HN 0.194 nan 8.190 nan 0.000 0.430 985 N N 1.993 120.477 118.700 -0.361 0.000 2.407 985 N HA 0.574 5.316 4.740 0.002 0.000 0.277 985 N C -0.734 174.679 175.510 -0.161 0.000 0.995 985 N CA -0.305 52.407 53.050 -0.562 0.000 0.903 985 N CB 2.333 39.773 38.487 -1.746 0.000 1.218 985 N HN 1.007 nan 8.380 nan 0.000 0.487 986 V N -0.281 119.697 119.914 0.107 0.000 2.384 986 V HA 0.598 4.719 4.120 0.002 0.000 0.287 986 V C -0.735 175.692 176.094 0.555 0.000 1.020 986 V CA -0.805 61.724 62.300 0.383 0.000 0.850 986 V CB 0.880 32.929 31.823 0.377 0.000 0.987 986 V HN 0.461 nan 8.190 nan 0.000 0.436 987 F N 5.717 125.998 119.950 0.553 0.000 2.375 987 F HA 0.746 5.274 4.527 0.002 0.000 0.361 987 F C -0.330 175.662 175.800 0.320 0.000 1.117 987 F CA -0.930 57.344 58.000 0.458 0.000 1.037 987 F CB 1.590 40.858 39.000 0.446 0.000 1.192 987 F HN 0.474 nan 8.300 nan 0.000 0.452 988 V N 7.918 127.732 119.914 -0.165 0.000 2.350 988 V HA 0.253 4.375 4.120 0.002 0.000 0.276 988 V C 0.110 175.959 176.094 -0.409 0.000 1.028 988 V CA -0.564 61.686 62.300 -0.082 0.000 0.860 988 V CB 1.304 33.230 31.823 0.172 0.000 0.990 988 V HN 0.700 nan 8.190 nan 0.000 0.453 989 M N 4.183 123.597 119.600 -0.310 0.000 2.664 989 M HA 0.248 4.729 4.480 0.002 0.000 0.332 989 M C 0.107 176.331 176.300 -0.126 0.000 1.354 989 M CA -0.071 55.032 55.300 -0.328 0.000 1.399 989 M CB -0.035 32.474 32.600 -0.152 0.000 1.224 989 M HN 0.497 nan 8.290 nan 0.000 0.479 990 D N 2.093 122.427 120.400 -0.111 0.000 2.363 990 D HA 0.004 4.646 4.640 0.002 0.000 0.263 990 D C 0.795 176.992 176.300 -0.172 0.000 1.258 990 D CA 0.400 54.391 54.000 -0.015 0.000 0.907 990 D CB 0.932 41.849 40.800 0.195 0.000 1.107 990 D HN 0.631 nan 8.370 nan 0.000 0.495 991 T N 0.021 114.516 114.554 -0.098 0.000 3.054 991 T HA 0.104 4.455 4.350 0.002 0.000 0.255 991 T C 0.679 175.333 174.700 -0.076 0.000 1.035 991 T CA -0.341 61.680 62.100 -0.132 0.000 0.941 991 T CB -0.137 68.697 68.868 -0.057 0.000 1.026 991 T HN 0.594 nan 8.240 nan 0.000 0.533 992 E N -0.449 119.722 120.200 -0.047 0.000 2.805 992 E HA -0.159 4.193 4.350 0.002 0.000 0.266 992 E C -0.341 176.251 176.600 -0.014 0.000 1.092 992 E CA 0.482 56.867 56.400 -0.024 0.000 0.781 992 E CB -1.822 27.930 29.700 0.086 0.000 1.379 992 E HN 0.520 nan 8.360 nan 0.000 0.433 993 V N -0.491 119.440 119.914 0.029 0.000 3.234 993 V HA 0.204 4.325 4.120 0.002 0.000 0.280 993 V C -1.694 174.531 176.094 0.218 0.000 1.580 993 V CA -0.925 61.414 62.300 0.065 0.000 1.032 993 V CB 1.427 33.233 31.823 -0.027 0.000 1.203 993 V HN 0.090 nan 8.190 nan 0.000 0.459 994 Y N 3.688 123.957 120.300 -0.052 0.000 2.568 994 Y HA 0.322 4.873 4.550 0.002 0.000 0.338 994 Y C 1.615 177.469 175.900 -0.076 0.000 1.245 994 Y CA 0.290 58.366 58.100 -0.041 0.000 1.667 994 Y CB 0.059 38.471 38.460 -0.079 0.000 1.568 994 Y HN 0.696 nan 8.280 nan 0.000 0.471 995 S N 1.734 117.483 115.700 0.081 0.000 2.404 995 S HA -0.293 4.178 4.470 0.002 0.000 0.216 995 S C 2.065 176.663 174.600 -0.003 0.000 1.039 995 S CA 1.657 59.869 58.200 0.021 0.000 1.062 995 S CB -0.415 62.803 63.200 0.029 0.000 1.046 995 S HN 0.809 nan 8.310 nan 0.000 0.415 996 N N 1.302 119.999 118.700 -0.006 0.000 2.171 996 N HA -0.219 4.523 4.740 0.002 0.000 0.200 996 N C 1.242 176.712 175.510 -0.067 0.000 0.991 996 N CA 2.601 55.630 53.050 -0.036 0.000 0.906 996 N CB -0.653 37.792 38.487 -0.070 0.000 1.060 996 N HN 0.590 nan 8.380 nan 0.000 0.510 997 T N -4.606 109.903 114.554 -0.075 0.000 3.188 997 T HA 0.462 4.813 4.350 0.002 0.000 0.250 997 T C 1.072 175.712 174.700 -0.100 0.000 1.077 997 T CA 0.155 62.201 62.100 -0.090 0.000 0.967 997 T CB 0.065 68.879 68.868 -0.091 0.000 1.006 997 T HN 0.461 nan 8.240 nan 0.000 0.552 998 G N 0.487 109.229 108.800 -0.097 0.000 2.145 998 G HA2 0.259 4.221 3.960 0.002 0.000 0.145 998 G HA3 0.259 4.221 3.960 0.002 0.000 0.145 998 G C 0.666 175.470 174.900 -0.160 0.000 1.017 998 G CA -0.245 44.776 45.100 -0.133 0.000 0.682 998 G HN 1.517 nan 8.290 nan 0.000 0.504 999 G N -0.859 107.872 108.800 -0.115 0.000 2.351 999 G HA2 -0.003 3.959 3.960 0.002 0.000 0.297 999 G HA3 -0.003 3.959 3.960 0.002 0.000 0.297 999 G C 0.094 174.860 174.900 -0.224 0.000 1.054 999 G CA 1.029 46.052 45.100 -0.130 0.000 1.123 999 G HN 1.050 nan 8.290 nan 0.000 0.512 1000 Q N -0.065 119.580 119.800 -0.259 0.000 2.227 1000 Q HA 0.670 5.012 4.340 0.002 0.000 0.245 1000 Q C 0.802 176.531 176.000 -0.452 0.000 0.926 1000 Q CA -0.043 55.469 55.803 -0.485 0.000 0.895 1000 Q CB 1.375 29.745 28.738 -0.614 0.000 1.230 1000 Q HN 0.401 nan 8.270 nan 0.000 0.450 1001 S N 0.628 116.104 115.700 -0.372 0.000 2.579 1001 S HA 0.511 4.982 4.470 0.002 0.000 0.275 1001 S C -0.471 173.908 174.600 -0.369 0.000 1.345 1001 S CA -0.064 57.984 58.200 -0.253 0.000 1.031 1001 S CB 0.117 63.255 63.200 -0.104 0.000 0.892 1001 S HN 0.636 nan 8.310 nan 0.000 0.529 1002 S N 2.939 118.533 115.700 -0.176 0.000 2.651 1002 S HA 0.487 4.959 4.470 0.002 0.000 0.279 1002 S C 0.184 174.789 174.600 0.008 0.000 1.148 1002 S CA -1.012 57.169 58.200 -0.032 0.000 0.837 1002 S CB 1.156 64.513 63.200 0.261 0.000 1.138 1002 S HN 0.694 nan 8.310 nan 0.000 0.478 1003 K N 0.207 120.648 120.400 0.068 0.000 2.442 1003 K HA -0.000 4.321 4.320 0.002 0.000 0.198 1003 K C 1.663 178.246 176.600 -0.028 0.000 1.044 1003 K CA 1.089 57.409 56.287 0.055 0.000 0.948 1003 K CB -0.436 32.131 32.500 0.111 0.000 0.762 1003 K HN 0.678 nan 8.250 nan 0.000 0.472 1004 A N 0.970 123.638 122.820 -0.253 0.000 2.218 1004 A HA 0.025 4.346 4.320 0.002 0.000 0.209 1004 A C 0.696 178.161 177.584 -0.199 0.000 1.168 1004 A CA 0.246 51.910 52.037 -0.621 0.000 0.804 1004 A CB 0.045 18.289 19.000 -1.260 0.000 0.834 1004 A HN 0.071 nan 8.150 nan 0.000 0.482 1005 T N 3.618 118.125 114.554 -0.079 0.000 2.851 1005 T HA 0.361 4.712 4.350 0.002 0.000 0.298 1005 T C -2.391 172.352 174.700 0.072 0.000 0.977 1005 T CA -0.820 61.282 62.100 0.002 0.000 1.126 1005 T CB 1.124 69.977 68.868 -0.026 0.000 0.916 1005 T HN 0.263 nan 8.240 nan 0.000 0.529 1006 P HA 0.139 nan 4.420 nan 0.000 0.274 1006 P C -0.296 177.145 177.300 0.234 0.000 1.246 1006 P CA -0.491 62.764 63.100 0.258 0.000 0.795 1006 P CB 0.327 32.331 31.700 0.506 0.000 1.006 1007 T N 0.659 115.352 114.554 0.231 0.000 2.928 1007 T HA 0.310 4.662 4.350 0.002 0.000 0.305 1007 T C 1.423 176.280 174.700 0.261 0.000 1.035 1007 T CA 1.510 63.722 62.100 0.187 0.000 1.145 1007 T CB -0.518 68.440 68.868 0.151 0.000 0.963 1007 T HN 0.819 nan 8.240 nan 0.000 0.545 1008 G N 1.881 110.790 108.800 0.182 0.000 2.184 1008 G HA2 -0.146 3.815 3.960 0.002 0.000 0.264 1008 G HA3 -0.146 3.815 3.960 0.002 0.000 0.264 1008 G C 0.292 175.319 174.900 0.212 0.000 0.975 1008 G CA -0.024 45.199 45.100 0.205 0.000 0.642 1008 G HN 1.211 nan 8.290 nan 0.000 0.536 1009 A N 0.014 122.908 122.820 0.124 0.000 2.409 1009 A HA 0.633 4.954 4.320 0.002 0.000 0.262 1009 A C 0.522 177.983 177.584 -0.204 0.000 1.113 1009 A CA 0.244 52.151 52.037 -0.215 0.000 0.790 1009 A CB 0.934 19.840 19.000 -0.156 0.000 1.046 1009 A HN 1.124 nan 8.150 nan 0.000 0.496 1010 V N 2.513 122.250 119.914 -0.294 0.000 2.368 1010 V HA 0.570 4.691 4.120 0.002 0.000 0.266 1010 V C 0.617 176.582 176.094 -0.215 0.000 1.045 1010 V CA 0.563 62.731 62.300 -0.219 0.000 0.899 1010 V CB 0.048 31.749 31.823 -0.204 0.000 1.006 1010 V HN 1.183 nan 8.190 nan 0.000 0.470 1011 A N 5.560 128.269 122.820 -0.185 0.000 2.566 1011 A HA 0.803 5.125 4.320 0.002 0.000 0.292 1011 A C -0.657 176.792 177.584 -0.224 0.000 1.112 1011 A CA -1.041 50.873 52.037 -0.204 0.000 0.707 1011 A CB 1.402 20.285 19.000 -0.196 0.000 1.302 1011 A HN 0.513 nan 8.150 nan 0.000 0.409 1012 K N 0.733 120.933 120.400 -0.333 0.000 2.484 1012 K HA 0.290 4.611 4.320 0.002 0.000 0.280 1012 K C -0.406 175.919 176.600 -0.458 0.000 1.013 1012 K CA 0.608 56.601 56.287 -0.490 0.000 1.029 1012 K CB -0.704 31.334 32.500 -0.770 0.000 0.902 1012 K HN 0.850 nan 8.250 nan 0.000 0.481 1013 F N -1.172 118.692 119.950 -0.142 0.000 2.439 1013 F HA -0.289 4.239 4.527 0.003 0.000 0.353 1013 F C 0.496 176.233 175.800 -0.106 0.000 0.600 1013 F CA 0.400 58.328 58.000 -0.120 0.000 1.636 1013 F CB -1.283 37.629 39.000 -0.146 0.000 2.155 1013 F HN 0.607 nan 8.300 nan 0.000 0.283 1014 A N -0.031 122.807 122.820 0.030 0.000 2.897 1014 A HA 0.757 5.078 4.320 0.002 0.000 0.230 1014 A C 0.862 178.393 177.584 -0.088 0.000 0.896 1014 A CA 0.466 52.483 52.037 -0.032 0.000 1.114 1014 A CB -0.072 18.893 19.000 -0.059 0.000 1.230 1014 A HN 0.610 nan 8.150 nan 0.000 0.481 1015 A N -0.352 122.427 122.820 -0.069 0.000 2.194 1015 A HA 0.249 4.570 4.320 0.002 0.000 0.220 1015 A C 1.466 178.930 177.584 -0.201 0.000 1.162 1015 A CA 1.860 53.836 52.037 -0.102 0.000 0.674 1015 A CB -0.115 18.861 19.000 -0.040 0.000 0.789 1015 A HN 1.689 nan 8.150 nan 