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 2c42_1_A 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 3.959 3.960 -0.002 0.000 0.244 2 G C 0.000 174.913 174.900 0.021 0.000 0.946 2 G CA 0.000 45.110 45.100 0.017 0.000 0.502 3 K N -0.132 120.272 120.400 0.006 0.000 2.520 3 K HA 0.800 5.119 4.320 -0.002 0.000 0.256 3 K C -0.293 176.290 176.600 -0.028 0.000 1.033 3 K CA -0.744 55.539 56.287 -0.007 0.000 1.007 3 K CB 1.095 33.587 32.500 -0.013 0.000 1.330 3 K HN 0.520 nan 8.250 nan 0.000 0.507 4 K N 0.825 121.192 120.400 -0.055 0.000 2.594 4 K HA 0.104 4.423 4.320 -0.002 0.000 0.274 4 K C -1.579 174.964 176.600 -0.096 0.000 1.025 4 K CA -0.362 55.882 56.287 -0.072 0.000 1.010 4 K CB 0.689 33.143 32.500 -0.076 0.000 1.377 4 K HN 0.351 nan 8.250 nan 0.000 0.429 5 M N 4.978 124.529 119.600 -0.082 0.000 2.342 5 M HA 0.584 5.063 4.480 -0.002 0.000 0.332 5 M C -0.037 176.215 176.300 -0.080 0.000 1.166 5 M CA -0.238 55.011 55.300 -0.084 0.000 1.086 5 M CB 0.820 33.373 32.600 -0.078 0.000 1.541 5 M HN 0.805 nan 8.290 nan 0.000 0.462 6 M N 0.077 119.633 119.600 -0.073 0.000 2.724 6 M HA 0.408 4.887 4.480 -0.002 0.000 0.280 6 M C -1.118 175.165 176.300 -0.029 0.000 1.090 6 M CA -0.844 54.424 55.300 -0.053 0.000 0.838 6 M CB 1.685 34.242 32.600 -0.072 0.000 1.729 6 M HN 0.563 nan 8.290 nan 0.000 0.530 7 T N -0.321 114.232 114.554 -0.001 0.000 2.733 7 T HA 0.723 5.072 4.350 -0.002 0.000 0.294 7 T C -0.329 174.387 174.700 0.026 0.000 0.956 7 T CA -0.282 61.832 62.100 0.024 0.000 0.987 7 T CB 1.315 70.212 68.868 0.050 0.000 0.920 7 T HN 0.892 nan 8.240 nan 0.000 0.470 8 T N 1.734 116.306 114.554 0.029 0.000 2.762 8 T HA 0.516 4.865 4.350 -0.002 0.000 0.301 8 T C -1.758 172.971 174.700 0.049 0.000 1.299 8 T CA -0.685 61.438 62.100 0.038 0.000 1.005 8 T CB 1.700 70.584 68.868 0.028 0.000 1.377 8 T HN 0.851 nan 8.240 nan 0.000 0.504 9 D N -0.367 120.063 120.400 0.050 0.000 2.440 9 D HA 0.488 5.127 4.640 -0.002 0.000 0.258 9 D C 1.560 177.886 176.300 0.043 0.000 1.092 9 D CA 0.040 54.075 54.000 0.060 0.000 1.016 9 D CB 0.171 40.998 40.800 0.045 0.000 1.141 9 D HN 0.665 nan 8.370 nan 0.000 0.552 10 G N -0.199 108.637 108.800 0.059 0.000 2.440 10 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.218 10 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.218 10 G C 1.302 176.145 174.900 -0.095 0.000 1.154 10 G CA 0.535 45.602 45.100 -0.055 0.000 0.767 10 G HN 0.477 nan 8.290 nan 0.000 0.552 11 N N 0.400 119.167 118.700 0.112 0.000 2.058 11 N HA -0.094 4.645 4.740 -0.002 0.000 0.191 11 N C 2.443 177.995 175.510 0.070 0.000 1.037 11 N CA 1.788 54.932 53.050 0.156 0.000 0.848 11 N CB -0.777 37.741 38.487 0.051 0.000 1.021 11 N HN 0.243 nan 8.380 nan 0.000 0.422 12 T N 1.126 115.714 114.554 0.056 0.000 2.746 12 T HA -0.039 4.310 4.350 -0.002 0.000 0.267 12 T C 1.967 176.797 174.700 0.217 0.000 1.039 12 T CA 1.304 63.491 62.100 0.146 0.000 1.142 12 T CB -0.349 68.602 68.868 0.138 0.000 0.866 12 T HN 0.331 nan 8.240 nan 0.000 0.444 13 A N 1.331 124.222 122.820 0.119 0.000 1.933 13 A HA -0.125 4.194 4.320 -0.002 0.000 0.218 13 A C 2.538 180.227 177.584 0.174 0.000 1.175 13 A CA 2.010 54.130 52.037 0.137 0.000 0.628 13 A CB -1.130 17.909 19.000 0.066 0.000 0.814 13 A HN 0.477 nan 8.150 nan 0.000 0.444 14 T N 0.001 114.600 114.554 0.076 0.000 2.770 14 T HA 0.097 4.446 4.350 -0.002 0.000 0.263 14 T C 2.277 177.047 174.700 0.117 0.000 1.039 14 T CA 1.318 63.458 62.100 0.067 0.000 1.142 14 T CB -0.429 68.494 68.868 0.092 0.000 0.868 14 T HN 0.571 nan 8.240 nan 0.000 0.435 15 A N 1.200 124.134 122.820 0.189 0.000 1.940 15 A HA -0.192 4.127 4.320 -0.002 0.000 0.219 15 A C 1.952 179.870 177.584 0.555 0.000 1.176 15 A CA 2.294 54.498 52.037 0.279 0.000 0.631 15 A CB -1.011 18.032 19.000 0.070 0.000 0.814 15 A HN 0.694 nan 8.150 nan 0.000 0.446 16 H N -0.291 119.035 119.070 0.427 0.000 2.319 16 H HA -0.138 4.417 4.556 -0.002 0.000 0.297 16 H C 1.758 177.205 175.328 0.198 0.000 1.097 16 H CA 2.430 58.653 56.048 0.293 0.000 1.285 16 H CB -0.135 29.760 29.762 0.222 0.000 1.368 16 H HN 0.162 nan 8.280 nan 0.000 0.495 17 V N 0.395 120.376 119.914 0.111 0.000 2.346 17 V HA -0.125 3.994 4.120 -0.002 0.000 0.244 17 V C 2.760 178.722 176.094 -0.220 0.000 1.037 17 V CA 1.334 63.543 62.300 -0.151 0.000 1.029 17 V CB -1.153 30.565 31.823 -0.175 0.000 0.663 17 V HN 0.693 nan 8.190 nan 0.000 0.454 18 A N -0.685 122.115 122.820 -0.034 0.000 1.917 18 A HA -0.316 4.003 4.320 -0.002 0.000 0.219 18 A C 2.165 179.792 177.584 0.072 0.000 1.182 18 A CA 2.373 54.449 52.037 0.064 0.000 0.633 18 A CB -0.879 18.332 19.000 0.352 0.000 0.819 18 A HN 0.635 nan 8.150 nan 0.000 0.448 19 Y N 0.359 120.732 120.300 0.121 0.000 2.145 19 Y HA -0.135 4.414 4.550 -0.002 0.000 0.286 19 Y C 2.744 178.579 175.900 -0.109 0.000 1.145 19 Y CA 1.653 59.847 58.100 0.157 0.000 1.148 19 Y CB -0.457 38.243 38.460 0.400 0.000 0.981 19 Y HN 0.327 nan 8.280 nan 0.000 0.507 20 A N -0.074 122.546 122.820 -0.333 0.000 1.908 20 A HA -0.199 4.120 4.320 -0.002 0.000 0.218 20 A C 1.956 179.253 177.584 -0.479 0.000 1.181 20 A CA 2.042 53.604 52.037 -0.791 0.000 0.627 20 A CB -0.561 17.397 19.000 -1.737 0.000 0.818 20 A HN 0.491 nan 8.150 nan 0.000 0.445 21 M N 0.196 119.515 119.600 -0.469 0.000 2.561 21 M HA 0.186 4.665 4.480 -0.002 0.000 0.238 21 M C -0.039 176.176 176.300 -0.142 0.000 1.131 21 M CA 0.332 55.399 55.300 -0.389 0.000 1.046 21 M CB -0.855 31.317 32.600 -0.714 0.000 1.532 21 M HN 0.183 nan 8.290 nan 0.000 0.497 22 S N -0.169 115.473 115.700 -0.096 0.000 2.566 22 S HA 0.414 4.883 4.470 -0.002 0.000 0.298 22 S C 0.711 175.323 174.600 0.020 0.000 1.083 22 S CA -0.725 57.492 58.200 0.028 0.000 0.978 22 S CB 2.528 65.760 63.200 0.053 0.000 1.073 22 S HN 0.235 nan 8.310 nan 0.000 0.491 23 E N 0.096 120.318 120.200 0.036 0.000 2.330 23 E HA 0.218 4.567 4.350 -0.002 0.000 0.200 23 E C -0.417 176.176 176.600 -0.011 0.000 0.922 23 E CA 0.336 56.730 56.400 -0.009 0.000 0.935 23 E CB 0.608 30.264 29.700 -0.073 0.000 0.917 23 E HN 0.276 nan 8.360 nan 0.000 0.491 24 V N 0.630 120.554 119.914 0.016 0.000 2.876 24 V HA 0.720 4.839 4.120 -0.002 0.000 