0.000 0.470 1016 A N -1.351 121.319 122.820 -0.249 0.000 2.663 1016 A HA 0.540 4.861 4.320 0.002 0.000 0.273 1016 A C 0.811 178.198 177.584 -0.328 0.000 0.932 1016 A CA 0.553 52.294 52.037 -0.494 0.000 1.055 1016 A CB -0.766 17.932 19.000 -0.503 0.000 1.206 1016 A HN 2.047 nan 8.150 nan 0.000 0.485 1017 G N 0.465 109.139 108.800 -0.210 0.000 2.999 1017 G HA2 -0.134 3.828 3.960 0.002 0.000 0.686 1017 G HA3 -0.134 3.828 3.960 0.002 0.000 0.686 1017 G C -0.291 174.574 174.900 -0.059 0.000 1.057 1017 G CA -0.097 44.936 45.100 -0.112 0.000 0.784 1017 G HN 0.792 nan 8.290 nan 0.000 0.575 1018 K N 1.148 121.534 120.400 -0.025 0.000 2.448 1018 K HA 0.239 4.561 4.320 0.002 0.000 0.278 1018 K C 0.997 177.611 176.600 0.023 0.000 1.009 1018 K CA -0.152 56.136 56.287 0.002 0.000 0.995 1018 K CB 0.237 32.746 32.500 0.015 0.000 0.917 1018 K HN 0.384 nan 8.250 nan 0.000 0.481 1019 R N 2.328 122.839 120.500 0.020 0.000 2.552 1019 R HA 0.096 4.437 4.340 0.002 0.000 0.314 1019 R C -0.450 175.869 176.300 0.032 0.000 1.041 1019 R CA -0.005 56.111 56.100 0.027 0.000 1.076 1019 R CB 0.035 30.347 30.300 0.020 0.000 1.290 1019 R HN 0.773 nan 8.270 nan 0.000 0.563 1020 T N -3.501 111.076 114.554 0.037 0.000 2.933 1020 T HA 0.630 4.981 4.350 0.002 0.000 0.305 1020 T C 0.457 175.187 174.700 0.049 0.000 1.092 1020 T CA -0.782 61.340 62.100 0.037 0.000 1.008 1020 T CB 2.670 71.555 68.868 0.029 0.000 1.102 1020 T HN 0.093 nan 8.240 nan 0.000 0.469 1021 G N 1.006 109.836 108.800 0.050 0.000 2.667 1021 G HA2 0.374 4.335 3.960 0.002 0.000 0.250 1021 G HA3 0.374 4.335 3.960 0.002 0.000 0.250 1021 G C -0.238 174.697 174.900 0.058 0.000 1.212 1021 G CA -0.824 44.313 45.100 0.061 0.000 0.874 1021 G HN 1.000 nan 8.290 nan 0.000 0.561 1022 K N 0.261 120.701 120.400 0.068 0.000 2.412 1022 K HA 0.076 4.397 4.320 0.002 0.000 0.281 1022 K C 0.534 177.174 176.600 0.068 0.000 1.027 1022 K CA -0.294 56.032 56.287 0.066 0.000 0.989 1022 K CB 0.396 32.938 32.500 0.071 0.000 0.935 1022 K HN 0.443 nan 8.250 nan 0.000 0.475 1023 K N 3.894 124.355 120.400 0.102 0.000 2.416 1023 K HA -0.067 4.254 4.320 0.002 0.000 0.283 1023 K C -0.463 176.207 176.600 0.117 0.000 1.037 1023 K CA -0.114 56.234 56.287 0.102 0.000 0.995 1023 K CB 0.548 33.133 32.500 0.141 0.000 0.938 1023 K HN 0.545 nan 8.250 nan 0.000 0.475 1024 D N 5.786 126.186 120.400 0.001 0.000 2.551 1024 D HA -0.011 4.631 4.640 0.002 0.000 0.223 1024 D C 1.011 177.239 176.300 -0.120 0.000 1.144 1024 D CA -0.128 53.846 54.000 -0.043 0.000 1.025 1024 D CB 0.362 41.116 40.800 -0.076 0.000 1.085 1024 D HN 0.541 nan 8.370 nan 0.000 0.506 1025 L N 3.687 124.799 121.223 -0.186 0.000 2.046 1025 L HA -0.100 4.241 4.340 0.002 0.000 0.208 1025 L C 2.076 178.825 176.870 -0.202 0.000 1.077 1025 L CA 2.049 56.672 54.840 -0.361 0.000 0.747 1025 L CB -0.544 41.052 42.059 -0.772 0.000 0.896 1025 L HN 0.293 nan 8.230 nan 0.000 0.432 1026 A N -0.189 122.558 122.820 -0.123 0.000 1.851 1026 A HA -0.245 4.076 4.320 0.002 0.000 0.216 1026 A C 2.449 179.966 177.584 -0.112 0.000 1.195 1026 A CA 2.019 54.032 52.037 -0.040 0.000 0.622 1026 A CB -0.670 18.409 19.000 0.131 0.000 0.831 1026 A HN 0.494 nan 8.150 nan 0.000 0.444 1027 R N -1.290 119.117 120.500 -0.156 0.000 2.152 1027 R HA -0.037 4.305 4.340 0.002 0.000 0.232 1027 R C 2.220 178.376 176.300 -0.240 0.000 1.117 1027 R CA 1.419 57.367 56.100 -0.253 0.000 0.981 1027 R CB -0.350 29.797 30.300 -0.254 0.000 0.870 1027 R HN 0.594 nan 8.270 nan 0.000 0.451 1028 M N 0.073 119.562 119.600 -0.185 0.000 2.132 1028 M HA -0.137 4.345 4.480 0.002 0.000 0.263 1028 M C 2.346 178.538 176.300 -0.180 0.000 1.065 1028 M CA 1.497 56.697 55.300 -0.167 0.000 1.122 1028 M CB -0.093 32.443 32.600 -0.107 0.000 1.365 1028 M HN 0.075 nan 8.290 nan 0.000 0.411 1029 V N -2.547 117.299 119.914 -0.114 0.000 2.667 1029 V HA -0.129 3.992 4.120 0.002 0.000 0.252 1029 V C 1.962 177.972 176.094 -0.139 0.000 1.065 1029 V CA 1.230 63.519 62.300 -0.018 0.000 1.083 1029 V CB -0.888 30.946 31.823 0.018 0.000 0.692 1029 V HN 0.455 nan 8.190 nan 0.000 0.468 1030 M N 1.919 121.330 119.600 -0.315 0.000 2.539 1030 M HA -0.098 4.383 4.480 0.002 0.000 0.261 1030 M C 2.215 178.183 176.300 -0.553 0.000 1.069 1030 M CA 1.909 56.849 55.300 -0.599 0.000 1.081 1030 M CB -0.646 31.526 32.600 -0.713 0.000 1.412 1030 M HN 0.766 nan 8.290 nan 0.000 0.482 1031 T N -2.489 111.814 114.554 -0.418 0.000 2.915 1031 T HA -0.146 4.205 4.350 0.002 0.000 0.269 1031 T C 1.440 175.936 174.700 -0.341 0.000 1.071 1031 T CA 0.913 62.786 62.100 -0.378 0.000 1.132 1031 T CB -0.594 68.035 68.868 -0.398 0.000 0.878 1031 T HN 0.302 nan 8.240 nan 0.000 0.479 1032 Y N 2.416 122.523 120.300 -0.322 0.000 2.165 1032 Y HA 0.150 4.701 4.550 0.002 0.000 0.286 1032 Y C 2.649 178.374 175.900 -0.293 0.000 1.155 1032 Y CA 0.934 58.780 58.100 -0.424 0.000 1.164 1032 Y CB -0.950 37.038 38.460 -0.787 0.000 0.978 1032 Y HN 0.461 nan 8.280 nan 0.000 0.513 1033 G N -1.116 107.654 108.800 -0.050 0.000 2.253 1033 G HA2 -0.383 3.579 3.960 0.002 0.000 0.251 1033 G HA3 -0.383 3.579 3.960 0.002 0.000 0.251 1033 G C 0.644 175.728 174.900 0.307 0.000 0.998 1033 G CA 0.612 45.840 45.100 0.214 0.000 0.621 1033 G HN 0.606 nan 8.290 nan 0.000 0.524 1034 Y N -0.230 120.234 120.300 0.273 0.000 2.681 1034 Y HA 0.751 5.303 4.550 0.003 0.000 0.267 1034 Y C 0.095 176.097 175.900 0.170 0.000 1.166 1034 Y CA -1.090 57.162 58.100 0.253 0.000 1.209 1034 Y CB -0.090 38.679 38.460 0.513 0.000 1.161 1034 Y HN 0.253 nan 8.280 nan 0.000 0.534 1035 V N 1.468 121.377 119.914 -0.009 0.000 2.540 1035 V HA 0.208 4.330 4.120 0.002 0.000 0.302 1035 V C -1.028 174.966 176.094 -0.167 0.000 1.035 1035 V CA -1.278 60.994 62.300 -0.046 0.000 0.873 1035 V CB 1.488 33.222 31.823 -0.149 0.000 0.992 1035 V HN 0.282 nan 8.190 nan 0.000 0.428 1036 Y N 4.678 124.663 120.300 -0.525 0.000 2.436 1036 Y HA 0.549 5.100 4.550 0.002 0.000 0.336 1036 Y C -0.280 175.533 175.900 -0.145 0.000 1.049 1036 Y CA 0.187 57.972 58.100 -0.526 0.000 1.294 1036 Y CB 1.002 38.943 38.460 -0.866 0.000 1.179 1036 Y HN 0.433 nan 8.280 nan 0.000 0.520 1037 V N 5.491 125.193 119.914 -0.355 0.000 2.735 1037 V HA 0.921 5.042 4.120 0.002 0.000 0.310 1037 V C -0.689 175.335 176.094 -0.118 0.000 1.061 1037 V CA -0.469 61.769 62.300 -0.104 0.000 0.913 1037 V CB 1.416 33.222 31.823 -0.027 0.000 1.005 1037 V HN 0.930 nan 8.190 nan 0.000 0.428 1038 A N 2.537 125.378 122.820 0.035 0.000 2.612 1038 A HA 0.931 5.252 4.320 0.002 0.000 0.293 1038 A C -0.506 177.057 177.584 -0.036 0.000 1.075 1038 A CA -0.282 51.759 52.037 0.007 0.000 0.680 1038 A CB 2.166 21.247 19.000 0.135 0.000 1.279 1038 A HN 1.003 nan 8.150 nan 0.000 0.411 1039 T N -1.087 113.311 114.554 -0.259 0.000 2.863 1039 T HA 0.819 5.170 4.350 0.002 0.000 0.285 1039 T C -0.079 174.720 174.700 0.166 0.000 1.009 1039 T CA -0.096 61.919 62.100 -0.141 0.000 0.989 1039 T CB 0.982 69.436 68.868 -0.690 0.000 1.004 1039 T HN 2.076 nan 8.240 nan 0.000 0.455 1040 V N -1.541 118.655 119.914 0.470 0.000 3.158 1040 V HA 0.989 5.110 4.120 0.002 0.000 0.311 1040 V C -0.384 176.043 176.094 0.555 0.000 1.181 1040 V CA -0.947 61.672 62.300 0.532 0.000 1.054 1040 V CB 1.734 33.967 31.823 0.684 0.000 1.085 1040 V HN 1.152 nan 8.190 nan 0.000 0.446 1041 S N 1.075 117.054 115.700 0.464 0.000 2.441 1041 S HA 0.248 4.720 4.470 0.002 0.000 0.187 1041 S C 0.368 175.140 174.600 0.287 0.000 0.917 1041 S CA 0.091 58.504 58.200 0.356 0.000 1.078 1041 S CB 0.683 64.054 63.200 0.285 0.000 1.379 1041 S HN 1.049 nan 8.310 nan 0.000 0.399 1042 M N 3.372 123.048 119.600 0.126 0.000 2.116 1042 M HA -0.124 4.358 4.480 0.002 0.000 0.255 1042 M C 1.869 178.204 176.300 0.058 0.000 1.075 1042 M CA 2.722 57.996 55.300 -0.043 0.000 1.087 1042 M CB -0.647 31.677 32.600 -0.459 0.000 1.340 1042 M HN 0.773 nan 8.290 nan 0.000 0.402 1043 G N -1.365 107.490 108.800 0.091 0.000 2.432 1043 G HA2 -0.299 3.663 3.960 0.002 0.000 0.219 1043 G HA3 -0.299 3.663 3.960 0.002 0.000 0.219 1043 G C 1.169 176.156 174.900 0.146 0.000 1.135 1043 G CA 0.977 46.140 45.100 0.105 0.000 0.767 1043 G HN 0.617 nan 8.290 nan 0.000 0.550 1044 Y N 0.842 121.181 120.300 0.066 0.000 2.243 1044 Y HA 0.312 4.863 4.550 0.001 0.000 0.293 1044 Y C 0.919 176.855 175.900 0.061 0.000 1.124 1044 Y CA 0.848 58.987 58.100 0.064 0.000 1.159 1044 Y CB 0.275 38.789 38.460 0.090 0.000 1.008 1044 Y HN 0.155 nan 8.280 nan 0.000 0.527 1045 S N -0.429 115.268 115.700 -0.005 0.000 2.616 1045 S HA 0.284 4.755 4.470 0.002 0.000 0.276 1045 S C -0.184 174.457 174.600 0.067 0.000 1.159 1045 S CA -0.786 57.355 58.200 -0.098 0.000 1.000 1045 S CB 0.862 63.950 63.200 -0.186 0.000 1.117 1045 S HN 0.315 nan 8.310 nan 0.000 0.464 1046 K N 2.553 122.937 120.400 -0.026 0.000 2.228 1046 K HA -0.028 4.294 4.320 0.002 0.000 0.202 1046 K C 1.559 178.205 176.600 0.077 0.000 1.051 1046 K CA 1.000 57.290 56.287 0.005 0.000 0.960 1046 K CB -0.017 32.152 32.500 -0.551 0.000 0.743 1046 K HN 0.478 nan 8.250 nan 0.000 0.458 1047 Q N 0.876 120.668 119.800 -0.013 0.000 2.079 1047 Q HA -0.139 4.202 4.340 0.002 0.000 0.200 1047 Q C 2.122 178.180 176.000 0.097 0.000 0.974 1047 Q CA 1.233 57.043 55.803 0.012 0.000 0.840 1047 Q CB -0.103 28.615 28.738 -0.033 0.000 0.898 1047 Q HN 0.206 nan 8.270 nan 0.000 0.430 1048 Q N -0.379 119.504 119.800 0.139 0.000 2.084 1048 Q HA -0.164 4.178 4.340 0.002 0.000 0.202 1048 Q C 1.913 178.094 176.000 0.303 0.000 0.978 1048 Q CA 1.221 57.145 55.803 0.201 0.000 0.844 1048 Q CB -0.239 28.637 28.738 0.230 0.000 0.898 1048 Q HN 0.432 nan 8.270 nan 0.000 0.426 1049 F N 1.170 121.250 119.950 0.216 0.000 2.102 1049 F HA -0.190 4.339 4.527 0.002 0.000 0.298 1049 F C 2.008 177.966 175.800 0.265 0.000 1.105 1049 F CA 1.299 59.474 58.000 0.291 0.000 1.239 1049 F CB -0.581 38.621 39.000 0.337 0.000 0.991 1049 F HN 0.044 nan 8.300 nan 0.000 0.474 1050 L N 0.303 121.545 121.223 0.032 0.000 2.046 1050 L HA -0.244 4.098 4.340 0.002 0.000 0.208 1050 L C 2.629 179.491 176.870 -0.012 0.000 1.077 1050 L CA 1.907 56.689 54.840 -0.097 0.000 0.747 1050 L CB -0.870 41.204 42.059 0.025 0.000 0.896 1050 L HN 0.124 nan 8.230 nan 0.000 0.432 1051 K N 0.190 120.631 120.400 0.068 0.000 2.063 1051 K HA -0.184 4.137 4.320 0.002 0.000 0.208 1051 K C 1.956 178.634 176.600 0.131 0.000 1.048 1051 K CA 1.622 57.967 56.287 0.096 0.000 0.928 1051 K CB -0.005 32.560 32.500 0.109 0.000 0.713 1051 K HN 0.109 nan 8.250 nan 0.000 0.442 1052 V N 1.631 121.648 119.914 0.171 0.000 2.307 1052 V HA -0.239 3.882 4.120 0.002 0.000 0.245 1052 V C 2.338 178.549 176.094 0.195 0.000 1.045 1052 V CA 1.545 63.997 62.300 0.254 0.000 1.024 1052 V CB -0.390 31.645 31.823 0.353 0.000 0.651 1052 V HN 0.319 nan 8.190 nan 0.000 0.449 1053 L N 0.052 121.349 121.223 0.124 0.000 2.042 1053 L HA -0.233 4.109 4.340 0.002 0.000 0.210 1053 L C 2.635 179.704 176.870 0.333 0.000 1.076 1053 L CA 2.052 57.041 54.840 0.248 0.000 0.749 1053 L CB -0.675 41.436 42.059 0.086 0.000 0.893 1053 L HN 0.356 nan 8.230 nan 0.000 0.432 1054 K N 0.603 121.137 120.400 0.223 0.000 2.002 1054 K HA -0.221 4.101 4.320 0.002 0.000 0.209 1054 K C 1.907 178.567 176.600 0.100 0.000 1.048 1054 K CA 1.842 58.258 56.287 0.215 0.000 0.930 1054 K CB -0.016 32.559 32.500 0.125 0.000 0.714 1054 K HN 0.357 nan 8.250 nan 0.000 0.438 1055 E N 0.055 120.262 120.200 0.012 0.000 2.028 1055 E HA -0.147 4.204 4.350 0.002 0.000 0.191 1055 E C 2.072 178.369 176.600 -0.505 0.000 0.988 1055 E CA 0.992 57.295 56.400 -0.161 0.000 0.799 1055 E CB -0.162 29.493 29.700 -0.075 0.000 0.755 1055 E HN 0.438 nan 8.360 nan 0.000 0.447 1056 A N 1.802 124.233 122.820 -0.648 0.000 1.865 1056 A HA -0.258 4.064 4.320 0.002 0.000 0.217 1056 A C 2.194 179.603 177.584 -0.291 0.000 1.191 1056 A CA 1.593 53.221 52.037 -0.681 0.000 0.623 1056 A CB -0.504 18.406 19.000 -0.150 0.000 0.826 1056 A HN 0.148 nan 8.150 nan 0.000 0.444 1057 E N 0.629 120.721 120.200 -0.181 0.000 2.085 1057 E HA -0.177 4.175 4.350 0.002 0.000 0.194 1057 E C 2.335 178.823 176.600 -0.185 0.000 0.994 1057 E CA 1.832 58.061 56.400 -0.285 0.000 0.801 1057 E CB -0.301 29.089 29.700 -0.517 0.000 0.743 1057 E HN 0.668 nan 8.360 nan 0.000 0.453 1058 S N -0.311 115.340 115.700 -0.082 0.000 2.489 1058 S HA -0.085 4.387 4.470 0.002 0.000 0.228 1058 S C 0.921 175.515 174.600 -0.011 0.000 0.995 1058 S CA -0.354 57.830 58.200 -0.026 0.000 0.934 1058 S CB -0.595 62.620 63.200 0.026 0.000 0.771 1058 S HN 0.201 nan 8.310 nan 0.000 0.522 1059 F N 5.665 125.507 119.950 -0.180 0.000 2.571 1059 F HA 0.234 4.762 4.527 0.003 0.000 0.390 1059 F C -1.549 174.221 175.800 -0.051 0.000 1.043 1059 F CA -2.434 55.495 58.000 -0.119 0.000 1.164 1059 F CB 0.591 39.480 39.000 -0.187 0.000 1.049 1059 F HN 0.087 nan 8.300 nan 0.000 0.552 1060 P HA 0.020 nan 4.420 nan 0.000 0.249 1060 P C 0.256 177.360 177.300 -0.327 0.000 1.227 1060 P CA 0.816 63.710 63.100 -0.344 0.000 0.753 1060 P CB -0.229 31.300 31.700 -0.284 0.000 0.966 1061 G N 0.199 108.781 108.800 -0.363 0.000 3.021 1061 G HA2 0.485 4.446 3.960 0.002 0.000 0.290 1061 G HA3 0.485 4.446 3.960 0.002 0.000 0.290 1061 G C -3.253 171.863 174.900 0.359 0.000 1.291 1061 G CA -1.461 43.670 45.100 0.052 0.000 0.834 1061 G HN -0.223 nan 8.290 nan 0.000 0.564 1062 P HA 0.263 nan 4.420 nan 0.000 0.268 1062 P C -0.647 176.793 177.300 0.234 0.000 1.204 1062 P CA 0.318 63.557 63.100 0.232 0.000 0.768 1062 P CB 1.351 33.150 31.700 0.164 0.000 0.842 1063 S N 2.589 118.361 115.700 0.120 0.000 2.536 1063 S HA 0.596 5.068 4.470 0.002 0.000 0.287 1063 S C -0.650 174.029 174.600 0.133 0.000 1.101 1063 S CA -0.684 57.589 58.200 0.121 0.000 0.950 1063 S CB 1.231 64.447 63.200 0.027 0.000 1.056 1063 S HN 0.471 nan 8.310 nan 0.000 0.481 1064 L N 3.463 124.804 121.223 0.197 0.000 2.409 1064 L HA 0.770 5.112 4.340 0.002 0.000 0.272 1064 L C -1.757 175.273 176.870 0.267 0.000 0.980 1064 L CA -0.604 54.358 54.840 0.202 0.000 0.826 1064 L CB 1.340 43.470 42.059 0.119 0.000 1.268 1064 L HN 0.478 nan 8.230 nan 0.000 0.407 1065 V N 6.554 126.673 119.914 0.342 0.000 2.398 1065 V HA 0.370 4.492 4.120 0.002 0.000 0.282 1065 V C 0.072 176.319 176.094 0.256 0.000 1.014 1065 V CA -0.320 62.219 62.300 0.397 0.000 0.838 1065 V CB 1.454 33.681 31.823 0.674 0.000 1.018 1065 V HN 0.573 nan 8.190 nan 0.000 0.432 1066 I N 4.326 125.008 120.570 0.187 0.000 2.337 1066 I HA 0.607 4.778 4.170 0.002 0.000 0.291 1066 I C 0.668 176.955 176.117 0.282 0.000 1.046 1066 I CA 0.021 61.428 61.300 0.178 0.000 1.324 1066 I CB 1.267 39.402 38.000 0.225 0.000 1.409 1066 I HN 0.632 nan 8.210 nan 0.000 0.494 1067 A N 6.463 129.267 122.820 -0.026 0.000 2.330 1067 A HA 0.403 4.724 4.320 0.002 0.000 0.327 1067 A C -0.990 176.389 177.584 -0.341 0.000 1.155 1067 A CA -0.461 51.468 52.037 -0.179 0.000 0.803 1067 A CB 0.587 19.090 19.000 -0.827 0.000 1.208 1067 A HN 0.615 nan 8.150 nan 0.000 0.477 1068 Y N 2.568 122.487 120.300 -0.635 0.000 2.587 1068 Y HA 0.391 4.943 4.550 0.003 0.000 0.344 1068 Y C 0.408 176.047 175.900 -0.436 0.000 1.061 1068 Y CA 0.012 57.483 58.100 -1.049 0.000 1.370 1068 Y CB 0.206 37.708 38.460 -1.597 0.000 1.163 1068 Y HN 0.776 nan 8.280 nan 0.000 0.527 1069 A N 5.303 127.661 122.820 -0.771 0.000 2.287 1069 A HA 0.507 4.828 4.320 0.002 0.000 0.317 1069 A C 0.041 177.333 177.584 -0.487 0.000 1.220 1069 A CA -0.375 51.410 52.037 -0.420 0.000 0.835 1069 A CB 0.037 18.880 19.000 -0.262 0.000 1.180 1069 A HN 0.787 nan 8.150 nan 0.000 0.500 1070 T N -0.927 113.464 114.554 -0.272 0.000 2.898 1070 T HA 0.459 4.811 4.350 0.002 0.000 0.301 1070 T C 0.021 174.653 174.700 -0.113 0.000 1.049 1070 T CA -0.440 61.552 62.100 -0.180 0.000 1.095 1070 T CB 0.899 69.749 68.868 -0.031 0.000 0.976 1070 T HN 1.302 nan 8.240 nan 0.000 0.539 1071 C N 3.767 123.014 119.300 -0.089 0.000 3.082 1071 C HA 0.492 4.954 4.460 0.002 0.000 0.324 1071 C C 1.777 176.741 174.990 -0.043 0.000 1.210 1071 C CA -0.928 58.058 59.018 -0.054 0.000 1.366 1071 C CB 0.012 27.716 27.740 -0.059 0.000 1.756 1071 C HN 1.082 nan 8.230 nan 0.000 0.485 1072 I N 1.648 122.202 120.570 -0.027 0.000 2.315 1072 I HA -0.175 3.996 4.170 0.002 0.000 0.251 1072 I C 1.745 177.833 176.117 -0.047 0.000 1.125 1072 I CA 2.220 63.503 61.300 -0.028 0.000 1.392 1072 I CB -0.651 37.340 38.000 -0.015 0.000 1.065 1072 I HN 0.781 nan 8.210 nan 0.000 0.424 1073 N N 0.885 119.552 118.700 -0.055 0.000 2.272 1073 N HA -0.205 4.537 4.740 0.002 0.000 0.185 1073 N C 1.825 177.275 175.510 -0.101 0.000 1.014 1073 N CA 1.123 54.126 53.050 -0.079 0.000 0.870 1073 N CB -0.173 38.266 38.487 -0.080 0.000 0.975 1073 N HN 0.594 nan 8.380 nan 0.000 0.433 1074 Q N 0.003 119.747 119.800 -0.093 0.000 2.364 1074 Q HA 0.017 4.358 4.340 0.002 0.000 0.207 1074 Q C 0.726 176.662 176.000 -0.106 0.000 0.970 1074 Q CA 0.458 56.193 55.803 -0.112 0.000 0.888 1074 Q CB 0.230 28.922 28.738 -0.077 0.000 0.951 1074 Q HN 0.399 nan 8.270 nan 0.000 0.469 1075 G N 1.587 110.340 108.800 -0.078 0.000 2.359 1075 G HA2 -0.266 3.695 3.960 0.002 0.000 0.298 1075 G HA3 -0.266 3.695 3.960 0.002 0.000 0.298 1075 G C -0.302 174.567 174.900 -0.052 0.000 1.030 1075 G CA -0.226 44.836 45.100 -0.063 0.000 1.149 1075 G HN 0.249 nan 8.290 nan 0.000 0.512 1076 L N -0.061 121.138 121.223 -0.040 0.000 2.534 1076 L HA 0.147 4.488 4.340 0.002 0.000 0.271 1076 L C 2.103 178.960 176.870 -0.022 0.000 1.178 1076 L CA -0.066 54.756 54.840 -0.031 0.000 0.907 1076 L CB 0.399 42.450 42.059 -0.013 0.000 1.164 1076 L HN 0.515 nan 8.230 nan 0.000 0.482 1077 R N 3.374 123.860 120.500 -0.023 0.000 2.096 1077 R HA -0.174 4.167 4.340 0.002 0.000 0.240 1077 R C 1.441 177.738 176.300 -0.005 0.000 1.139 1077 R CA 1.850 