0.312 24 V C -1.151 174.966 176.094 0.038 0.000 1.085 24 V CA -0.971 61.345 62.300 0.027 0.000 0.945 24 V CB 1.896 33.739 31.823 0.033 0.000 1.017 24 V HN 0.134 nan 8.190 nan 0.000 0.428 25 A N 2.577 125.424 122.820 0.045 0.000 2.437 25 A HA 0.912 5.231 4.320 -0.002 0.000 0.293 25 A C -0.567 177.036 177.584 0.031 0.000 1.038 25 A CA -0.147 51.913 52.037 0.039 0.000 0.708 25 A CB 1.606 20.675 19.000 0.116 0.000 1.251 25 A HN 1.527 nan 8.150 nan 0.000 0.409 26 A N 3.731 126.546 122.820 -0.008 0.000 2.273 26 A HA 0.717 5.036 4.320 -0.002 0.000 0.315 26 A C -0.003 177.562 177.584 -0.031 0.000 1.256 26 A CA -0.438 51.589 52.037 -0.016 0.000 0.851 26 A CB 0.142 19.134 19.000 -0.013 0.000 1.172 26 A HN 1.673 nan 8.150 nan 0.000 0.508 27 I N -0.615 119.934 120.570 -0.035 0.000 3.170 27 I HA 0.831 5.000 4.170 -0.002 0.000 0.312 27 I C -1.550 174.578 176.117 0.018 0.000 1.085 27 I CA -1.346 59.947 61.300 -0.012 0.000 0.999 27 I CB 1.697 39.702 38.000 0.007 0.000 1.233 27 I HN 0.638 nan 8.210 nan 0.000 0.467 28 Y N 2.800 123.055 120.300 -0.076 0.000 2.436 28 Y HA 0.581 5.130 4.550 -0.002 0.000 0.327 28 Y C -2.845 173.095 175.900 0.067 0.000 1.138 28 Y CA -1.516 56.576 58.100 -0.012 0.000 1.042 28 Y CB 2.144 40.628 38.460 0.040 0.000 1.302 28 Y HN 0.513 nan 8.280 nan 0.000 0.439 29 P HA 0.446 nan 4.420 nan 0.000 0.276 29 P C -1.019 176.260 177.300 -0.035 0.000 1.230 29 P CA 0.094 63.139 63.100 -0.092 0.000 0.776 29 P CB 1.968 33.655 31.700 -0.022 0.000 0.888 30 I N 1.171 121.752 120.570 0.020 0.000 2.715 30 I HA 0.134 4.303 4.170 -0.002 0.000 0.288 30 I C -0.699 175.406 176.117 -0.020 0.000 1.371 30 I CA -0.333 60.972 61.300 0.010 0.000 1.056 30 I CB 2.089 40.128 38.000 0.065 0.000 1.339 30 I HN 0.161 nan 8.210 nan 0.000 0.425 31 T N 8.879 123.402 114.554 -0.052 0.000 2.916 31 T HA 0.221 4.570 4.350 -0.002 0.000 0.303 31 T C -2.115 172.519 174.700 -0.110 0.000 1.025 31 T CA -0.444 61.608 62.100 -0.081 0.000 1.142 31 T CB 0.593 69.421 68.868 -0.068 0.000 0.947 31 T HN 0.485 nan 8.240 nan 0.000 0.544 32 P HA 0.184 nan 4.420 nan 0.000 0.262 32 P C 0.745 177.988 177.300 -0.095 0.000 1.651 32 P CA -0.218 62.703 63.100 -0.300 0.000 1.119 32 P CB 0.114 31.238 31.700 -0.960 0.000 1.552 33 S N -2.020 113.646 115.700 -0.056 0.000 2.528 33 S HA 0.008 4.477 4.470 -0.002 0.000 0.219 33 S C 1.799 176.400 174.600 0.003 0.000 0.985 33 S CA 0.344 58.545 58.200 0.002 0.000 0.914 33 S CB -0.850 62.381 63.200 0.052 0.000 0.776 33 S HN -0.016 nan 8.310 nan 0.000 0.526 34 S N 2.360 118.057 115.700 -0.004 0.000 2.389 34 S HA -0.168 4.301 4.470 -0.002 0.000 0.231 34 S C 1.939 176.496 174.600 -0.071 0.000 1.052 34 S CA 2.060 60.260 58.200 -0.001 0.000 1.053 34 S CB -1.158 62.040 63.200 -0.003 0.000 0.886 34 S HN 0.741 nan 8.310 nan 0.000 0.456 35 T N 2.458 116.942 114.554 -0.118 0.000 2.699 35 T HA -0.118 4.231 4.350 -0.002 0.000 0.268 35 T C 1.768 176.291 174.700 -0.294 0.000 1.036 35 T CA 1.484 63.465 62.100 -0.198 0.000 1.147 35 T CB -0.372 68.370 68.868 -0.209 0.000 0.862 35 T HN 0.388 nan 8.240 nan 0.000 0.446 36 M N 0.611 120.011 119.600 -0.333 0.000 2.086 36 M HA -0.027 4.452 4.480 -0.002 0.000 0.261 36 M C 2.822 178.603 176.300 -0.866 0.000 1.067 36 M CA 1.809 56.716 55.300 -0.656 0.000 1.116 36 M CB -0.789 31.317 32.600 -0.824 0.000 1.348 36 M HN 0.392 nan 8.290 nan 0.000 0.407 37 G N 0.022 108.490 108.800 -0.554 0.000 2.402 37 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.216 37 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.216 37 G C 1.333 176.248 174.900 0.025 0.000 1.162 37 G CA 0.677 45.734 45.100 -0.073 0.000 0.777 37 G HN 0.492 nan 8.290 nan 0.000 0.539 38 E N 0.417 120.522 120.200 -0.159 0.000 2.077 38 E HA -0.103 4.246 4.350 -0.002 0.000 0.193 38 E C 2.432 178.748 176.600 -0.472 0.000 0.989 38 E CA 1.031 57.179 56.400 -0.419 0.000 0.800 38 E CB -0.091 29.370 29.700 -0.398 0.000 0.746 38 E HN 0.560 nan 8.360 nan 0.000 0.452 39 E N 0.684 120.527 120.200 -0.595 0.000 2.077 39 E HA -0.185 4.164 4.350 -0.002 0.000 0.193 39 E C 2.127 178.031 176.600 -1.161 0.000 0.989 39 E CA 0.859 56.634 56.400 -1.041 0.000 0.800 39 E CB -0.138 28.783 29.700 -1.297 0.000 0.746 39 E HN 0.220 nan 8.360 nan 0.000 0.452 40 A N 1.493 123.942 122.820 -0.618 0.000 1.908 40 A HA -0.286 4.033 4.320 -0.002 0.000 0.218 40 A C 1.882 179.549 177.584 0.139 0.000 1.181 40 A CA 2.092 54.124 52.037 -0.008 0.000 0.627 40 A CB -0.578 18.569 19.000 0.245 0.000 0.818 40 A HN 0.234 nan 8.150 nan 0.000 0.445 41 D N -0.511 119.899 120.400 0.018 0.000 2.097 41 D HA -0.137 4.502 4.640 -0.002 0.000 0.197 41 D C 1.376 177.671 176.300 -0.009 0.000 0.984 41 D CA 1.434 55.471 54.000 0.062 0.000 0.826 41 D CB -0.094 40.685 40.800 -0.035 0.000 0.973 41 D HN 0.363 nan 8.370 nan 0.000 0.460 42 D N -0.271 120.029 120.400 -0.166 0.000 2.092 42 D HA -0.171 4.468 4.640 -0.002 0.000 0.193 42 D C 1.959 178.296 176.300 0.061 0.000 0.994 42 D CA 0.767 54.702 54.000 -0.110 0.000 0.828 42 D CB -0.487 40.184 40.800 -0.214 0.000 0.963 42 D HN 0.447 nan 8.370 nan 0.000 0.450 43 W N 1.424 122.673 121.300 -0.085 0.000 2.342 43 W HA -0.003 4.656 4.660 -0.002 0.000 0.297 43 W C 2.587 179.052 176.519 -0.089 0.000 1.213 43 W CA 0.634 57.856 57.345 -0.204 0.000 1.251 43 W CB -1.342 27.794 29.460 -0.540 0.000 1.136 43 W HN -0.021 nan 8.180 nan 0.000 0.526 44 A N 0.446 123.472 122.820 0.342 0.000 1.898 44 A HA 0.016 4.335 4.320 -0.002 0.000 0.216 44 A C 2.266 179.979 177.584 0.216 0.000 1.181 44 A CA 2.669 54.939 52.037 0.388 0.000 0.620 44 A CB -1.076 18.160 19.000 0.394 0.000 0.819 44 A HN 0.126 nan 8.150 nan 0.000 0.442 45 A N -0.657 122.255 122.820 0.153 0.000 1.930 45 A HA -0.174 4.145 4.320 -0.002 0.000 0.217 45 A C 2.048 179.693 177.584 0.103 0.000 1.175 45 A CA 1.511 53.607 52.037 0.099 0.000 0.627 45 A CB -0.516 18.519 19.000 0.059 0.000 0.815 45 A HN 0.649 nan 8.150 nan 0.000 0.443 46 Q N -1.780 118.088 119.800 0.113 0.000 2.369 46 Q HA 0.162 4.501 4.340 -0.002 0.000 0.206 46 Q C 1.209 177.254 176.000 0.075 0.000 0.963 46 Q CA 0.639 56.498 55.803 0.093 0.000 0.894 46 Q CB -0.026 28.769 28.738 0.095 0.000 0.965 46 Q HN 0.906 nan 8.270 nan 0.000 