57.941 56.100 -0.013 0.000 0.952 1077 R CB 0.114 30.407 30.300 -0.013 0.000 0.854 1077 R HN 0.575 nan 8.270 nan 0.000 0.436 1078 K N -0.638 119.761 120.400 -0.001 0.000 2.404 1078 K HA 0.212 4.534 4.320 0.002 0.000 0.194 1078 K C 0.029 176.633 176.600 0.007 0.000 1.023 1078 K CA 0.420 56.710 56.287 0.005 0.000 1.094 1078 K CB 1.205 33.711 32.500 0.010 0.000 0.841 1078 K HN 0.434 nan 8.250 nan 0.000 0.523 1079 G N 0.950 109.753 108.800 0.004 0.000 2.576 1079 G HA2 -0.167 3.794 3.960 0.002 0.000 0.686 1079 G HA3 -0.167 3.794 3.960 0.002 0.000 0.686 1079 G C 0.204 175.110 174.900 0.009 0.000 1.242 1079 G CA -0.897 44.206 45.100 0.005 0.000 0.819 1079 G HN -0.148 nan 8.290 nan 0.000 0.655 1080 M N 1.114 120.718 119.600 0.007 0.000 2.446 1080 M HA -0.020 4.462 4.480 0.002 0.000 0.263 1080 M C 2.563 178.872 176.300 0.015 0.000 1.066 1080 M CA 1.968 57.274 55.300 0.010 0.000 1.087 1080 M CB -1.289 31.315 32.600 0.007 0.000 1.406 1080 M HN 1.077 nan 8.290 nan 0.000 0.459 1081 G N 0.118 108.927 108.800 0.014 0.000 2.586 1081 G HA2 -0.162 3.799 3.960 0.002 0.000 0.215 1081 G HA3 -0.162 3.799 3.960 0.002 0.000 0.215 1081 G C 1.509 176.424 174.900 0.024 0.000 1.128 1081 G CA 0.493 45.603 45.100 0.017 0.000 0.774 1081 G HN 0.319 nan 8.290 nan 0.000 0.543 1082 K N 0.727 121.144 120.400 0.028 0.000 2.397 1082 K HA 0.247 4.569 4.320 0.002 0.000 0.202 1082 K C 2.063 178.696 176.600 0.055 0.000 1.022 1082 K CA -0.017 56.294 56.287 0.040 0.000 1.141 1082 K CB 0.469 32.992 32.500 0.037 0.000 0.857 1082 K HN 0.151 nan 8.250 nan 0.000 0.514 1083 S N 1.909 117.638 115.700 0.048 0.000 2.377 1083 S HA -0.202 4.269 4.470 0.002 0.000 0.224 1083 S C 1.803 176.455 174.600 0.086 0.000 1.042 1083 S CA 1.363 59.601 58.200 0.063 0.000 1.086 1083 S CB -0.060 63.162 63.200 0.036 0.000 0.995 1083 S HN 0.350 nan 8.310 nan 0.000 0.428 1084 Q N 0.650 120.487 119.800 0.061 0.000 2.112 1084 Q HA -0.206 4.135 4.340 0.002 0.000 0.206 1084 Q C 1.981 178.036 176.000 0.091 0.000 0.987 1084 Q CA 1.695 57.538 55.803 0.065 0.000 0.858 1084 Q CB -0.735 28.027 28.738 0.041 0.000 0.905 1084 Q HN 0.596 nan 8.270 nan 0.000 0.420 1085 D N -0.112 120.338 120.400 0.083 0.000 2.123 1085 D HA -0.127 4.515 4.640 0.002 0.000 0.196 1085 D C 1.857 178.233 176.300 0.127 0.000 0.992 1085 D CA 1.084 55.138 54.000 0.090 0.000 0.833 1085 D CB 0.172 41.015 40.800 0.072 0.000 0.954 1085 D HN 0.039 nan 8.370 nan 0.000 0.455 1086 V N 0.379 120.384 119.914 0.151 0.000 2.548 1086 V HA -0.203 3.918 4.120 0.002 0.000 0.249 1086 V C 2.422 178.681 176.094 0.275 0.000 1.055 1086 V CA 1.453 63.894 62.300 0.235 0.000 1.065 1086 V CB -0.489 31.467 31.823 0.222 0.000 0.681 1086 V HN 0.330 nan 8.190 nan 0.000 0.462 1087 M N 0.035 119.774 119.600 0.231 0.000 2.229 1087 M HA -0.167 4.314 4.480 0.002 0.000 0.264 1087 M C 2.093 178.473 176.300 0.133 0.000 1.063 1087 M CA 1.909 57.342 55.300 0.223 0.000 1.114 1087 M CB -0.770 31.960 32.600 0.216 0.000 1.387 1087 M HN 0.471 nan 8.290 nan 0.000 0.420 1088 N N -0.024 118.766 118.700 0.150 0.000 2.051 1088 N HA -0.144 4.597 4.740 0.002 0.000 0.192 1088 N C 1.456 177.010 175.510 0.073 0.000 1.049 1088 N CA 1.783 54.939 53.050 0.178 0.000 0.845 1088 N CB 0.133 38.715 38.487 0.158 0.000 1.031 1088 N HN 0.185 nan 8.380 nan 0.000 0.425 1089 T N 0.640 115.222 114.554 0.045 0.000 2.737 1089 T HA -0.143 4.208 4.350 0.002 0.000 0.269 1089 T C 1.839 176.330 174.700 -0.348 0.000 1.040 1089 T CA 1.141 63.208 62.100 -0.055 0.000 1.142 1089 T CB -0.430 68.493 68.868 0.092 0.000 0.861 1089 T HN 0.434 nan 8.240 nan 0.000 0.456 1090 A N 0.639 123.223 122.820 -0.393 0.000 1.986 1090 A HA -0.086 4.235 4.320 0.002 0.000 0.220 1090 A C 2.507 179.854 177.584 -0.395 0.000 1.171 1090 A CA 1.613 53.224 52.037 -0.710 0.000 0.640 1090 A CB -0.766 17.912 19.000 -0.537 0.000 0.811 1090 A HN 0.411 nan 8.150 nan 0.000 0.451 1091 V N -0.462 119.284 119.914 -0.281 0.000 2.341 1091 V HA -0.148 3.973 4.120 0.002 0.000 0.240 1091 V C 2.254 178.120 176.094 -0.380 0.000 1.035 1091 V CA 1.851 63.949 62.300 -0.337 0.000 1.033 1091 V CB -0.701 30.718 31.823 -0.674 0.000 0.678 1091 V HN 0.484 nan 8.190 nan 0.000 0.464 1092 K N 1.412 121.616 120.400 -0.327 0.000 2.160 1092 K HA -0.185 4.137 4.320 0.002 0.000 0.206 1092 K C 2.185 178.658 176.600 -0.213 0.000 1.047 1092 K CA 1.834 57.997 56.287 -0.206 0.000 0.930 1092 K CB -0.358 32.108 32.500 -0.056 0.000 0.720 1092 K HN 0.637 nan 8.250 nan 0.000 0.450 1093 S N -0.839 114.709 115.700 -0.255 0.000 2.522 1093 S HA 0.056 4.528 4.470 0.002 0.000 0.227 1093 S C 1.543 176.010 174.600 -0.221 0.000 0.986 1093 S CA 0.585 58.641 58.200 -0.241 0.000 0.929 1093 S CB 0.204 63.196 63.200 -0.348 0.000 0.769 1093 S HN 0.471 nan 8.310 nan 0.000 0.529 1094 G N 0.177 108.833 108.800 -0.240 0.000 2.175 1094 G HA2 -0.382 3.580 3.960 0.002 0.000 0.244 1094 G HA3 -0.382 3.580 3.960 0.002 0.000 0.244 1094 G C 0.387 175.242 174.900 -0.075 0.000 0.982 1094 G CA 0.374 45.343 45.100 -0.218 0.000 0.641 1094 G HN 0.524 nan 8.290 nan 0.000 0.527 1095 Y N -0.200 119.959 120.300 -0.235 0.000 2.114 1095 Y HA 0.130 4.682 4.550 0.003 0.000 0.284 1095 Y C 1.411 177.307 175.900 -0.007 0.000 1.143 1095 Y CA 2.085 60.093 58.100 -0.153 0.000 1.135 1095 Y CB 0.136 38.370 38.460 -0.377 0.000 0.980 1095 Y HN 0.366 nan 8.280 nan 0.000 0.499 1096 W N 4.775 125.927 121.300 -0.246 0.000 2.317 1096 W HA 0.313 4.974 4.660 0.002 0.000 0.290 1096 W C -2.872 173.561 176.519 -0.144 0.000 0.937 1096 W CA -2.250 54.948 57.345 -0.245 0.000 1.790 1096 W CB 0.574 29.833 29.460 -0.334 0.000 1.847 1096 W HN 0.013 nan 8.180 nan 0.000 0.411 1097 P HA 0.062 nan 4.420 nan 0.000 0.271 1097 P C -0.314 176.958 177.300 -0.047 0.000 1.220 1097 P CA 0.428 63.570 63.100 0.070 0.000 0.768 1097 P CB 1.657 33.565 31.700 0.345 0.000 0.848 1098 L N 5.069 126.305 121.223 0.022 0.000 2.334 1098 L HA 0.563 4.904 4.340 0.002 0.000 0.277 1098 L C 0.372 177.261 176.870 0.031 0.000 1.075 1098 L CA -0.547 54.259 54.840 -0.057 0.000 0.804 1098 L CB 0.217 42.358 42.059 0.137 0.000 1.174 1098 L HN 0.454 nan 8.230 nan 0.000 0.438 1099 F N 0.283 120.232 119.950 -0.001 0.000 2.770 1099 F HA 0.692 5.220 4.527 0.002 0.000 0.313 1099 F C -1.222 174.499 175.800 -0.132 0.000 1.154 1099 F CA -1.411 56.493 58.000 -0.159 0.000 0.923 1099 F CB 1.466 40.330 39.000 -0.226 0.000 1.301 1099 F HN 0.238 nan 8.300 nan 0.000 0.449 1100 R N 0.852 121.373 120.500 0.034 0.000 2.575 1100 R HA 0.415 4.757 4.340 0.002 0.000 0.293 1100 R C -2.314 173.926 176.300 -0.099 0.000 0.983 1100 R CA -0.949 55.130 56.100 -0.035 0.000 0.887 1100 R CB 2.569 32.837 30.300 -0.054 0.000 1.184 1100 R HN 0.843 nan 8.270 nan 0.000 0.445 1101 Y N 2.684 122.817 120.300 -0.279 0.000 2.721 1101 Y HA 0.206 4.757 4.550 0.002 0.000 0.328 1101 Y C -0.865 174.710 175.900 -0.542 0.000 1.003 1101 Y CA -0.644 57.316 58.100 -0.232 0.000 1.275 1101 Y CB 0.760 39.170 38.460 -0.083 0.000 1.097 1101 Y HN 0.454 nan 8.280 nan 0.000 0.514 1102 D N 7.739 127.802 120.400 -0.561 0.000 2.373 1102 D HA 0.241 4.883 4.640 0.002 0.000 0.227 1102 D C -2.073 174.001 176.300 -0.375 0.000 1.091 1102 D CA -2.272 51.533 54.000 -0.326 0.000 0.840 1102 D CB 2.239 43.055 40.800 0.027 0.000 1.060 1102 D HN 0.309 nan 8.370 nan 0.000 0.502 1103 P HA -0.153 nan 4.420 nan 0.000 0.216 1103 P C 1.323 178.568 177.300 -0.091 0.000 1.150 1103 P CA 1.196 64.080 63.100 -0.359 0.000 0.837 1103 P CB 0.126 31.423 31.700 -0.671 0.000 0.786 1104 R N -0.166 120.418 120.500 0.140 0.000 2.152 1104 R HA -0.065 4.277 4.340 0.002 0.000 0.232 1104 R C 2.067 178.478 176.300 0.185 0.000 1.117 1104 R CA 1.138 57.429 56.100 0.319 0.000 0.981 1104 R CB -1.695 28.808 30.300 0.337 0.000 0.870 1104 R HN 0.244 nan 8.270 nan 0.000 0.451 1105 L N 1.216 122.475 121.223 0.059 0.000 2.012 1105 L HA -0.167 4.174 4.340 0.002 0.000 0.210 1105 L C 2.920 179.808 176.870 0.031 0.000 1.073 1105 L CA 1.520 56.357 54.840 -0.005 0.000 0.748 1105 L CB -0.664 41.319 42.059 -0.126 0.000 0.891 1105 L HN 0.335 nan 8.230 nan 0.000 0.431 1106 A N -0.011 122.839 122.820 0.049 0.000 1.940 1106 A HA -0.208 4.114 4.320 0.002 0.000 0.219 1106 A C 2.456 180.207 177.584 0.278 0.000 1.176 1106 A CA 1.705 53.876 52.037 0.224 0.000 0.631 1106 A CB -0.716 18.444 19.000 0.268 0.000 0.814 1106 A HN 0.434 nan 8.150 nan 0.000 0.446 1107 A N -1.111 121.881 122.820 0.287 0.000 2.131 1107 A HA -0.147 4.174 4.320 0.002 0.000 0.220 1107 A C 1.793 179.478 177.584 0.169 0.000 1.158 1107 A CA 1.472 53.661 52.037 0.253 0.000 0.665 1107 A CB -0.364 18.823 19.000 0.312 0.000 0.795 1107 A HN 0.683 nan 8.150 nan 0.000 0.460 1108 Q N -1.583 118.312 119.800 0.158 0.000 2.188 1108 Q HA 0.325 4.667 4.340 0.002 0.000 0.212 1108 Q C 0.861 176.946 176.000 0.141 0.000 0.846 1108 Q CA 0.152 56.025 55.803 0.118 0.000 0.989 1108 Q CB 0.351 