0.475 47 G N 1.256 110.113 108.800 0.095 0.000 2.168 47 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.197 47 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.197 47 G C 0.006 174.959 174.900 0.087 0.000 0.997 47 G CA -0.206 44.947 45.100 0.089 0.000 0.658 47 G HN 0.226 nan 8.290 nan 0.000 0.513 48 R N 0.921 121.460 120.500 0.066 0.000 2.538 48 R HA 0.408 4.747 4.340 -0.002 0.000 0.282 48 R C 0.058 176.519 176.300 0.268 0.000 1.009 48 R CA 0.391 56.498 56.100 0.011 0.000 1.063 48 R CB 0.361 30.491 30.300 -0.283 0.000 0.945 48 R HN -0.006 nan 8.270 nan 0.000 0.414 49 K N 2.952 123.502 120.400 0.250 0.000 2.156 49 K HA 0.197 4.516 4.320 -0.002 0.000 0.254 49 K C -0.228 176.644 176.600 0.453 0.000 0.950 49 K CA -0.928 55.554 56.287 0.325 0.000 0.849 49 K CB 1.418 34.027 32.500 0.183 0.000 1.100 49 K HN 0.720 nan 8.250 nan 0.000 0.434 50 N N 0.831 119.730 118.700 0.331 0.000 2.374 50 N HA 0.088 4.827 4.740 -0.002 0.000 0.284 50 N C 1.259 176.815 175.510 0.076 0.000 1.280 50 N CA -0.377 52.779 53.050 0.177 0.000 0.963 50 N CB -0.086 38.421 38.487 0.034 0.000 1.141 50 N HN 0.636 nan 8.380 nan 0.000 0.565 51 I N -4.540 115.927 120.570 -0.172 0.000 2.850 51 I HA 0.012 4.181 4.170 -0.002 0.000 0.266 51 I C 0.342 176.217 176.117 -0.404 0.000 1.257 51 I CA 1.192 62.294 61.300 -0.331 0.000 1.465 51 I CB -0.566 37.099 38.000 -0.559 0.000 1.091 51 I HN 0.192 nan 8.210 nan 0.000 0.467 52 F N 2.030 121.988 119.950 0.014 0.000 2.727 52 F HA 0.452 4.978 4.527 -0.001 0.000 0.302 52 F C 1.870 177.693 175.800 0.038 0.000 1.097 52 F CA 0.399 58.412 58.000 0.022 0.000 1.330 52 F CB 0.284 39.293 39.000 0.015 0.000 1.084 52 F HN 0.257 nan 8.300 nan 0.000 0.578 53 G N 0.228 109.131 108.800 0.172 0.000 2.143 53 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.248 53 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.248 53 G C -0.012 174.979 174.900 0.152 0.000 0.991 53 G CA -0.228 44.957 45.100 0.141 0.000 0.689 53 G HN 0.245 nan 8.290 nan 0.000 0.522 54 Q N 0.373 120.282 119.800 0.182 0.000 2.348 54 Q HA 0.638 4.977 4.340 -0.002 0.000 0.271 54 Q C 0.539 176.636 176.000 0.163 0.000 1.067 54 Q CA 0.062 55.954 55.803 0.148 0.000 0.839 54 Q CB 1.494 30.304 28.738 0.120 0.000 1.354 54 Q HN 0.603 nan 8.270 nan 0.000 0.447 55 T N -1.580 113.066 114.554 0.154 0.000 2.910 55 T HA 0.403 4.752 4.350 -0.002 0.000 0.293 55 T C 0.323 175.089 174.700 0.110 0.000 1.015 55 T CA -0.799 61.426 62.100 0.209 0.000 1.094 55 T CB 0.544 69.530 68.868 0.196 0.000 0.968 55 T HN 0.408 nan 8.240 nan 0.000 0.521 56 L N 2.764 124.014 121.223 0.045 0.000 2.453 56 L HA 0.290 4.629 4.340 -0.002 0.000 0.272 56 L C 0.431 177.329 176.870 0.048 0.000 1.182 56 L CA 0.591 55.378 54.840 -0.089 0.000 0.858 56 L CB 0.467 42.328 42.059 -0.330 0.000 1.120 56 L HN 0.864 nan 8.230 nan 0.000 0.474 57 T N 7.447 122.019 114.554 0.030 0.000 2.794 57 T HA 0.399 4.748 4.350 -0.002 0.000 0.304 57 T C -0.159 174.579 174.700 0.063 0.000 0.973 57 T CA 0.072 62.201 62.100 0.049 0.000 0.972 57 T CB -0.307 68.578 68.868 0.028 0.000 0.952 57 T HN 0.528 nan 8.240 nan 0.000 0.509 58 I N 3.592 124.219 120.570 0.095 0.000 2.509 58 I HA 0.653 4.822 4.170 -0.002 0.000 0.293 58 I C -1.052 175.114 176.117 0.081 0.000 1.020 58 I CA -0.917 60.448 61.300 0.109 0.000 1.088 58 I CB 1.062 39.176 38.000 0.191 0.000 1.267 58 I HN 0.317 nan 8.210 nan 0.000 0.430 59 R N 5.606 126.124 120.500 0.030 0.000 2.673 59 R HA 0.349 4.688 4.340 -0.002 0.000 0.281 59 R C -1.292 174.951 176.300 -0.095 0.000 0.991 59 R CA -0.786 55.308 56.100 -0.010 0.000 0.896 59 R CB 2.020 32.322 30.300 0.002 0.000 1.201 59 R HN 0.693 nan 8.270 nan 0.000 0.457 60 E N 3.352 123.457 120.200 -0.159 0.000 2.227 60 E HA 0.248 4.597 4.350 -0.002 0.000 0.282 60 E C -0.221 176.353 176.600 -0.043 0.000 1.015 60 E CA -0.465 55.793 56.400 -0.236 0.000 0.823 60 E CB 0.793 30.255 29.700 -0.396 0.000 1.081 60 E HN 0.209 nan 8.360 nan 0.000 0.396 61 M N 2.418 122.051 119.600 0.055 0.000 2.513 61 M HA 0.048 4.527 4.480 -0.002 0.000 0.250 61 M C 1.047 177.457 176.300 0.184 0.000 1.145 61 M CA -0.237 55.111 55.300 0.081 0.000 0.948 61 M CB 0.470 33.085 32.600 0.026 0.000 1.405 61 M HN 0.620 nan 8.290 nan 0.000 0.546 62 Q N 0.727 120.561 119.800 0.058 0.000 2.424 62 Q HA 0.085 4.424 4.340 -0.002 0.000 0.204 62 Q C -0.177 175.649 176.000 -0.290 0.000 0.933 62 Q CA 0.561 56.402 55.803 0.063 0.000 0.929 62 Q CB 0.327 29.078 28.738 0.021 0.000 1.037 62 Q HN 0.741 nan 8.270 nan 0.000 0.511 63 S N -1.533 113.767 115.700 -0.667 0.000 2.643 63 S HA 0.279 4.749 4.470 -0.002 0.000 0.266 63 S C -0.292 173.885 174.600 -0.706 0.000 1.130 63 S CA -0.402 57.074 58.200 -1.206 0.000 0.817 63 S CB 0.602 63.474 63.200 -0.546 0.000 1.107 63 S HN -0.055 nan 8.310 nan 0.000 0.471 64 E N 0.791 120.711 120.200 -0.466 0.000 2.204 64 E HA 0.151 4.500 4.350 -0.002 0.000 0.194 64 E C 2.115 178.640 176.600 -0.125 0.000 0.989 64 E CA 1.493 57.801 56.400 -0.154 0.000 0.824 64 E CB -0.461 29.210 29.700 -0.048 0.000 0.756 64 E HN 0.704 nan 8.360 nan 0.000 0.477 65 A N 0.467 123.205 122.820 -0.137 0.000 1.930 65 A HA -0.052 4.267 4.320 -0.002 0.000 0.217 65 A C 2.393 179.940 177.584 -0.061 0.000 1.175 65 A CA 1.625 53.616 52.037 -0.076 0.000 0.627 65 A CB -1.056 17.899 19.000 -0.074 0.000 0.815 65 A HN 0.361 nan 8.150 nan 0.000 0.443 66 G N -0.578 108.163 108.800 -0.098 0.000 2.408 66 G HA2 0.056 4.015 3.960 -0.002 0.000 0.217 66 G HA3 0.056 4.015 3.960 -0.002 0.000 0.217 66 G C 1.721 176.600 174.900 -0.036 0.000 1.150 66 G CA 1.298 46.361 45.100 -0.061 0.000 0.776 66 G HN 0.749 nan 8.290 nan 0.000 0.542 67 A N 1.238 124.027 122.820 -0.053 0.000 1.902 67 A HA 0.278 4.597 4.320 -0.002 0.000 0.217 67 A C 2.808 180.372 177.584 -0.032 0.000 1.181 67 A CA 2.215 54.229 52.037 -0.039 0.000 0.623 67 A CB -0.783 18.190 19.000 -0.045 0.000 0.818 67 A HN 0.747 nan 8.150 nan 0.000 0.443 68 A N -0.512 122.289 122.820 -0.032 0.000 1.933 68 A HA 0.131 4.450 4.320 -0.002 0.000 0.218 68 A C 2.387 180.048 177.584 0.127 0.000 1.175 68 A CA 1.899 53.962 52.037 0.043 0.000 0.628 68 A CB -1.317 17.721 19.000 0.063 0.000 0.814 68 A HN 0.712 nan 8.150 nan 0.000 0.444 69 G N -0.598 108.257 108.800 0.092 0.000 2.402 69 G HA2 0.040 3.999 3.960 -0.002 0.000 0.216 69 G HA3 0.040 3.999 3.960 -0.002 0.000 0.216 69 G C 1.720 176.681 174.900 0.102 0.000 1.162 69 G CA 1.336 46.508 45.100 0.121 0.000 0.777 69 G HN 0.767 nan 8.290 nan 0.000 0.539 70 A N 0.123 122.978 122.820 0.059 0.000 1.898 70 A HA 0.121 4.440 4.320 -0.002 0.000 0.216 70 A C 2.587 180.215 177.584 0.074 0.000 1.181 70 A CA 1.658 53.720 52.037 0.042 0.000 0.620 70 A CB -0.599 18.412 19.000 0.019 0.000 0.819 70 A HN 0.232 nan 8.150 nan 0.000 0.442 71 V N -0.278 119.695 119.914 0.098 0.000 2.343 71 V HA -0.321 3.798 4.120 -0.002 0.000 0.247 71 V C 2.444 178.674 176.094 0.226 0.000 1.051 71 V CA 2.332 64.718 62.300 0.143 0.000 1.036 71 V CB -1.005 30.913 31.823 0.159 0.000 0.654 71 V HN 0.849 nan 8.190 nan 0.000 0.451 72 H N -0.044 119.102 119.070 0.127 0.000 2.319 72 H HA -0.150 4.405 4.556 -0.002 0.000 0.299 72 H C 2.271 177.652 175.328 0.089 0.000 1.092 72 H CA 1.391 57.513 56.048 0.122 0.000 1.302 72 H CB -0.166 29.665 29.762 0.115 0.000 1.373 72 H HN 0.457 nan 8.280 nan 0.000 0.497 73 G N 0.040 108.846 108.800 0.010 0.000 2.418 73 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.217 73 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.217 73 G C 1.862 176.759 174.900 -0.005 0.000 1.158 73 G CA 0.726 45.773 45.100 -0.089 0.000 0.771 73 G HN 0.561 nan 8.290 nan 0.000 0.545 74 A N 0.474 123.324 122.820 0.050 0.000 1.898 74 A HA 0.135 4.454 4.320 -0.002 0.000 0.216 74 A C 2.431 180.082 177.584 0.112 0.000 1.181 74 A CA 1.186 53.260 52.037 0.062 0.000 0.620 74 A CB -0.371 18.670 19.000 0.069 0.000 0.819 74 A HN 0.349 nan 8.150 nan 0.000 0.442 75 L N -0.829 120.500 121.223 0.177 0.000 2.056 75 L HA -0.153 4.186 4.340 -0.002 0.000 0.207 75 L C 3.072 180.089 176.870 0.245 0.000 1.078 75 L CA 0.993 56.002 54.840 0.282 0.000 0.749 75 L CB -0.487 41.729 42.059 0.260 0.000 0.901 75 L HN 0.421 nan 8.230 nan 0.000 0.433 76 A N -0.022 122.892 122.820 0.157 0.000 1.972 76 A HA -0.089 4.230 4.320 -0.002 0.000 0.219 76 A C 2.161 179.742 177.584 -0.005 0.000 1.169 76 A CA 1.579 53.664 52.037 0.081 0.000 0.635 76 A CB -0.545 18.450 19.000 -0.008 0.000 0.810 76 A HN 0.381 nan 8.150 nan 0.000 0.446 77 A N -1.475 121.332 122.820 -0.022 0.000 2.370 77 A HA 0.450 4.769 4.320 -0.002 0.000 0.238 77 A C 1.499 179.005 177.584 -0.131 0.000 1.289 77 A CA 0.897 52.892 52.037 -0.070 0.000 0.885 77 A CB -1.185 17.782 19.000 -0.054 0.000 0.961 77 A HN 1.869 nan 8.150 nan 0.000 0.499 78 G N -1.865 106.801 108.800 -0.225 0.000 2.160 78 G HA2 0.130 4.089 3.960 -0.002 0.000 0.244 78 G HA3 0.130 4.089 3.960 -0.002 0.000 0.244 78 G C 0.203 174.979 174.900 -0.207 0.000 1.022 78 G CA 0.292 45.066 45.100 -0.544 0.000 0.741 78 G HN 1.704 nan 8.290 nan 0.000 0.508 79 A N 0.025 122.916 122.820 0.118 0.000 2.331 79 A HA 0.797 5.117 4.320 -0.002 0.000 0.320 79 A C 0.389 178.149 177.584 0.293 0.000 1.138 79 A CA -0.684 51.450 52.037 0.161 0.000 0.790 79 A CB 0.956 19.986 19.000 0.049 0.000 1.206 79 A HN 0.769 nan 8.150 nan 0.000 0.470 80 L N 2.522 123.875 121.223 0.217 0.000 2.477 80 L HA 0.242 4.581 4.340 -0.002 0.000 0.272 80 L C 0.188 177.119 176.870 0.102 0.000 1.157 80 L CA 0.435 55.343 54.840 0.114 0.000 0.889 80 L CB 0.289 42.416 42.059 0.114 0.000 1.158 80 L HN 0.758 nan 8.230 nan 0.000 0.473 81 T N 1.284 115.896 114.554 0.096 0.000 2.907 81 T HA 0.572 4.921 4.350 -0.002 0.000 0.292 81 T C -0.263 174.501 174.700 0.106 0.000 1.043 81 T CA -0.528 61.630 62.100 0.097 0.000 1.003 81 T CB 2.427 71.360 68.868 0.109 0.000 1.084 81 T HN 0.599 nan 8.240 nan 0.000 0.483 82 T N 0.161 114.754 114.554 0.065 0.000 2.816 82 T HA 0.776 5.125 4.350 -0.002 0.000 0.299 82 T C -1.410 173.155 174.700 -0.225 0.000 1.230 82 T CA -0.348 61.757 62.100 0.009 0.000 1.007 82 T CB 2.149 71.088 68.868 0.118 0.000 1.289 82 T HN 0.757 nan 8.240 nan 0.000 0.508 83 T N 0.813 115.099 114.554 -0.447 0.000 2.769 83 T HA 0.719 5.068 4.350 -0.002 0.000 0.306 83 T C -2.084 172.153 174.700 -0.771 0.000 1.400 83 T CA -0.512 61.205 62.100 -0.639 0.000 1.007 83 T CB 0.768 69.338 68.868 -0.496 0.000 1.392 83 T HN 0.415 nan 8.240 nan 0.000 0.500 84 F N 1.297 121.267 119.950 0.032 0.000 2.518 84 F HA 0.750 5.276 4.527 -0.002 0.000 0.323 84 F C 0.623 176.423 175.800 0.001 0.000 1.129 84 F CA -0.600 57.450 58.000 0.082 0.000 0.920 84 F CB 2.475 41.549 39.000 0.124 0.000 1.160 84 F HN 0.607 nan 8.300 nan 0.000 0.440 85 T N 1.069 115.700 114.554 0.128 0.000 2.648 85 T HA 0.897 5.246 4.350 -0.002 0.000 0.304 85 T C -1.854 172.852 174.700 0.010 0.000 1.312 85 T CA -0.192 61.937 62.100 0.047 0.000 1.023 85 T CB 1.550 70.394 68.868 -0.040 0.000 1.612 85 T HN 1.211 nan 8.240 nan 0.000 0.487 86 A N 0.164 122.980 122.820 -0.007 0.000 2.522 86 A HA 0.730 5.050 4.320 -0.002 0.000 0.294 86 A C 0.549 178.119 177.584 -0.023 0.000 1.001 86 A CA 0.700 52.716 52.037 -0.036 0.000 0.642 86 A CB 0.250 19.216 19.000 -0.056 0.000 1.326 86 A HN 2.053 nan 8.150 nan 0.000 0.435 87 S N -0.706 114.973 115.700 -0.035 0.000 4.106 87 S HA -0.359 4.110 4.470 -0.002 0.000 0.541 87 S C 1.698 176.294 174.600 -0.008 0.000 1.846 87 S CA 2.436 60.623 58.200 -0.022 0.000 4.137 87 S CB -1.066 62.125 63.200 -0.015 0.000 0.892 87 S HN 1.334 nan 8.310 nan 0.000 0.535 88 Q N 0.986 120.792 119.800 0.009 0.000 2.197 88 Q HA -0.080 4.259 4.340 -0.002 0.000 0.207 88 Q C 2.335 178.356 176.000 0.035 0.000 0.984 88 Q CA 2.056 57.874 55.803 0.025 0.000 0.869 88 Q CB -1.371 27.397 28.738 0.050 0.000 0.906 88 Q HN 0.810 nan 8.270 nan 0.000 0.426 89 G N 1.097 109.924 108.800 0.046 0.000 2.404 89 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.215 89 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.215 89 G C 1.485 176.386 174.900 0.001 0.000 1.174 89 G CA 0.685 45.815 45.100 0.050 0.000 0.780 89 G HN 0.328 nan 8.290 nan 0.000 0.537 90 L N 0.728 121.942 121.223 -0.014 0.000 2.079 90 L HA 0.056 4.395 4.340 -0.002 0.000 0.210 90 L C 2.713 179.566 176.870 -0.027 0.000 1.081 90 L CA 1.304 56.127 54.840 -0.030 0.000 0.752 90 L CB -0.446 41.586 42.059 -0.045 0.000 0.896 90 L HN 0.208 nan 8.230 