29.140 28.738 0.085 0.000 1.114 1108 Q HN 0.758 nan 8.270 nan 0.000 0.488 1109 G N 1.891 110.824 108.800 0.221 0.000 2.203 1109 G HA2 -0.321 3.641 3.960 0.002 0.000 0.263 1109 G HA3 -0.321 3.641 3.960 0.002 0.000 0.263 1109 G C -0.193 174.954 174.900 0.412 0.000 1.012 1109 G CA 0.556 45.856 45.100 0.333 0.000 0.749 1109 G HN 0.249 nan 8.290 nan 0.000 0.512 1110 K N -0.107 120.388 120.400 0.159 0.000 2.203 1110 K HA 0.374 4.696 4.320 0.002 0.000 0.251 1110 K C 0.007 176.131 176.600 -0.793 0.000 0.944 1110 K CA -1.085 55.088 56.287 -0.190 0.000 0.829 1110 K CB 1.042 33.475 32.500 -0.112 0.000 1.125 1110 K HN 0.065 nan 8.250 nan 0.000 0.430 1111 N N 3.785 121.818 118.700 -1.111 0.000 2.440 1111 N HA -0.016 4.725 4.740 0.002 0.000 0.265 1111 N C -1.572 173.572 175.510 -0.610 0.000 1.239 1111 N CA -1.140 51.187 53.050 -1.205 0.000 0.909 1111 N CB 0.791 38.865 38.487 -0.688 0.000 1.066 1111 N HN 0.395 nan 8.380 nan 0.000 0.474 1112 P HA -0.080 nan 4.420 nan 0.000 0.223 1112 P C 0.308 177.300 177.300 -0.512 0.000 1.151 1112 P CA 0.559 63.313 63.100 -0.577 0.000 0.787 1112 P CB 0.133 31.305 31.700 -0.879 0.000 0.788 1113 F N 1.546 121.228 119.950 -0.445 0.000 2.375 1113 F HA 0.384 4.912 4.527 0.002 0.000 0.333 1113 F C 0.097 175.788 175.800 -0.181 0.000 1.104 1113 F CA -0.239 57.632 58.000 -0.215 0.000 1.149 1113 F CB 0.862 39.800 39.000 -0.104 0.000 1.190 1113 F HN -0.165 nan 8.300 nan 0.000 0.533 1114 Q N 5.348 124.511 119.800 -1.062 0.000 2.353 1114 Q HA 0.442 4.784 4.340 0.002 0.000 0.275 1114 Q C -1.609 173.907 176.000 -0.805 0.000 1.029 1114 Q CA -0.897 54.481 55.803 -0.708 0.000 0.848 1114 Q CB 2.892 31.425 28.738 -0.341 0.000 1.390 1114 Q HN 0.615 nan 8.270 nan 0.000 0.401 1115 L N 1.665 122.616 121.223 -0.454 0.000 2.325 1115 L HA 0.385 4.726 4.340 0.002 0.000 0.279 1115 L C 0.090 176.937 176.870 -0.038 0.000 1.054 1115 L CA -0.129 54.587 54.840 -0.206 0.000 0.804 1115 L CB 1.058 43.042 42.059 -0.125 0.000 1.200 1115 L HN 0.771 nan 8.230 nan 0.000 0.436 1116 D N -0.171 120.274 120.400 0.075 0.000 2.500 1116 D HA 0.078 4.720 4.640 0.002 0.000 0.218 1116 D C 0.235 176.688 176.300 0.255 0.000 1.140 1116 D CA 0.288 54.374 54.000 0.143 0.000 0.830 1116 D CB 1.011 41.905 40.800 0.158 0.000 1.055 1116 D HN 0.543 nan 8.370 nan 0.000 0.512 1117 S N -0.395 115.447 115.700 0.237 0.000 2.715 1117 S HA 0.685 5.156 4.470 0.002 0.000 0.307 1117 S C -0.106 174.661 174.600 0.277 0.000 1.119 1117 S CA -0.763 57.565 58.200 0.215 0.000 0.937 1117 S CB 2.614 65.816 63.200 0.003 0.000 1.150 1117 S HN -0.227 nan 8.310 nan 0.000 0.521 1118 K N 0.182 120.674 120.400 0.153 0.000 2.267 1118 K HA 0.788 5.109 4.320 0.002 0.000 0.236 1118 K C 0.045 176.484 176.600 -0.268 0.000 1.030 1118 K CA -0.667 55.691 56.287 0.118 0.000 0.930 1118 K CB 0.600 33.135 32.500 0.057 0.000 1.182 1118 K HN 0.823 nan 8.250 nan 0.000 0.474 1119 A N 1.384 123.979 122.820 -0.375 0.000 2.406 1119 A HA 0.259 4.580 4.320 0.002 0.000 0.243 1119 A C -2.160 175.060 177.584 -0.607 0.000 1.082 1119 A CA -0.930 50.573 52.037 -0.891 0.000 0.786 1119 A CB -0.726 18.100 19.000 -0.290 0.000 1.029 1119 A HN 0.416 nan 8.150 nan 0.000 0.495 1120 P HA 0.010 nan 4.420 nan 0.000 0.266 1120 P C -0.406 176.770 177.300 -0.207 0.000 1.186 1120 P CA 0.777 63.675 63.100 -0.337 0.000 0.767 1120 P CB 0.393 31.940 31.700 -0.255 0.000 0.820 1121 D N 0.622 120.930 120.400 -0.154 0.000 2.395 1121 D HA 0.177 4.818 4.640 0.002 0.000 0.213 1121 D C 1.265 177.525 176.300 -0.066 0.000 1.110 1121 D CA 0.146 54.089 54.000 -0.095 0.000 0.835 1121 D CB -0.401 40.354 40.800 -0.075 0.000 0.965 1121 D HN 0.524 nan 8.370 nan 0.000 0.505 1122 G N 0.541 109.298 108.800 -0.070 0.000 2.179 1122 G HA2 -0.357 3.605 3.960 0.002 0.000 0.260 1122 G HA3 -0.357 3.605 3.960 0.002 0.000 0.260 1122 G C 1.107 175.989 174.900 -0.029 0.000 0.977 1122 G CA 0.607 45.682 45.100 -0.043 0.000 0.641 1122 G HN 0.732 nan 8.290 nan 0.000 0.533 1123 S N -0.128 115.551 115.700 -0.036 0.000 2.650 1123 S HA 0.290 4.761 4.470 0.002 0.000 0.219 1123 S C 2.146 176.756 174.600 0.017 0.000 0.960 1123 S CA 1.011 59.206 58.200 -0.008 0.000 0.925 1123 S CB 0.283 63.478 63.200 -0.009 0.000 0.775 1123 S HN 0.817 nan 8.310 nan 0.000 0.525 1124 V N 1.534 121.443 119.914 -0.009 0.000 2.282 1124 V HA -0.247 3.875 4.120 0.002 0.000 0.249 1124 V C 2.847 178.961 176.094 0.034 0.000 1.057 1124 V CA 2.352 64.662 62.300 0.017 0.000 1.032 1124 V CB -1.101 30.719 31.823 -0.004 0.000 0.645 1124 V HN 0.565 nan 8.190 nan 0.000 0.447 1125 E N 1.019 121.218 120.200 -0.001 0.000 2.038 1125 E HA -0.248 4.103 4.350 0.002 0.000 0.195 1125 E C 2.282 178.870 176.600 -0.021 0.000 1.000 1125 E CA 1.914 58.298 56.400 -0.026 0.000 0.803 1125 E CB -0.393 29.298 29.700 -0.014 0.000 0.750 1125 E HN 0.790 nan 8.360 nan 0.000 0.448 1126 E N 0.129 120.336 120.200 0.012 0.000 2.110 1126 E HA -0.218 4.134 4.350 0.002 0.000 0.193 1126 E C 2.234 178.848 176.600 0.023 0.000 0.988 1126 E CA 1.102 57.512 56.400 0.016 0.000 0.804 1126 E CB -0.896 28.823 29.700 0.030 0.000 0.745 1126 E HN 0.431 nan 8.360 nan 0.000 0.458 1127 F N 2.405 122.295 119.950 -0.099 0.000 2.102 1127 F HA -0.120 4.408 4.527 0.001 0.000 0.298 1127 F C 2.186 177.895 175.800 -0.151 0.000 1.105 1127 F CA 1.382 59.307 58.000 -0.125 0.000 1.239 1127 F CB -0.289 38.604 39.000 -0.178 0.000 0.991 1127 F HN -0.115 nan 8.300 nan 0.000 0.474 1128 L N -0.535 120.456 121.223 -0.388 0.000 2.027 1128 L HA -0.220 4.121 4.340 0.002 0.000 0.206 1128 L C 2.550 179.287 176.870 -0.222 0.000 1.074 1128 L CA 1.027 55.513 54.840 -0.590 0.000 0.745 1128 L CB -0.760 40.845 42.059 -0.757 0.000 0.898 1128 L HN 0.176 nan 8.230 nan 0.000 0.433 1129 M N -0.206 119.314 119.600 -0.133 0.000 2.358 1129 M HA -0.107 4.374 4.480 0.002 0.000 0.264 1129 M C 2.299 178.578 176.300 -0.036 0.000 1.064 1129 M CA 1.355 56.632 55.300 -0.037 0.000 1.093 1129 M CB -1.121 31.464 32.600 -0.025 0.000 1.401 1129 M HN 0.288 nan 8.290 nan 0.000 0.440 1130 A N -0.317 122.453 122.820 -0.083 0.000 2.206 1130 A HA -0.029 4.293 4.320 0.002 0.000 0.211 1130 A C 0.841 178.377 177.584 -0.079 0.000 1.158 1130 A CA 0.439 52.434 52.037 -0.070 0.000 0.761 1130 A CB -0.199 18.760 19.000 -0.069 0.000 0.801 1130 A HN 0.535 nan 8.150 nan 0.000 0.473 1131 Q N -0.512 119.236 119.800 -0.086 0.000 2.322 1131 Q HA 0.252 4.594 4.340 0.002 0.000 0.265 1131 Q C 0.400 176.391 176.000 -0.014 0.000 0.985 1131 Q CA -0.499 55.267 55.803 -0.061 0.000 0.849 1131 Q CB 1.299 29.988 28.738 -0.083 0.000 1.274 1131 Q HN 0.520 nan 8.270 nan 0.000 0.449 1132 N N 2.367 121.036 118.700 -0.051 0.000 2.205 1132 N HA -0.201 4.541 4.740 0.002 0.000 0.186 1132 N C 1.365 176.811 175.510 -0.107 0.000 1.015 1132 N CA 0.969 53.986 53.050 -0.055 0.000 0.862 1132 N CB 0.288 38.741 38.487 -0.058 0.000 0.986 1132 N HN 0.525 nan 8.380 nan 0.000 0.429 1133 R N -0.817 119.553 120.500 -0.216 0.000 2.249 1133 R HA -0.124 4.217 4.340 0.002 0.000 0.230 1133 R C 0.980 176.978 176.300 -0.504 0.000 1.121 1133 R CA 1.340 57.202 56.100 -0.396 0.000 0.997 1133 R CB -0.463 29.506 30.300 -0.551 0.000 0.867 1133 R HN 0.296 nan 8.270 nan 0.000 0.465 1134 F N 0.227 120.129 119.950 -0.079 0.000 2.557 1134 F HA 0.378 4.907 4.527 0.003 0.000 0.278 1134 F C 2.673 178.445 175.800 -0.046 0.000 1.051 1134 F CA 0.166 58.127 58.000 -0.064 0.000 1.357 1134 F CB -0.197 38.752 39.000 -0.085 0.000 1.104 1134 F HN 0.024 nan 8.300 nan 0.000 0.654 1135 A N 0.700 123.599 122.820 0.133 0.000 1.978 1135 A HA -0.181 4.141 4.320 0.002 0.000 0.220 1135 A C 2.224 179.839 177.584 0.051 0.000 1.170 1135 A CA 2.217 54.297 52.037 0.072 0.000 0.636 1135 A CB -1.363 17.660 19.000 0.038 0.000 0.810 1135 A HN 0.308 nan 8.150 nan 0.000 0.448 1136 V N -2.477 117.451 119.914 0.023 0.000 2.515 1136 V HA -0.131 3.990 4.120 0.002 0.000 0.250 1136 V C 2.119 178.246 176.094 0.055 0.000 1.058 1136 V CA 1.641 63.954 62.300 0.023 0.000 1.064 1136 V CB -0.874 30.940 31.823 -0.015 0.000 0.675 1136 V HN 0.441 nan 8.190 nan 0.000 0.461 1137 L N 0.800 122.050 121.223 0.044 0.000 2.093 1137 L HA -0.107 4.234 4.340 0.002 0.000 0.208 1137 L C 2.281 179.238 176.870 0.144 0.000 1.085 1137 L CA 2.752 57.627 54.840 0.058 0.000 0.755 1137 L CB -0.808 41.260 42.059 0.016 0.000 0.904 1137 L HN 0.478 nan 8.230 nan 0.000 0.435 1138 D N -0.382 120.088 120.400 0.116 0.000 2.144 1138 D HA -0.162 4.480 4.640 0.002 0.000 0.200 1138 D C 2.274 178.635 176.300 0.103 0.000 0.978 1138 D CA 0.987 55.052 54.000 0.108 0.000 0.833 1138 D CB 0.207 41.054 40.800 0.079 0.000 0.961 1138 D HN 0.179 nan 8.370 nan 0.000 0.470 1139 R N -0.577 119.979 120.500 0.094 0.000 2.148 1139 R HA 0.074 4.415 4.340 0.002 0.000 0.223 1139 R C 1.870 178.225 176.300 0.091 0.000 1.088 1139 R CA 1.041 57.186 56.100 0.075 0.000 0.985 1139 R CB 0.126 30.460 30.300 0.057 0.000 