nan 0.000 0.433 91 L N -1.208 120.003 121.223 -0.020 0.000 2.042 91 L HA -0.263 4.076 4.340 -0.002 0.000 0.210 91 L C 2.415 179.280 176.870 -0.007 0.000 1.076 91 L CA 1.286 56.117 54.840 -0.014 0.000 0.749 91 L CB -0.655 41.400 42.059 -0.007 0.000 0.893 91 L HN 0.314 nan 8.230 nan 0.000 0.432 92 L N -0.974 120.243 121.223 -0.010 0.000 2.456 92 L HA -0.143 4.196 4.340 -0.002 0.000 0.224 92 L C 2.309 179.173 176.870 -0.009 0.000 1.148 92 L CA 0.809 55.639 54.840 -0.016 0.000 0.825 92 L CB -0.281 41.757 42.059 -0.036 0.000 0.937 92 L HN 0.401 nan 8.230 nan 0.000 0.450 93 M N -1.103 118.494 119.600 -0.004 0.000 2.509 93 M HA -0.006 4.473 4.480 -0.002 0.000 0.250 93 M C 2.093 178.418 176.300 0.043 0.000 1.132 93 M CA 0.686 56.003 55.300 0.028 0.000 1.080 93 M CB 0.135 32.757 32.600 0.036 0.000 1.408 93 M HN 0.174 nan 8.290 nan 0.000 0.484 94 I N 1.145 121.722 120.570 0.011 0.000 2.145 94 I HA -0.272 3.897 4.170 -0.002 0.000 0.244 94 I C -0.632 175.563 176.117 0.131 0.000 1.075 94 I CA 1.898 63.202 61.300 0.006 0.000 1.332 94 I CB -1.716 36.303 38.000 0.031 0.000 1.033 94 I HN 0.157 nan 8.210 nan 0.000 0.410 95 P HA -0.145 nan 4.420 nan 0.000 0.215 95 P C 1.248 178.655 177.300 0.177 0.000 1.153 95 P CA 1.449 64.655 63.100 0.177 0.000 0.853 95 P CB -0.101 31.648 31.700 0.082 0.000 0.788 96 N N -1.443 117.331 118.700 0.124 0.000 2.396 96 N HA -0.006 4.733 4.740 -0.002 0.000 0.180 96 N C 1.610 177.175 175.510 0.093 0.000 1.028 96 N CA 0.908 54.023 53.050 0.108 0.000 0.893 96 N CB -0.288 38.287 38.487 0.146 0.000 0.967 96 N HN 0.205 nan 8.380 nan 0.000 0.440 97 M N -0.637 118.997 119.600 0.056 0.000 2.117 97 M HA -0.178 4.301 4.480 -0.002 0.000 0.262 97 M C 1.587 177.939 176.300 0.087 0.000 1.065 97 M CA 1.443 56.713 55.300 -0.049 0.000 1.114 97 M CB -0.436 31.838 32.600 -0.543 0.000 1.361 97 M HN 0.121 nan 8.290 nan 0.000 0.408 98 Y N 0.475 120.791 120.300 0.027 0.000 2.224 98 Y HA -0.213 4.336 4.550 -0.002 0.000 0.289 98 Y C 2.547 178.452 175.900 0.008 0.000 1.146 98 Y CA 1.165 59.284 58.100 0.033 0.000 1.182 98 Y CB -0.215 38.254 38.460 0.016 0.000 0.983 98 Y HN 0.067 nan 8.280 nan 0.000 0.524 99 K N 0.156 120.624 120.400 0.114 0.000 2.062 99 K HA -0.091 4.228 4.320 -0.002 0.000 0.205 99 K C 2.003 178.487 176.600 -0.192 0.000 1.051 99 K CA 1.181 57.428 56.287 -0.067 0.000 0.941 99 K CB -0.500 31.878 32.500 -0.204 0.000 0.719 99 K HN 0.383 nan 8.250 nan 0.000 0.440 100 I N 1.446 121.907 120.570 -0.182 0.000 2.226 100 I HA -0.285 3.884 4.170 -0.002 0.000 0.245 100 I C 2.499 178.544 176.117 -0.120 0.000 1.100 100 I CA 1.526 62.743 61.300 -0.138 0.000 1.374 100 I CB -0.346 37.669 38.000 0.025 0.000 1.057 100 I HN 0.152 nan 8.210 nan 0.000 0.413 101 S N 0.628 116.294 115.700 -0.057 0.000 2.395 101 S HA -0.028 4.441 4.470 -0.002 0.000 0.225 101 S C 2.184 176.784 174.600 -0.000 0.000 1.027 101 S CA 0.746 58.893 58.200 -0.089 0.000 0.965 101 S CB -1.032 62.184 63.200 0.028 0.000 0.812 101 S HN 0.445 nan 8.310 nan 0.000 0.482 102 G N 1.440 110.261 108.800 0.035 0.000 2.450 102 G HA2 -0.129 3.830 3.960 -0.002 0.000 0.220 102 G HA3 -0.129 3.830 3.960 -0.002 0.000 0.220 102 G C 1.243 176.146 174.900 0.004 0.000 1.130 102 G CA 0.685 45.811 45.100 0.043 0.000 0.760 102 G HN 0.664 nan 8.290 nan 0.000 0.557 103 E N -0.130 120.061 120.200 -0.014 0.000 2.444 103 E HA 0.335 4.684 4.350 -0.002 0.000 0.191 103 E C 0.285 176.850 176.600 -0.059 0.000 1.041 103 E CA -0.456 55.939 56.400 -0.008 0.000 0.883 103 E CB 0.041 29.780 29.700 0.066 0.000 1.024 103 E HN 0.273 nan 8.360 nan 0.000 0.470 104 L N 1.456 122.611 121.223 -0.114 0.000 3.795 104 L HA -0.237 4.102 4.340 -0.002 0.000 0.489 104 L C -0.708 176.079 176.870 -0.138 0.000 1.259 104 L CA 0.259 54.981 54.840 -0.196 0.000 0.765 104 L CB -1.374 40.477 42.059 -0.346 0.000 1.519 104 L HN 0.300 nan 8.230 nan 0.000 0.842 105 L N 2.347 123.496 121.223 -0.122 0.000 2.295 105 L HA 0.408 4.747 4.340 -0.002 0.000 0.285 105 L C -1.290 175.460 176.870 -0.199 0.000 1.035 105 L CA -1.676 53.124 54.840 -0.066 0.000 0.806 105 L CB 1.368 43.449 42.059 0.036 0.000 1.214 105 L HN -0.064 nan 8.230 nan 0.000 0.426 106 P HA 0.031 nan 4.420 nan 0.000 0.249 106 P C 0.325 177.456 177.300 -0.281 0.000 1.686 106 P CA 0.019 62.914 63.100 -0.343 0.000 0.873 106 P CB -0.121 31.256 31.700 -0.537 0.000 1.828 107 G N -0.184 108.478 108.800 -0.230 0.000 2.507 107 G HA2 0.428 4.387 3.960 -0.002 0.000 0.271 107 G HA3 0.428 4.387 3.960 -0.002 0.000 0.271 107 G C -0.860 173.946 174.900 -0.156 0.000 1.189 107 G CA -0.224 44.806 45.100 -0.116 0.000 0.859 107 G HN 0.118 nan 8.290 nan 0.000 0.542 108 V N 1.585 121.476 119.914 -0.038 0.000 2.569 108 V HA 0.376 4.495 4.120 -0.002 0.000 0.301 108 V C -0.750 175.432 176.094 0.146 0.000 1.044 108 V CA -0.590 61.633 62.300 -0.128 0.000 0.874 108 V CB 1.277 32.710 31.823 -0.651 0.000 1.002 108 V HN 0.664 nan 8.190 nan 0.000 0.424 109 F N 2.912 122.811 119.950 -0.084 0.000 2.421 109 F HA 0.543 5.069 4.527 -0.002 0.000 0.337 109 F C 0.311 176.010 175.800 -0.168 0.000 1.105 109 F CA -0.742 57.214 58.000 -0.073 0.000 1.049 109 F CB 1.544 40.558 39.000 0.024 0.000 1.139 109 F HN 0.539 nan 8.300 nan 0.000 0.479 110 H N 1.716 120.961 119.070 0.291 0.000 2.551 110 H HA 0.462 5.017 4.556 -0.002 0.000 0.321 110 H C -0.904 174.558 175.328 0.223 0.000 1.028 110 H CA -0.544 55.730 56.048 0.376 0.000 1.215 110 H CB 1.586 31.709 29.762 0.602 0.000 1.414 110 H HN 0.214 nan 8.280 nan 0.000 0.480 111 V N 3.091 123.096 119.914 0.151 0.000 2.495 111 V HA 0.259 4.378 4.120 -0.002 0.000 0.298 111 V C 0.137 176.000 176.094 -0.385 0.000 1.031 111 V CA -1.002 61.271 62.300 -0.045 0.000 0.871 111 V CB 1.831 33.648 31.823 -0.011 0.000 0.988 111 V HN 0.909 nan 8.190 nan 0.000 0.432 112 T N 1.741 116.045 114.554 -0.417 0.000 2.891 112 T HA 0.632 4.981 4.350 -0.002 0.000 0.315 112 T C 0.282 174.840 174.700 -0.237 0.000 1.054 112 T CA -0.202 61.557 62.100 -0.568 0.000 0.958 112 T CB 0.796 69.430 68.868 -0.391 0.000 1.008 112 T HN 1.024 nan 8.240 nan 0.000 0.521 113 A N 4.249 126.982 122.820 -0.146 0.000 2.553 113 A HA 0.377 4.696 4.320 -0.002 0.000 0.258 113 A C 0.686 178.272 