0.880 1139 R HN 0.095 nan 8.270 nan 0.000 0.451 1140 S N -0.576 115.228 115.700 0.173 0.000 2.499 1140 S HA 0.154 4.625 4.470 0.002 0.000 0.225 1140 S C 0.010 174.713 174.600 0.171 0.000 1.050 1140 S CA 0.244 58.570 58.200 0.210 0.000 0.928 1140 S CB 0.462 63.891 63.200 0.382 0.000 0.803 1140 S HN 0.077 nan 8.310 nan 0.000 0.506 1141 F N 1.120 121.081 119.950 0.019 0.000 2.577 1141 F HA 0.423 4.951 4.527 0.002 0.000 0.342 1141 F C -2.314 173.500 175.800 0.024 0.000 1.479 1141 F CA -2.648 55.365 58.000 0.022 0.000 1.110 1141 F CB 0.681 39.697 39.000 0.026 0.000 1.306 1141 F HN -0.049 nan 8.300 nan 0.000 0.554 1142 P HA -0.247 nan 4.420 nan 0.000 0.219 1142 P C 1.705 179.059 177.300 0.091 0.000 1.161 1142 P CA 1.914 65.068 63.100 0.091 0.000 0.909 1142 P CB 0.389 32.117 31.700 0.046 0.000 0.793 1143 E N -0.609 119.641 120.200 0.083 0.000 2.023 1143 E HA -0.198 4.154 4.350 0.002 0.000 0.196 1143 E C 1.775 178.434 176.600 0.099 0.000 1.003 1143 E CA 1.502 57.946 56.400 0.075 0.000 0.809 1143 E CB -0.856 28.879 29.700 0.058 0.000 0.755 1143 E HN 0.280 nan 8.360 nan 0.000 0.449 1144 D N 0.587 121.078 120.400 0.152 0.000 2.104 1144 D HA -0.130 4.511 4.640 0.002 0.000 0.194 1144 D C 1.865 178.231 176.300 0.111 0.000 0.994 1144 D CA 1.438 55.524 54.000 0.143 0.000 0.830 1144 D CB -0.471 40.452 40.800 0.205 0.000 0.959 1144 D HN 0.162 nan 8.370 nan 0.000 0.452 1145 A N 1.951 124.850 122.820 0.131 0.000 1.859 1145 A HA -0.334 3.988 4.320 0.002 0.000 0.218 1145 A C 2.038 179.669 177.584 0.078 0.000 1.209 1145 A CA 3.163 55.264 52.037 0.106 0.000 0.639 1145 A CB -0.887 18.183 19.000 0.117 0.000 0.835 1145 A HN 0.440 nan 8.150 nan 0.000 0.450 1146 K N -0.621 119.819 120.400 0.067 0.000 2.074 1146 K HA -0.243 4.079 4.320 0.002 0.000 0.209 1146 K C 2.222 178.847 176.600 0.042 0.000 1.048 1146 K CA 1.767 58.082 56.287 0.046 0.000 0.926 1146 K CB -0.380 32.144 32.500 0.040 0.000 0.713 1146 K HN 0.443 nan 8.250 nan 0.000 0.444 1147 R N 0.959 121.488 120.500 0.048 0.000 2.066 1147 R HA 0.010 4.351 4.340 0.002 0.000 0.232 1147 R C 2.495 178.822 176.300 0.044 0.000 1.131 1147 R CA 1.226 57.350 56.100 0.040 0.000 0.955 1147 R CB -0.214 30.111 30.300 0.041 0.000 0.851 1147 R HN 0.259 nan 8.270 nan 0.000 0.432 1148 L N 0.140 121.398 121.223 0.058 0.000 2.141 1148 L HA -0.121 4.221 4.340 0.002 0.000 0.209 1148 L C 2.679 179.589 176.870 0.067 0.000 1.094 1148 L CA 1.118 56.000 54.840 0.070 0.000 0.763 1148 L CB -0.297 41.813 42.059 0.085 0.000 0.908 1148 L HN 0.202 nan 8.230 nan 0.000 0.437 1149 R N -0.105 120.422 120.500 0.046 0.000 2.062 1149 R HA -0.033 4.309 4.340 0.002 0.000 0.229 1149 R C 2.383 178.692 176.300 0.014 0.000 1.128 1149 R CA 1.240 57.340 56.100 -0.001 0.000 0.960 1149 R CB -0.403 29.884 30.300 -0.023 0.000 0.855 1149 R HN 0.293 nan 8.270 nan 0.000 0.432 1150 A N 1.062 123.898 122.820 0.028 0.000 2.019 1150 A HA -0.205 4.117 4.320 0.002 0.000 0.219 1150 A C 2.066 179.687 177.584 0.062 0.000 1.164 1150 A CA 1.167 53.227 52.037 0.038 0.000 0.644 1150 A CB -0.355 18.663 19.000 0.030 0.000 0.805 1150 A HN 0.362 nan 8.150 nan 0.000 0.449 1151 Q N -0.261 119.574 119.800 0.059 0.000 2.096 1151 Q HA -0.085 4.256 4.340 0.002 0.000 0.197 1151 Q C 1.902 177.974 176.000 0.120 0.000 0.964 1151 Q CA 1.633 57.481 55.803 0.075 0.000 0.838 1151 Q CB -0.136 28.634 28.738 0.054 0.000 0.906 1151 Q HN 0.388 nan 8.270 nan 0.000 0.444 1152 V N 1.421 121.397 119.914 0.103 0.000 2.332 1152 V HA -0.292 3.830 4.120 0.002 0.000 0.248 1152 V C 2.458 178.624 176.094 0.120 0.000 1.055 1152 V CA 1.844 64.219 62.300 0.125 0.000 1.038 1152 V CB -1.165 30.729 31.823 0.119 0.000 0.651 1152 V HN 0.516 nan 8.190 nan 0.000 0.450 1153 A N -0.761 122.114 122.820 0.091 0.000 1.940 1153 A HA -0.319 4.003 4.320 0.002 0.000 0.219 1153 A C 2.272 179.904 177.584 0.081 0.000 1.176 1153 A CA 2.141 54.222 52.037 0.072 0.000 0.631 1153 A CB -0.887 18.142 19.000 0.049 0.000 0.814 1153 A HN 0.723 nan 8.150 nan 0.000 0.446 1154 H N -0.056 119.030 119.070 0.026 0.000 2.423 1154 H HA -0.049 4.508 4.556 0.002 0.000 0.297 1154 H C 1.812 177.157 175.328 0.028 0.000 1.075 1154 H CA 1.665 57.727 56.048 0.023 0.000 1.342 1154 H CB 0.050 29.824 29.762 0.020 0.000 1.395 1154 H HN 0.681 nan 8.280 nan 0.000 0.530 1155 E N 0.564 120.834 120.200 0.117 0.000 2.047 1155 E HA -0.148 4.204 4.350 0.002 0.000 0.191 1155 E C 2.476 179.076 176.600 0.000 0.000 0.987 1155 E CA 1.321 57.761 56.400 0.067 0.000 0.799 1155 E CB -0.076 29.683 29.700 0.100 0.000 0.752 1155 E HN 0.424 nan 8.360 nan 0.000 0.449 1156 L N 0.248 121.483 121.223 0.019 0.000 2.201 1156 L HA -0.044 4.297 4.340 0.002 0.000 0.212 1156 L C 1.816 178.689 176.870 0.004 0.000 1.105 1156 L CA 1.910 56.758 54.840 0.014 0.000 0.775 1156 L CB -0.644 41.435 42.059 0.034 0.000 0.913 1156 L HN -0.084 nan 8.230 nan 0.000 0.440 1157 D N 0.129 120.499 120.400 -0.049 0.000 2.123 1157 D HA -0.129 4.513 4.640 0.002 0.000 0.200 1157 D C 1.988 178.256 176.300 -0.053 0.000 0.976 1157 D CA 1.246 55.207 54.000 -0.064 0.000 0.831 1157 D CB 0.096 40.823 40.800 -0.121 0.000 0.974 1157 D HN 0.129 nan 8.370 nan 0.000 0.469 1158 V N 0.355 120.178 119.914 -0.153 0.000 2.307 1158 V HA -0.141 3.980 4.120 0.002 0.000 0.245 1158 V C 2.579 178.648 176.094 -0.041 0.000 1.045 1158 V CA 1.783 64.006 62.300 -0.128 0.000 1.024 1158 V CB -0.571 31.140 31.823 -0.185 0.000 0.651 1158 V HN 0.192 nan 8.190 nan 0.000 0.449 1159 R N -0.908 119.579 120.500 -0.022 0.000 2.120 1159 R HA -0.195 4.146 4.340 0.002 0.000 0.234 1159 R C 2.150 178.455 176.300 0.008 0.000 1.123 1159 R CA 1.734 57.821 56.100 -0.022 0.000 0.975 1159 R CB -0.330 29.959 30.300 -0.017 0.000 0.866 1159 R HN 0.462 nan 8.270 nan 0.000 0.446 1160 F N 1.275 121.184 119.950 -0.068 0.000 2.074 1160 F HA -0.068 4.462 4.527 0.004 0.000 0.293 1160 F C 1.872 177.653 175.800 -0.031 0.000 1.116 1160 F CA 1.617 59.594 58.000 -0.039 0.000 1.212 1160 F CB -0.060 38.921 39.000 -0.032 0.000 0.998 1160 F HN -0.122 nan 8.300 nan 0.000 0.471 1161 K N -0.075 120.391 120.400 0.110 0.000 2.160 1161 K HA -0.265 4.056 4.320 0.002 0.000 0.206 1161 K C 2.039 178.608 176.600 -0.051 0.000 1.047 1161 K CA 1.849 58.152 56.287 0.027 0.000 0.930 1161 K CB -0.330 32.191 32.500 0.036 0.000 0.720 1161 K HN 0.403 nan 8.250 nan 0.000 0.450 1162 E N 1.055 121.212 120.200 -0.072 0.000 2.028 1162 E HA -0.137 4.215 4.350 0.002 0.000 0.191 1162 E C 1.922 178.408 176.600 -0.190 0.000 0.988 1162 E CA 0.839 57.177 56.400 -0.103 0.000 0.799 1162 E CB 0.046 29.677 29.700 -0.114 0.000 0.755 1162 E HN 0.199 nan 8.360 nan 0.000 0.447 1163 L N 0.729 121.786 121.223 -0.276 0.000 2.201 1163 L HA -0.152 4.190 4.340 0.002 0.000 0.212 1163 L C 2.288 179.004 176.870 -0.256 0.000 1.105 1163 L CA 0.959 55.568 54.840 -0.385 0.000 0.775 1163 L CB -0.306 41.530 42.059 -0.372 0.000 0.913 1163 L HN 0.211 nan 8.230 nan 0.000 0.440 1164 E N -0.800 119.230 120.200 -0.283 0.000 2.106 1164 E HA -0.255 4.096 4.350 0.002 0.000 0.192 1164 E C 1.996 178.568 176.600 -0.047 0.000 0.984 1164 E CA 1.098 57.389 56.400 -0.182 0.000 0.806 1164 E CB -0.099 29.508 29.700 -0.155 0.000 0.750 1164 E HN 0.495 nan 8.360 nan 0.000 0.458 1165 H N 0.997 119.997 119.070 -0.118 0.000 2.353 1165 H HA -0.039 4.518 4.556 0.002 0.000 0.300 1165 H C 1.985 177.268 175.328 -0.074 0.000 1.090 1165 H CA 1.638 57.637 56.048 -0.082 0.000 1.327 1165 H CB -0.141 29.566 29.762 -0.091 0.000 1.383 1165 H HN 0.029 nan 8.280 nan 0.000 0.508 1166 M N -0.243 119.111 119.600 -0.410 0.000 2.106 1166 M HA -0.187 4.295 4.480 0.002 0.000 0.259 1166 M C 2.468 178.706 176.300 -0.103 0.000 1.068 1166 M CA 1.757 56.780 55.300 -0.462 0.000 1.100 1166 M CB -0.358 31.725 32.600 -0.863 0.000 1.351 1166 M HN 0.502 nan 8.290 nan 0.000 0.404 1167 A N -0.525 122.363 122.820 0.114 0.000 2.119 1167 A HA 0.157 4.479 4.320 0.002 0.000 0.217 1167 A C 1.970 179.544 177.584 -0.018 0.000 1.153 1167 A CA 1.601 53.705 52.037 0.112 0.000 0.692 1167 A CB -0.466 18.560 19.000 0.043 0.000 0.799 1167 A HN 0.530 nan 8.150 nan 0.000 0.458 1168 A N -1.776 121.017 122.820 -0.046 0.000 2.469 1168 A HA 0.376 4.697 4.320 0.002 0.000 0.245 1168 A C 1.083 178.672 177.584 0.008 0.000 1.221 1168 A CA 0.689 52.724 52.037 -0.002 0.000 0.946 1168 A CB -0.399 18.632 19.000 0.052 0.000 1.049 1168 A HN 0.305 nan 8.150 nan 0.000 0.529 1169 T N 0.839 115.316 114.554 -0.128 0.000 2.903 1169 T HA 0.130 4.481 4.350 0.002 0.000 0.314 1169 T C 1.142 175.922 174.700 0.134 0.000 1.078 1169 T CA 0.728 62.795 62.100 -0.054 0.000 1.114 1169 T CB 0.246 68.944 68.868 -0.284 0.000 0.987 1169 T HN 0.596 nan 8.240 nan 0.000 0.548 1170 N N 2.613 121.420 118.700 0.178 0.000 2.299 1170 N HA 0.164 4.905 4.740 0.002 0.000 0.187 1170 N C -0.414 175.191 175.510 0.158 0.000 1.099 1170 N CA 0.077 53.260 53.050 0.221 0.000 0.867 1170 N CB -0.058 38.501 38.487 0.120 0.000 0.974 1170 N HN 0.408 nan 8.380 nan 0.000 0.477 1171 I N 1.088 121.740 120.570 0.137 0.000 2.378 1171 I HA 0.435 4.606 4.170 0.002 0.000 0.291 1171 I C -1.221 174.978 176.117 0.137 0.000 0.992 1171 I CA -0.966 60.310 61.300 -0.040 0.000 1.154 1171 I CB 0.910 38.902 38.000 -0.013 0.000 1.315 1171 I HN 0.028 nan 8.210 nan 0.000 0.448 1172 F N 1.764 121.720 119.950 0.010 0.000 2.608 1172 F HA 0.580 5.109 4.527 0.003 0.000 0.309 1172 F C -0.362 175.472 175.800 0.057 0.000 1.103 1172 F CA -1.324 56.691 58.000 0.026 0.000 0.954 1172 F CB 0.722 39.728 39.000 0.011 0.000 1.267 1172 F HN 0.336 nan 8.300 nan 0.000 0.444 1173 E N 1.639 121.986 120.200 0.244 0.000 2.417 1173 E HA 0.183 4.535 4.350 0.002 0.000 0.261 1173 E C 0.173 176.927 176.600 0.257 0.000 1.000 1173 E CA -0.075 56.444 56.400 0.198 0.000 0.919 1173 E CB 0.955 30.780 29.700 0.210 0.000 0.955 1173 E HN 0.662 nan 8.360 nan 0.000 0.455 1174 S N 2.680 118.498 115.700 0.198 0.000 2.617 1174 S HA 0.309 4.781 4.470 0.002 0.000 0.255 1174 S C -0.675 174.148 174.600 0.371 0.000 1.318 1174 S CA -0.332 58.009 58.200 0.235 0.000 0.978 1174 S CB 0.346 63.626 63.200 0.134 0.000 0.961 1174 S HN 0.416 nan 8.310 nan 0.000 0.582 1175 F N -0.328 119.714 119.950 0.154 0.000 2.631 1175 F HA 0.690 5.219 4.527 0.003 0.000 0.308 1175 F C -1.213 174.654 175.800 0.111 0.000 1.097 1175 F CA -0.354 57.752 58.000 0.176 0.000 0.952 1175 F CB 1.379 40.513 39.000 0.224 0.000 1.307 1175 F HN 0.721 nan 8.300 nan 0.000 0.450 1176 A N 5.260 127.502 122.820 -0.962 0.000 2.480 1176 A HA 0.614 4.936 4.320 0.002 0.000 0.289 1176 A C -2.561 174.423 177.584 -1.000 0.000 1.044 1176 A CA -1.087 50.470 52.037 -0.800 0.000 0.761 1176 A CB 0.777 19.579 19.000 -0.331 0.000 1.289 1176 A HN 0.549 nan 8.150 nan 0.000 0.401 1177 P HA 0.099 nan 4.420 nan 0.000 0.206 1177 P C 0.499 177.618 177.300 -0.302 0.000 1.142 1177 P CA 2.442 65.261 63.100 -0.469 0.000 0.946 1177 P CB 0.252 31.783 31.700 -0.281 0.000 0.777 1178 A N -2.930 119.752 122.820 -0.231 0.000 2.585 1178 A HA 0.608 4.930 4.320 0.002 0.000 0.299 1178 A C -0.562 176.942 177.584 -0.133 0.000 1.047 1178 A CA -0.024 51.908 52.037 -0.175 0.000 0.723 1178 A CB 0.792 19.702 19.000 -0.151 0.000 1.275 1178 A HN 0.475 nan 8.150 nan 0.000 0.408 1179 G N -0.841 107.892 108.800 -0.112 0.000 2.428 1179 G HA2 0.846 4.807 3.960 0.002 0.000 0.304 1179 G HA3 0.846 4.807 3.960 0.002 0.000 0.304 1179 G C 0.615 175.474 174.900 -0.067 0.000 1.303 1179 G CA 1.232 46.282 45.100 -0.083 0.000 0.825 1179 G HN 2.741 nan 8.290 nan 0.000 0.484 1180 G N 0.740 109.509 108.800 -0.051 0.000 2.552 1180 G HA2 -0.059 3.903 3.960 0.002 0.000 0.267 1180 G HA3 -0.059 3.903 3.960 0.002 0.000 0.267 1180 G C 1.446 176.327 174.900 -0.032 0.000 1.174 1180 G CA 2.012 47.088 45.100 -0.040 0.000 0.955 1180 G HN 2.265 nan 8.290 nan 0.000 0.546 1181 K N -0.641 119.741 120.400 -0.031 0.000 4.308 1181 K HA -0.099 4.222 4.320 0.002 0.000 0.233 1181 K C 1.586 178.177 176.600 -0.014 0.000 0.710 1181 K CA 3.404 59.677 56.287 -0.023 0.000 0.749 1181 K CB -1.802 30.681 32.500 -0.027 0.000 0.766 1181 K HN 2.910 nan 8.250 nan 0.000 0.824 1182 A N 1.555 124.369 122.820 -0.011 0.000 6.365 1182 A HA -0.185 4.136 4.320 0.002 0.000 0.240 1182 A C -0.497 177.086 177.584 -0.001 0.000 2.238 1182 A CA 1.230 53.264 52.037 -0.005 0.000 0.699 1182 A CB -1.794 17.201 19.000 -0.009 0.000 0.959 1182 A HN 0.785 nan 8.150 nan 0.000 0.362 1183 D N 0.153 120.552 120.400 -0.001 0.000 2.358 1183 D HA 0.542 5.183 4.640 0.002 0.000 0.244 1183 D C 0.622 176.920 176.300 -0.003 0.000 1.163 1183 D CA 1.606 55.605 54.000 -0.001 0.000 0.945 1183 D CB 0.559 41.358 40.800 -0.001 0.000 1.152 1183 D HN 2.212 nan 8.370 nan 0.000 0.451 1184 G N 0.129 108.927 108.800 -0.004 0.000 3.295 1184 G HA2 0.143 4.104 3.960 0.002 0.000 0.686 1184 G HA3 0.143 4.104 3.960 0.002 0.000 0.686 1184 G C -0.081 174.817 174.900 -0.004 0.000 0.958 1184 G CA -0.183 44.913 45.100 -0.005 0.000 0.787 1184 G HN 0.653 nan 8.290 nan 0.000 0.523 1185 S N -0.140 115.557 115.700 -0.006 0.000 2.798 1185 S HA 0.915 5.386 4.470 0.002 0.000 0.312 1185 S C -0.115 174.481 174.600 -0.007 0.000 1.122 1185 S CA -0.336 57.862 58.200 -0.003 0.000 0.949 1185 S CB 2.588 65.787 63.200 -0.003 0.000 1.235 1185 S HN 2.375 nan 8.310 nan 0.000 0.552 1186 V N 0.246 120.157 119.914 -0.005 0.000 3.023 1186 V HA 0.415 4.537 4.120 0.002 0.000 0.294 1186 V C -1.916 174.167 176.094 -0.019 0.000 1.324 1186 V CA -0.689 61.604 62.300 -0.013 0.000 0.979 1186 V CB 1.934 33.757 31.823 -0.001 0.000 1.093 1186 V HN 1.112 nan 8.190 nan 0.000 0.434 1187 D N 4.051 124.411 120.400 -0.067 0.000 2.264 1187 D HA 0.219 4.860 4.640 0.002 0.000 0.249 1187 D C 0.866 177.093 176.300 -0.122 0.000 1.070 1187 D CA -0.177 53.726 54.000 -0.161 0.000 0.912 1187 D CB 1.600 42.237 40.800 -0.271 0.000 1.193 1187 D HN 0.583 nan 8.370 nan 0.000 0.427 1188 F N 0.985 120.935 119.950 0.001 0.000 2.699 1188 F HA 0.274 4.803 4.527 0.003 0.000 0.298 1188 F C 1.547 177.352 175.800 0.008 0.000 1.154 1188 F CA 0.116 58.118 58.000 0.003 0.000 1.457 1188 F CB -0.329 38.672 39.000 0.002 0.000 1.106 1188 F HN 0.290 nan 8.300 nan 0.000 0.585 1189 G N -0.190 108.458 108.800 -0.253 0.000 2.921 1189 G HA2 0.060 4.021 3.960 0.002 0.000 0.213 1189 G HA3 0.060 4.021 3.960 0.002 0.000 0.213 1189 G C 0.204 175.076 174.900 -0.047 0.000 1.143 1189 G CA -0.375 44.672 45.100 -0.089 0.000 0.764 1189 G HN 0.361 nan 8.290 nan 0.000 0.542 1190 E N 0.391 120.549 120.200 -0.069 0.000 2.366 1190 E HA 0.377 4.729 4.350 0.002 0.000 0.266 1190 E C 1.269 177.869 176.600 -0.001 0.000 1.015 1190 E CA 0.534 56.911 56.400 -0.038 0.000 0.906 1190 E CB 0.659 30.332 29.700 -0.045 0.000 0.979 1190 E HN 0.249 nan 8.360 nan 0.000 0.443 1191 G N 2.680 111.482 108.800 0.003 0.000 2.253 1191 G HA2 -0.361 3.601 3.960 0.002 0.000 0.251 1191 G HA3 -0.361 3.601 3.960 0.002 0.000 0.251 1191 G C 0.500 175.423 174.900 0.039 0.000 0.998 1191 G CA -0.076 45.035 45.100 0.017 0.000 0.621 1191 G HN 0.825 nan 8.290 nan 0.000 0.524 1192 A N 0.226 123.079 122.820 0.054 0.000 2.567 1192 A HA 0.521 4.843 4.320 0.002 0.000 0.240 1192 A C 1.208 178.852 177.584 0.100 0.000 1.053 1192 A CA 1.558 53.653 52.037 0.095 0.000 0.755 1192 A CB 0.195 19.265 19.000 0.116 0.000 0.978 1192 A HN 0.456 nan 8.150 nan 0.000 0.507 1193 E N 1.342 121.640 120.200 0.163 0.000 2.072 1193 E HA 0.053 4.405 4.350 0.002 0.000 0.190 1193 E C -0.257 176.384 176.600 0.068 0.000 0.982 1193 E CA 1.209 57.695 56.400 0.143 0.000 0.803 1193 E CB -0.107 29.761 29.700 0.279 0.000 0.755 1193 E HN 0.683 nan 8.360 nan 0.000 0.453 1194 F N -0.660 119.300 119.950 0.017 0.000 2.509 1194 F HA 0.307 4.835 4.527 0.003 0.000 0.334 1194 F C 0.439 176.254 175.800 0.025 0.000 1.060 1194 F CA -1.912 56.098 58.000 0.017 0.000 0.997 1194 F CB 0.502 39.512 39.000 0.016 0.000 1.271 1194 F HN -0.197 nan 8.300 nan 0.000 0.488 1195 c N 1.094 119.814 118.600 0.200 0.000 2.641 1195 c HA 0.180 4.752 4.570 0.002 0.000 0.412 1195 c C 1.420 175.601 174.090 0.151 0.000 1.312 1195 c CA 0.209 56.615 56.329 0.129 0.000 1.838 1195 c CB -0.359 42.210 42.510 0.099 0.000 2.682 1195 c HN 0.887 nan 8.230 nan 0.000 0.627 1196 T N 1.279 115.917 114.554 0.141 0.000 3.003 1196 T HA 0.152 4.503 4.350 0.002 0.000 0.261 1196 T C 0.472 175.300 174.700 0.214 0.000 1.003 1196 T CA 0.193 62.413 62.100 0.201 0.000 0.917 1196 T CB 0.115 69.151 68.868 0.280 0.000 1.084 1196 T HN 0.649 nan 8.240 nan 0.000 0.522 1197 R N 2.196 122.780 120.500 0.141 0.000 2.686 1197 R HA 0.450 4.791 4.340 0.002 0.000 0.283 1197 R C -1.208 175.137 176.300 0.074 0.000 0.978 1197 R CA -0.832 55.339 56.100 0.118 0.000 0.897 1197 R CB 1.588 31.949 30.300 0.102 0.000 1.192 1197 R HN 0.223 nan 8.270 nan 0.000 0.457 1198 D N 0.060 120.495 120.400 0.059 0.000 2.447 1198 D HA 0.014 4.656 4.640 0.002 0.000 0.265 1198 D C 0.136 176.455 176.300 0.032 0.000 1.250 1198 D CA -0.320 53.705 54.000 0.042 0.000 1.046 1198 D CB 0.568 41.387 40.800 0.032 0.000 1.095 1198 D HN 0.337 nan 8.370 nan 0.000 0.555 1199 D N -1.189 119.226 120.400 0.025 0.000 2.355 1199 D HA -0.009 4.632 4.640 0.002 0.000 0.218 1199 D C 0.202 176.511 176.300 0.015 0.000 1.004 1199 D CA 0.440 54.451 54.000 0.018 0.000 0.880 1199 D CB -0.345 40.465 40.800 0.016 0.000 0.911 1199 D HN 0.339 nan 8.370 nan 0.000 0.528 1200 T N 2.046 116.609 114.554 0.016 0.000 2.937 1200 T HA 0.026 4.378 4.350 0.002 0.000 0.316 1200 T C -1.501 173.204 174.700 0.008 0.000 1.079 1200 T CA -0.720 61.386 62.100 0.011 0.000 1.131 1200 T CB 1.254 70.128 68.868 0.011 0.000 1.000 1200 T HN -0.052 nan 8.240 nan 0.000 0.549 1201 P HA 0.095 nan 4.420 nan 0.000 0.229 1201 P C 1.371 178.669 177.300 -0.003 0.000 1.160 1201 P CA 0.746 63.845 63.100 -0.002 0.000 0.777 1201 P CB 0.088 31.783 