177.584 0.004 0.000 1.069 113 A CA -0.212 51.800 52.037 -0.042 0.000 0.767 113 A CB -0.137 18.913 19.000 0.084 0.000 0.997 113 A HN 0.970 nan 8.150 nan 0.000 0.512 114 R N 2.594 123.084 120.500 -0.017 0.000 2.795 114 R HA 0.638 4.977 4.340 -0.002 0.000 0.275 114 R C -0.028 176.279 176.300 0.011 0.000 0.981 114 R CA -0.246 55.863 56.100 0.015 0.000 0.917 114 R CB 1.561 31.857 30.300 -0.006 0.000 1.202 114 R HN 0.913 nan 8.270 nan 0.000 0.469 115 A N 3.891 126.732 122.820 0.036 0.000 2.507 115 A HA 0.217 4.536 4.320 -0.002 0.000 0.235 115 A C 0.113 177.703 177.584 0.010 0.000 1.070 115 A CA -0.045 52.007 52.037 0.026 0.000 0.768 115 A CB 0.121 19.151 19.000 0.052 0.000 1.011 115 A HN 0.521 nan 8.150 nan 0.000 0.502 116 I N 0.920 121.495 120.570 0.008 0.000 2.428 116 I HA 0.373 4.542 4.170 -0.002 0.000 0.296 116 I C 0.944 177.058 176.117 -0.005 0.000 0.985 116 I CA -0.309 60.991 61.300 0.000 0.000 1.260 116 I CB 1.078 39.080 38.000 0.003 0.000 1.389 116 I HN 0.716 nan 8.210 nan 0.000 0.484 117 A N 4.767 127.575 122.820 -0.021 0.000 2.396 117 A HA 0.606 4.925 4.320 -0.002 0.000 0.279 117 A C 0.459 178.021 177.584 -0.037 0.000 1.165 117 A CA 0.406 52.415 52.037 -0.047 0.000 0.824 117 A CB 0.202 19.171 19.000 -0.052 0.000 1.100 117 A HN 0.976 nan 8.150 nan 0.000 0.516 118 A N 2.135 124.930 122.820 -0.040 0.000 2.085 118 A HA 0.362 4.681 4.320 -0.002 0.000 0.202 118 A C 1.632 179.227 177.584 0.018 0.000 2.124 118 A CA 0.539 52.589 52.037 0.021 0.000 1.584 118 A CB -0.528 18.532 19.000 0.101 0.000 1.136 118 A HN 1.026 nan 8.150 nan 0.000 0.493 119 H N 0.385 119.473 119.070 0.030 0.000 2.491 119 H HA 0.436 4.991 4.556 -0.002 0.000 0.290 119 H C 0.406 175.776 175.328 0.070 0.000 1.050 119 H CA 1.457 57.538 56.048 0.055 0.000 1.309 119 H CB -0.275 29.522 29.762 0.059 0.000 1.392 119 H HN 0.734 nan 8.280 nan 0.000 0.554 120 A N 0.558 122.939 122.820 -0.732 0.000 2.601 120 A HA 0.504 4.823 4.320 -0.002 0.000 0.291 120 A C -1.356 176.045 177.584 -0.306 0.000 1.075 120 A CA -0.740 51.012 52.037 -0.476 0.000 0.671 120 A CB 1.054 19.726 19.000 -0.548 0.000 1.277 120 A HN 0.282 nan 8.150 nan 0.000 0.417 121 L N 0.694 121.825 121.223 -0.154 0.000 2.379 121 L HA 0.836 5.175 4.340 -0.002 0.000 0.269 121 L C 0.011 176.850 176.870 -0.052 0.000 1.084 121 L CA -0.079 54.709 54.840 -0.086 0.000 0.802 121 L CB 1.655 43.683 42.059 -0.052 0.000 1.175 121 L HN 0.881 nan 8.230 nan 0.000 0.448 122 S N 3.209 118.901 115.700 -0.012 0.000 2.572 122 S HA 0.368 4.837 4.470 -0.002 0.000 0.274 122 S C 0.219 174.826 174.600 0.012 0.000 1.150 122 S CA -0.811 57.425 58.200 0.060 0.000 0.944 122 S CB 1.314 64.586 63.200 0.119 0.000 1.071 122 S HN 0.690 nan 8.310 nan 0.000 0.479 123 I N 1.019 121.532 120.570 -0.094 0.000 3.793 123 I HA 0.460 4.629 4.170 -0.002 0.000 0.315 123 I C -0.440 175.533 176.117 -0.240 0.000 1.275 123 I CA -0.219 60.958 61.300 -0.205 0.000 1.214 123 I CB -0.213 37.606 38.000 -0.301 0.000 1.018 123 I HN 0.292 nan 8.210 nan 0.000 0.439 124 F N 2.141 122.151 119.950 0.099 0.000 2.368 124 F HA 0.630 5.156 4.527 -0.002 0.000 0.315 124 F C 1.442 177.326 175.800 0.140 0.000 1.145 124 F CA -0.453 57.633 58.000 0.143 0.000 1.095 124 F CB 0.403 39.400 39.000 -0.006 0.000 1.286 124 F HN -0.115 nan 8.300 nan 0.000 0.530 125 G N 0.501 109.532 108.800 0.385 0.000 2.370 125 G HA2 0.501 4.460 3.960 -0.002 0.000 0.272 125 G HA3 0.501 4.460 3.960 -0.002 0.000 0.272 125 G C -1.443 173.509 174.900 0.087 0.000 1.208 125 G CA -0.188 45.041 45.100 0.216 0.000 0.856 125 G HN 0.728 nan 8.290 nan 0.000 0.500 126 D N -1.267 119.148 120.400 0.026 0.000 2.764 126 D HA 0.073 4.712 4.640 -0.002 0.000 0.293 126 D C -0.356 175.931 176.300 -0.023 0.000 1.287 126 D CA -0.765 53.157 54.000 -0.130 0.000 0.768 126 D CB 0.192 40.903 40.800 -0.148 0.000 1.288 126 D HN 0.429 nan 8.370 nan 0.000 0.426 127 H N -0.523 118.441 119.070 -0.176 0.000 2.537 127 H HA 0.199 4.754 4.556 -0.002 0.000 0.295 127 H C 0.772 175.961 175.328 -0.232 0.000 1.054 127 H CA -0.132 55.717 56.048 -0.332 0.000 1.156 127 H CB 0.522 29.918 29.762 -0.610 0.000 1.468 127 H HN 0.269 nan 8.280 nan 0.000 0.551 128 Q N 0.905 120.714 119.800 0.015 0.000 2.124 128 Q HA -0.161 4.178 4.340 -0.002 0.000 0.202 128 Q C 1.601 177.601 176.000 -0.001 0.000 0.977 128 Q CA 1.632 57.462 55.803 0.045 0.000 0.850 128 Q CB 0.138 28.889 28.738 0.022 0.000 0.901 128 Q HN 0.680 nan 8.270 nan 0.000 0.429 129 D N 0.878 121.241 120.400 -0.062 0.000 2.103 129 D HA -0.169 4.470 4.640 -0.002 0.000 0.199 129 D C 1.920 178.121 176.300 -0.164 0.000 0.978 129 D CA 1.142 55.087 54.000 -0.090 0.000 0.829 129 D CB -0.621 40.127 40.800 -0.087 0.000 0.981 129 D HN 0.429 nan 8.370 nan 0.000 0.464 130 I N -2.012 118.364 120.570 -0.324 0.000 2.286 130 I HA -0.160 4.009 4.170 -0.002 0.000 0.248 130 I C 2.384 178.301 176.117 -0.334 0.000 1.115 130 I CA 1.040 62.047 61.300 -0.489 0.000 1.392 130 I CB -1.115 36.248 38.000 -1.063 0.000 1.065 130 I HN -0.087 nan 8.210 nan 0.000 0.418 131 Y N 1.264 121.411 120.300 -0.255 0.000 2.352 131 Y HA -0.022 4.527 4.550 -0.002 0.000 0.292 131 Y C 2.685 178.528 175.900 -0.095 0.000 1.136 131 Y CA 0.344 58.350 58.100 -0.157 0.000 1.227 131 Y CB -0.143 38.243 38.460 -0.122 0.000 0.991 131 Y HN 0.306 nan 8.280 nan 0.000 0.545 132 A N -0.350 122.502 122.820 0.053 0.000 2.168 132 A HA 0.129 4.448 4.320 -0.002 0.000 0.215 132 A C 1.857 179.424 177.584 -0.028 0.000 1.152 132 A CA 1.262 53.307 52.037 0.013 0.000 0.716 132 A CB -0.498 18.499 19.000 -0.005 0.000 0.794 132 A HN 0.321 nan 8.150 nan 0.000 0.465 133 A N -0.161 122.617 122.820 -0.071 0.000 2.538 133 A HA 0.276 4.595 4.320 -0.002 0.000 0.269 133 A C 1.629 179.135 177.584 -0.129 0.000 1.231 133 A CA 0.298 52.246 52.037 -0.148 0.000 0.948 133 A CB -0.269 18.594 19.000 -0.229 0.000 1.110 133 A HN 0.589 nan 8.150 nan 0.000 0.529 134 R N 0.306 120.798 120.500 -0.014 0.000 2.237 134 R HA -0.130 4.209 4.340 -0.002 0.000 0.219 134 R C 1.344 177.637 176.300 -0.011 0.000 1.080 134 R CA 1.536 57.673 56.100 0.060 0.000 0.995 134 R CB -0.116 30.324 30.300 0.234 0.000 0.875 134 R HN 0.463 nan 8.270 nan 0.000 0.462 135 Q N 1.342 121.104 119.800 -0.063 0.000 2.319 135 Q HA -0.005 4.334 4.340 -0.002 0.000 0.202 135 Q C 1.082 176.941 176.000 -0.235 0.000 0.896 135 Q CA 1.220 56.979 55.803 -0.073 0.000 0.942 135 Q CB 0.205 28.955 28.738 0.019 0.000 1.083 135 Q HN 0.401 nan 8.270 nan 0.000 0.510 136 T N -3.128 111.165 114.554 -0.435 0.000 3.113 136 T HA 0.256 4.605 4.350 -0.002 0.000 0.263 136 T C 1.389 175.910 174.700 -0.299 0.000 1.143 136 T CA 0.869 62.485 62.100 -0.807 0.000 1.090 136 T CB -0.208 68.216 68.868 -0.741 0.000 0.922 136 T HN 0.545 nan 8.240 nan 0.000 0.521 137 G N 0.363 109.109 108.800 -0.091 0.000 2.157 137 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.239 137 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.239 137 G C -0.189 174.828 174.900 0.195 0.000 0.982 137 G CA -0.315 44.821 45.100 0.060 0.000 0.650 137 G HN 0.494 nan 8.290 nan 0.000 0.527 138 F N 1.763 121.618 119.950 -0.159 0.000 2.384 138 F HA 0.700 5.226 4.527 -0.002 0.000 0.338 138 F C 1.000 176.655 175.800 -0.242 0.000 1.103 138 F CA -0.340 57.519 58.000 -0.235 0.000 1.157 138 F CB 1.336 40.150 39.000 -0.311 0.000 1.167 138 F HN 0.330 nan 8.300 nan 0.000 0.529 139 A N 4.832 127.420 122.820 -0.386 0.000 2.351 139 A HA 0.613 4.932 4.320 -0.002 0.000 0.257 139 A C -0.451 176.948 177.584 -0.308 0.000 1.087 139 A CA -0.365 51.328 52.037 -0.572 0.000 0.798 139 A CB 0.168 18.213 19.000 -1.591 0.000 1.033 139 A HN 0.773 nan 8.150 nan 0.000 0.488 140 M N 1.933 121.492 119.600 -0.069 0.000 2.142 140 M HA 0.392 4.871 4.480 -0.002 0.000 0.299 140 M C -1.305 175.166 176.300 0.286 0.000 0.960 140 M CA -0.340 55.087 55.300 0.213 0.000 0.920 140 M CB 1.770 34.577 32.600 0.346 0.000 1.541 140 M HN 0.537 nan 8.290 nan 0.000 0.429 141 L N 3.424 124.836 121.223 0.316 0.000 2.343 141 L HA 0.872 5.211 4.340 -0.002 0.000 0.278 141 L C -0.716 176.103 176.870 -0.085 0.000 0.996 141 L CA -0.141 54.807 54.840 0.180 0.000 0.831 141 L CB 1.495 43.719 42.059 0.276 0.000 1.232 141 L HN 0.789 nan 8.230 nan 0.000 0.413 142 A N 3.267 125.866 122.820 -0.368 0.000 2.303 142 A HA 0.828 5.147 4.320 -0.002 0.000 0.317 142 A C -0.314 177.083 177.584 -0.311 0.000 1.149 142 A CA -0.411 51.123 52.037 -0.838 0.000 0.822 142 A CB 0.770 19.230 19.000 -0.901 0.000 1.131 142 A HN 0.677 nan 8.150 nan 0.000 0.493 143 S N 0.183 115.751 115.700 -0.220 0.000 2.472 143 S HA 0.453 4.922 4.470 -0.002 0.000 0.303 143 S C 0.970 175.591 174.600 0.036 0.000 1.099 143 S CA 0.019 58.218 58.200 -0.002 0.000 1.077 143 S CB 1.566 64.856 63.200 0.150 0.000 1.031 143 S HN 1.042 nan 8.310 nan 0.000 0.487 144 S N 0.595 116.341 115.700 0.077 0.000 2.539 144 S HA 0.315 4.784 4.470 -0.002 0.000 0.221 144 S C 0.439 175.124 174.600 0.141 0.000 0.987 144 S CA -0.056 58.221 58.200 0.128 0.000 0.929 144 S CB -0.073 63.208 63.200 0.135 0.000 0.832 144 S HN 0.745 nan 8.310 nan 0.000 0.492 145 S N -0.764 115.009 115.700 0.122 0.000 2.643 145 S HA 0.553 5.022 4.470 -0.002 0.000 0.270 145 S C 0.590 175.240 174.600 0.082 0.000 1.166 145 S CA -0.276 57.991 58.200 0.112 0.000 0.815 145 S CB 0.852 64.116 63.200 0.106 0.000 1.139 145 S HN -0.022 nan 8.310 nan 0.000 0.472 146 V N 1.258 121.217 119.914 0.074 0.000 2.343 146 V HA -0.163 3.956 4.120 -0.002 0.000 0.247 146 V C 2.912 179.032 176.094 0.043 0.000 1.051 146 V CA 2.610 64.934 62.300 0.041 0.000 1.036 146 V CB -1.104 30.753 31.823 0.056 0.000 0.654 146 V HN 0.969 nan 8.190 nan 0.000 0.451 147 Q N 0.592 120.435 119.800 0.072 0.000 2.084 147 Q HA -0.222 4.117 4.340 -0.002 0.000 0.202 147 Q C 2.076 178.156 176.000 0.132 0.000 0.978 147 Q CA 2.023 57.880 55.803 0.090 0.000 0.844 147 Q CB -0.340 28.462 28.738 0.106 0.000 0.898 147 Q HN 0.695 nan 8.270 nan 0.000 0.426 148 E N -0.811 119.462 120.200 0.121 0.000 2.274 148 E HA -0.089 4.260 4.350 -0.002 0.000 0.194 148 E C 1.744 178.362 176.600 0.029 0.000 0.996 148 E CA 0.548 56.994 56.400 0.077 0.000 0.840 148 E CB -0.100 29.639 29.700 0.066 0.000 0.772 148 E HN 0.500 nan 8.360 nan 0.000 0.491 149 A N 1.358 124.188 122.820 0.017 0.000 1.902 149 A HA -0.239 4.080 4.320 -0.002 0.000 0.217 149 A C 2.074 179.655 177.584 -0.005 0.000 1.181 149 A CA 1.671 53.678 52.037 -0.049 0.000 0.623 149 A CB -0.691 18.084 19.000 -0.376 0.000 0.818 149 A HN 0.368 nan 8.150 nan 0.000 0.443 150 H N 0.248 119.284 119.070 -0.056 0.000 2.299 150 H HA -0.128 4.427 4.556 -0.002 0.000 0.302 150 H C 1.379 176.684 175.328 -0.038 0.000 1.078 150 H CA 1.956 57.991 56.048 -0.021 0.000 1.323 150 H CB -0.298 29.464 29.762 0.001 0.000 1.381 150 H HN 0.381 nan 8.280 nan 0.000 0.498 151 D N 0.688 121.183 120.400 0.158 0.000 2.084 151 D HA -0.144 4.495 4.640 -0.002 0.000 0.194 151 D C 2.411 178.605 176.300 -0.178 0.000 0.990 151 D CA 1.018 55.051 54.000 0.054 0.000 0.826 151 D CB -0.207 40.680 40.800 0.145 0.000 0.971 151 D HN 0.333 nan 8.370 nan 0.000 0.453 152 M N 0.451 119.895 119.600 -0.261 0.000 2.296 152 M HA 0.033 4.513 4.480 -0.002 0.000 0.265 152 M C 2.191 178.195 176.300 -0.493 0.000 1.064 152 M CA 0.537 55.637 55.300 -0.333 0.000 1.109 152 M CB -1.064 31.402 32.600 -0.222 0.000 1.396 152 M HN -0.025 nan 8.290 nan 0.000 0.430 153 A N 0.258 122.700 122.820 -0.631 0.000 1.902 153 A HA -0.145 4.174 4.320 -0.002 0.000 0.217 153 A C 2.220 179.748 177.584 -0.093 0.000 1.181 153 A CA 1.307 53.096 52.037 -0.414 0.000 0.623 153 A CB -0.803 18.092 19.000 -0.176 0.000 0.818 153 A HN 0.411 nan 8.150 nan 0.000 0.443 154 L N -0.095 121.007 121.223 -0.202 0.000 2.027 154 L HA -0.073 4.266 4.340 -0.002 0.000 0.206 154 L C 2.380 179.139 176.870 -0.185 0.000 1.074 154 L CA 1.836 56.571 54.840 -0.174 0.000 0.745 154 L CB -0.606 41.325 42.059 -0.214 0.000 0.898 154 L HN 0.141 nan 8.230 nan 0.000 0.433 155 V N 0.294 120.093 119.914 -0.192 0.000 2.332 155 V HA -0.325 3.794 4.120 -0.002 0.000 0.248 155 V C 2.830 178.693 176.094 -0.385 0.000 1.055 155 V CA 1.669 63.846 62.300 -0.205 0.000 1.038 155 V CB -1.456 30.293 31.823 -0.125 0.000 0.651 155 V HN 0.622 nan 8.190 nan 0.000 0.450 156 A N -0.717 121.872 122.820 -0.386 0.000 1.883 156 A HA -0.297 4.022 4.320 -0.002 0.000 0.217 156 A C 2.009 179.154 177.584 -0.731 0.000 1.186 156 A CA 2.427 54.078 