31.700 -0.008 0.000 0.814 1202 M N -1.972 117.628 119.600 -0.001 0.000 2.123 1202 M HA -0.043 4.439 4.480 0.002 0.000 0.263 1202 M C 1.924 178.232 176.300 0.013 0.000 1.069 1202 M CA 1.767 57.068 55.300 0.000 0.000 1.133 1202 M CB -0.540 32.059 32.600 -0.002 0.000 1.356 1202 M HN -0.093 nan 8.290 nan 0.000 0.415 1203 M N 0.123 119.737 119.600 0.022 0.000 2.618 1203 M HA 0.126 4.608 4.480 0.002 0.000 0.240 1203 M C 0.506 176.824 176.300 0.030 0.000 1.123 1203 M CA -0.259 55.066 55.300 0.041 0.000 1.060 1203 M CB -0.234 32.400 32.600 0.057 0.000 1.535 1203 M HN 0.131 nan 8.290 nan 0.000 0.507 1204 A N 2.051 124.880 122.820 0.015 0.000 2.522 1204 A HA 0.252 4.573 4.320 0.002 0.000 0.256 1204 A C 0.200 177.785 177.584 0.002 0.000 1.086 1204 A CA 0.356 52.397 52.037 0.006 0.000 0.763 1204 A CB 0.158 19.158 19.000 0.001 0.000 1.024 1204 A HN 0.311 nan 8.150 nan 0.000 0.502 1205 R N 2.097 122.594 120.500 -0.005 0.000 2.888 1205 R HA 0.413 4.754 4.340 0.002 0.000 0.264 1205 R C -2.175 174.115 176.300 -0.017 0.000 1.045 1205 R CA -2.002 54.091 56.100 -0.012 0.000 0.962 1205 R CB 0.309 30.597 30.300 -0.020 0.000 1.210 1205 R HN 0.352 nan 8.270 nan 0.000 0.479 1206 P HA -0.125 nan 4.420 nan 0.000 0.214 1206 P C 0.325 177.611 177.300 -0.024 0.000 1.163 1206 P CA 1.324 64.412 63.100 -0.020 0.000 0.889 1206 P CB 0.301 31.989 31.700 -0.020 0.000 0.790 1207 D N -0.839 119.542 120.400 -0.032 0.000 2.317 1207 D HA -0.022 4.620 4.640 0.002 0.000 0.211 1207 D C 0.869 177.147 176.300 -0.038 0.000 0.966 1207 D CA 0.562 54.540 54.000 -0.037 0.000 0.876 1207 D CB -0.251 40.520 40.800 -0.048 0.000 0.927 1207 D HN 0.283 nan 8.370 nan 0.000 0.519 1208 S N -0.872 114.807 115.700 -0.036 0.000 2.589 1208 S HA 0.396 4.868 4.470 0.002 0.000 0.265 1208 S C 1.307 175.895 174.600 -0.020 0.000 1.342 1208 S CA 0.237 58.419 58.200 -0.030 0.000 1.005 1208 S CB 1.710 64.897 63.200 -0.022 0.000 0.909 1208 S HN 0.305 nan 8.310 nan 0.000 0.555 1209 G N -0.567 108.223 108.800 -0.015 0.000 2.227 1209 G HA2 -0.160 3.801 3.960 0.002 0.000 0.168 1209 G HA3 -0.160 3.801 3.960 0.002 0.000 0.168 1209 G C -0.196 174.697 174.900 -0.013 0.000 1.006 1209 G CA -0.012 45.081 45.100 -0.011 0.000 0.684 1209 G HN 0.947 nan 8.290 nan 0.000 0.489 1210 E N 0.677 120.867 120.200 -0.016 0.000 2.371 1210 E HA 0.638 4.989 4.350 0.002 0.000 0.257 1210 E C 0.923 177.514 176.600 -0.016 0.000 1.134 1210 E CA 0.016 56.405 56.400 -0.018 0.000 0.919 1210 E CB 0.784 30.471 29.700 -0.023 0.000 1.025 1210 E HN 0.643 nan 8.360 nan 0.000 0.438 1211 A N 1.446 124.254 122.820 -0.019 0.000 2.371 1211 A HA 0.478 4.800 4.320 0.002 0.000 0.257 1211 A C -0.385 177.182 177.584 -0.029 0.000 1.089 1211 A CA -0.089 51.935 52.037 -0.022 0.000 0.794 1211 A CB -0.262 18.722 19.000 -0.026 0.000 1.029 1211 A HN 0.763 nan 8.150 nan 0.000 0.488 1212 c N 0.046 118.627 118.600 -0.031 0.000 3.292 1212 c HA 0.573 5.144 4.570 0.002 0.000 0.338 1212 c C -0.852 173.203 174.090 -0.058 0.000 1.323 1212 c CA -1.010 55.292 56.329 -0.046 0.000 1.232 1212 c CB 0.959 43.462 42.510 -0.012 0.000 1.517 1212 c HN 0.855 nan 8.230 nan 0.000 0.470 1213 D N 0.903 121.229 120.400 -0.123 0.000 2.339 1213 D HA 0.094 4.736 4.640 0.002 0.000 0.256 1213 D C 0.366 176.687 176.300 0.037 0.000 1.214 1213 D CA 0.737 54.652 54.000 -0.140 0.000 0.877 1213 D CB 1.170 41.674 40.800 -0.493 0.000 1.111 1213 D HN 0.756 nan 8.370 nan 0.000 0.478 1214 Q N 3.008 122.844 119.800 0.059 0.000 2.253 1214 Q HA 0.009 4.350 4.340 0.002 0.000 0.210 1214 Q C -0.334 175.748 176.000 0.136 0.000 0.907 1214 Q CA -0.068 55.793 55.803 0.096 0.000 0.948 1214 Q CB -0.292 28.478 28.738 0.054 0.000 1.033 1214 Q HN 0.513 nan 8.270 nan 0.000 0.471 1215 N N -0.485 118.353 118.700 0.230 0.000 2.741 1215 N HA -0.212 4.530 4.740 0.002 0.000 0.250 1215 N C -0.343 175.243 175.510 0.126 0.000 1.115 1215 N CA 1.074 54.266 53.050 0.236 0.000 0.724 1215 N CB -0.687 37.891 38.487 0.151 0.000 1.090 1215 N HN 0.341 nan 8.380 nan 0.000 0.558 1216 R N -0.686 119.871 120.500 0.095 0.000 2.432 1216 R HA 0.429 4.770 4.340 0.002 0.000 0.260 1216 R C 1.189 177.521 176.300 0.053 0.000 0.935 1216 R CA 0.697 56.833 56.100 0.059 0.000 1.080 1216 R CB 0.549 30.873 30.300 0.041 0.000 1.155 1216 R HN 0.290 nan 8.270 nan 0.000 0.531 1217 A N 0.482 123.346 122.820 0.073 0.000 2.431 1217 A HA 0.472 4.793 4.320 0.002 0.000 0.239 1217 A C 0.757 178.386 177.584 0.075 0.000 1.230 1217 A CA 0.338 52.409 52.037 0.057 0.000 0.928 1217 A CB 0.528 19.549 19.000 0.035 0.000 1.006 1217 A HN 0.332 nan 8.150 nan 0.000 0.520 1218 G N -1.098 107.763 108.800 0.102 0.000 2.655 1218 G HA2 0.003 3.964 3.960 0.002 0.000 0.680 1218 G HA3 0.003 3.964 3.960 0.002 0.000 0.680 1218 G C -0.163 174.825 174.900 0.148 0.000 1.302 1218 G CA -0.515 44.640 45.100 0.092 0.000 0.872 1218 G HN 0.618 nan 8.290 nan 0.000 0.540 1219 T N 0.824 115.434 114.554 0.093 0.000 2.856 1219 T HA 0.414 4.765 4.350 0.002 0.000 0.306 1219 T C 2.013 176.811 174.700 0.164 0.000 1.062 1219 T CA 0.548 62.707 62.100 0.097 0.000 1.083 1219 T CB 1.111 69.994 68.868 0.025 0.000 0.984 1219 T HN 0.904 nan 8.240 nan 0.000 0.542 1220 S N 1.720 117.556 115.700 0.226 0.000 2.377 1220 S HA -0.189 4.282 4.470 0.002 0.000 0.224 1220 S C 2.307 176.966 174.600 0.099 0.000 1.042 1220 S CA 1.647 59.968 58.200 0.201 0.000 1.086 1220 S CB -0.367 62.955 63.200 0.204 0.000 0.995 1220 S HN 0.904 nan 8.310 nan 0.000 0.428 1221 E N 1.716 121.958 120.200 0.070 0.000 2.118 1221 E HA -0.260 4.091 4.350 0.002 0.000 0.195 1221 E C 1.894 178.516 176.600 0.037 0.000 0.992 1221 E CA 1.269 57.695 56.400 0.042 0.000 0.804 1221 E CB -0.621 29.096 29.700 0.029 0.000 0.741 1221 E HN 0.646 nan 8.360 nan 0.000 0.458 1222 Q N 0.629 120.455 119.800 0.043 0.000 2.050 1222 Q HA -0.145 4.197 4.340 0.002 0.000 0.202 1222 Q C 2.417 178.439 176.000 0.036 0.000 0.980 1222 Q CA 1.629 57.453 55.803 0.035 0.000 0.840 1222 Q CB -0.159 28.601 28.738 0.037 0.000 0.898 1222 Q HN 0.458 nan 8.270 nan 0.000 0.424 1223 Q N -0.141 119.689 119.800 0.049 0.000 2.046 1223 Q HA -0.120 4.221 4.340 0.002 0.000 0.200 1223 Q C 2.243 178.257 176.000 0.023 0.000 0.975 1223 Q CA 1.255 57.080 55.803 0.037 0.000 0.836 1223 Q CB -0.319 28.444 28.738 0.042 0.000 0.896 1223 Q HN 0.491 nan 8.270 nan 0.000 0.428 1224 G N 0.975 109.790 108.800 0.026 0.000 2.440 1224 G HA2 -0.321 3.641 3.960 0.002 0.000 0.218 1224 G HA3 -0.321 3.641 3.960 0.002 0.000 0.218 1224 G C 0.967 175.875 174.900 0.013 0.000 1.154 1224 G CA 1.313 46.423 45.100 0.017 0.000 0.767 1224 G HN 0.353 nan 8.290 nan 0.000 0.552 1225 D N -0.536 119.874 120.400 0.016 0.000 2.277 1225 D HA -0.029 4.612 4.640 0.002 0.000 0.208 1225 D C 2.204 178.510 176.300 0.010 0.000 0.962 1225 D CA 0.136 54.144 54.000 0.012 0.000 0.865 1225 D CB -0.132 40.675 40.800 0.012 0.000 0.939 1225 D HN 0.167 nan 8.370 nan 0.000 0.510 1226 L N -0.349 120.881 121.223 0.012 0.000 2.291 1226 L HA 0.070 4.411 4.340 0.002 0.000 0.214 1226 L C 1.980 178.854 176.870 0.007 0.000 1.120 1226 L CA 1.255 56.101 54.840 0.010 0.000 0.799 1226 L CB -0.677 41.390 42.059 0.013 0.000 0.925 1226 L HN -0.014 nan 8.230 nan 0.000 0.446 1227 S N -0.930 114.774 115.700 0.006 0.000 2.404 1227 S HA -0.136 4.336 4.470 0.002 0.000 0.223 1227 S C 2.082 176.683 174.600 0.002 0.000 1.040 1227 S CA 0.810 59.012 58.200 0.003 0.000 0.957 1227 S CB -0.225 62.975 63.200 0.001 0.000 0.826 1227 S HN 0.521 nan 8.310 nan 0.000 0.491 1228 K N 0.510 120.912 120.400 0.004 0.000 2.360 1228 K HA 0.040 4.361 4.320 0.002 0.000 0.201 1228 K C 1.571 178.172 176.600 0.003 0.000 1.046 1228 K CA 0.778 57.067 56.287 0.003 0.000 0.945 1228 K CB 0.003 32.505 32.500 0.004 0.000 0.750 1228 K HN 0.273 nan 8.250 nan 0.000 0.464 1229 R N -0.327 120.175 120.500 0.003 0.000 2.359 1229 R HA 0.035 4.376 4.340 0.002 0.000 0.231 1229 R C 1.190 177.492 176.300 0.002 0.000 0.913 1229 R CA 0.819 56.921 56.100 0.003 0.000 1.075 1229 R CB 0.632 30.934 30.300 0.004 0.000 1.087 1229 R HN 0.337 nan 8.270 nan 0.000 0.515 1230 T N -2.867 111.688 114.554 0.002 0.000 3.232 1230 T HA 0.054 4.405 4.350 0.002 0.000 0.259 1230 T C 1.263 175.963 174.700 0.000 0.000 0.987 1230 T CA 0.306 62.407 62.100 0.001 0.000 1.096 1230 T CB 0.226 69.095 68.868 0.001 0.000 1.131 1230 T HN 0.168 nan 8.240 nan 0.000 0.445 1231 K N 1.425 121.825 120.400 -0.000 0.000 7.912 1231 K HA -0.418 3.904 4.320 0.002 0.000 0.411 1231 K C 0.113 176.712 176.600 -0.001 0.000 0.571 1231 K CA 1.923 58.209 56.287 -0.001 0.000 1.414 1231 K CB -2.048 30.452 32.500 -0.000 0.000 0.802 1231 K HN 0.478 nan 8.250 nan 0.000 1.004 1232 K N 0.000 120.399 120.400 -0.001 0.000 2.780 1232 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1232 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 1232 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543