52.037 -0.643 0.000 0.624 156 A CB -0.867 17.970 19.000 -0.273 0.000 0.822 156 A HN 0.686 nan 8.150 nan 0.000 0.444 157 H N -0.408 118.419 119.070 -0.404 0.000 2.321 157 H HA 0.003 4.558 4.556 -0.002 0.000 0.300 157 H C 1.975 177.030 175.328 -0.455 0.000 1.087 157 H CA 1.866 57.709 56.048 -0.343 0.000 1.319 157 H CB -0.208 29.428 29.762 -0.210 0.000 1.379 157 H HN 0.382 nan 8.280 nan 0.000 0.501 158 L N -0.325 120.636 121.223 -0.437 0.000 2.046 158 L HA -0.177 4.162 4.340 -0.002 0.000 0.208 158 L C 2.704 179.071 176.870 -0.838 0.000 1.077 158 L CA 1.012 55.400 54.840 -0.752 0.000 0.747 158 L CB -0.492 40.855 42.059 -1.186 0.000 0.896 158 L HN 0.338 nan 8.230 nan 0.000 0.432 159 A N -0.122 122.243 122.820 -0.758 0.000 1.930 159 A HA -0.083 4.236 4.320 -0.002 0.000 0.217 159 A C 2.534 179.868 177.584 -0.416 0.000 1.175 159 A CA 1.495 53.239 52.037 -0.488 0.000 0.627 159 A CB -0.614 18.045 19.000 -0.568 0.000 0.815 159 A HN 0.383 nan 8.150 nan 0.000 0.443 160 A N 0.174 122.633 122.820 -0.602 0.000 1.877 160 A HA -0.083 4.236 4.320 -0.002 0.000 0.216 160 A C 2.101 179.550 177.584 -0.224 0.000 1.186 160 A CA 1.503 53.372 52.037 -0.280 0.000 0.620 160 A CB -0.620 18.203 19.000 -0.294 0.000 0.822 160 A HN 0.487 nan 8.150 nan 0.000 0.443 161 I N -0.695 119.717 120.570 -0.265 0.000 2.163 161 I HA -0.282 3.887 4.170 -0.002 0.000 0.243 161 I C 2.617 178.667 176.117 -0.111 0.000 1.085 161 I CA 2.019 63.187 61.300 -0.220 0.000 1.347 161 I CB -0.300 37.588 38.000 -0.186 0.000 1.044 161 I HN 0.538 nan 8.210 nan 0.000 0.408 162 E N 0.647 120.809 120.200 -0.064 0.000 2.107 162 E HA -0.189 4.160 4.350 -0.002 0.000 0.191 162 E C 2.224 178.860 176.600 0.060 0.000 0.982 162 E CA 1.431 57.858 56.400 0.045 0.000 0.809 162 E CB 0.102 29.900 29.700 0.164 0.000 0.756 162 E HN 0.505 nan 8.360 nan 0.000 0.459 163 S N -0.366 115.361 115.700 0.045 0.000 2.446 163 S HA -0.020 4.449 4.470 -0.002 0.000 0.225 163 S C 0.747 175.389 174.600 0.070 0.000 1.016 163 S CA 0.788 59.034 58.200 0.076 0.000 0.943 163 S CB -0.186 63.070 63.200 0.094 0.000 0.786 163 S HN 0.476 nan 8.310 nan 0.000 0.508 164 N N -0.616 118.070 118.700 -0.022 0.000 2.850 164 N HA -0.117 4.622 4.740 -0.002 0.000 0.249 164 N C -1.191 174.203 175.510 -0.195 0.000 1.060 164 N CA 0.715 53.704 53.050 -0.102 0.000 0.825 164 N CB -1.471 36.967 38.487 -0.081 0.000 1.132 164 N HN 0.350 nan 8.380 nan 0.000 0.564 165 V N 1.232 121.033 119.914 -0.187 0.000 2.417 165 V HA 0.456 4.575 4.120 -0.002 0.000 0.291 165 V C -1.844 174.074 176.094 -0.294 0.000 1.024 165 V CA -1.516 60.576 62.300 -0.346 0.000 0.861 165 V CB 1.722 33.240 31.823 -0.508 0.000 0.985 165 V HN -0.061 nan 8.190 nan 0.000 0.436 166 P HA 0.210 nan 4.420 nan 0.000 0.271 166 P C -1.157 175.735 177.300 -0.681 0.000 1.218 166 P CA -0.032 62.615 63.100 -0.754 0.000 0.780 166 P CB 0.683 31.479 31.700 -1.508 0.000 0.901 167 F N 1.337 120.960 119.950 -0.545 0.000 2.508 167 F HA 0.499 5.025 4.527 -0.002 0.000 0.325 167 F C 0.823 176.627 175.800 0.006 0.000 1.090 167 F CA -0.877 56.989 58.000 -0.224 0.000 0.945 167 F CB 1.987 40.869 39.000 -0.196 0.000 1.156 167 F HN 0.167 nan 8.300 nan 0.000 0.463 168 M N 4.776 124.546 119.600 0.284 0.000 2.036 168 M HA 0.328 4.807 4.480 -0.002 0.000 0.337 168 M C -1.612 174.913 176.300 0.376 0.000 1.012 168 M CA -0.605 54.873 55.300 0.297 0.000 0.962 168 M CB 0.376 33.091 32.600 0.192 0.000 1.423 168 M HN 0.706 nan 8.290 nan 0.000 0.405 169 H N 6.369 125.577 119.070 0.231 0.000 2.652 169 H HA 0.517 5.072 4.556 -0.002 0.000 0.298 169 H C -1.880 173.698 175.328 0.417 0.000 1.076 169 H CA -0.426 55.787 56.048 0.275 0.000 1.360 169 H CB 0.346 30.245 29.762 0.230 0.000 1.421 169 H HN 0.601 nan 8.280 nan 0.000 0.464 170 F N 4.431 124.299 119.950 -0.138 0.000 2.593 170 F HA 0.722 5.248 4.527 -0.002 0.000 0.320 170 F C -1.847 173.939 175.800 -0.023 0.000 1.060 170 F CA -1.481 56.397 58.000 -0.204 0.000 0.940 170 F CB 1.325 40.206 39.000 -0.198 0.000 1.268 170 F HN 0.373 nan 8.300 nan 0.000 0.475 171 F N -1.141 118.795 119.950 -0.024 0.000 2.654 171 F HA 0.488 5.014 4.527 -0.002 0.000 0.308 171 F C -1.288 174.616 175.800 0.173 0.000 1.108 171 F CA -1.474 56.534 58.000 0.012 0.000 0.957 171 F CB 0.844 39.844 39.000 -0.001 0.000 1.309 171 F HN 0.337 nan 8.300 nan 0.000 0.446 172 D N 1.826 122.435 120.400 0.349 0.000 2.487 172 D HA 0.258 4.897 4.640 -0.002 0.000 0.243 172 D C 0.562 176.995 176.300 0.222 0.000 1.154 172 D CA 0.605 54.778 54.000 0.287 0.000 0.876 172 D CB 1.136 42.120 40.800 0.307 0.000 1.161 172 D HN 0.991 nan 8.370 nan 0.000 0.478 173 G N 1.603 110.486 108.800 0.139 0.000 2.272 173 G HA2 0.190 4.149 3.960 -0.002 0.000 0.247 173 G HA3 0.190 4.149 3.960 -0.002 0.000 0.247 173 G C 0.485 175.566 174.900 0.302 0.000 1.272 173 G CA -0.176 44.978 45.100 0.090 0.000 0.921 173 G HN 0.501 nan 8.290 nan 0.000 0.495 174 F N 0.325 120.380 119.950 0.175 0.000 2.560 174 F HA -0.344 4.182 4.527 -0.002 0.000 0.695 174 F C 2.370 178.458 175.800 0.480 0.000 0.486 174 F CA 2.282 60.430 58.000 0.247 0.000 0.722 174 F CB -1.101 38.047 39.000 0.247 0.000 1.608 174 F HN 0.536 nan 8.300 nan 0.000 0.266 175 R N 0.471 121.319 120.500 0.580 0.000 2.139 175 R HA -0.093 4.246 4.340 -0.002 0.000 0.243 175 R C 1.664 178.169 176.300 0.340 0.000 1.145 175 R CA 2.586 58.906 56.100 0.367 0.000 0.976 175 R CB -0.759 29.676 30.300 0.224 0.000 0.866 175 R HN 0.637 nan 8.270 nan 0.000 0.449 176 T N -2.073 112.712 114.554 0.385 0.000 3.075 176 T HA 0.029 4.378 4.350 -0.002 0.000 0.251 176 T C 1.507 176.458 174.700 0.418 0.000 0.979 176 T CA 0.487 62.804 62.100 0.361 0.000 1.033 176 T CB 0.026 69.121 68.868 0.378 0.000 1.104 176 T HN 0.383 nan 8.240 nan 0.000 0.473 177 S N 1.564 117.587 115.700 0.537 0.000 2.382 177 S HA -0.171 4.298 4.470 -0.002 0.000 0.228 177 S C 1.451 176.287 174.600 0.393 0.000 1.027 177 S CA 1.413 59.950 58.200 0.563 0.000 0.991 177 S CB -0.478 62.987 63.200 0.441 0.000 0.823 177 S HN 0.539 nan 8.310 nan 0.000 0.469 178 H N 0.799 119.994 119.070 0.209 0.000 2.594 178 H HA 0.483 5.038 4.556 -0.002 0.000 0.279 178 H C 0.153 175.645 175.328 0.274 0.000 1.042 178 H CA -0.290 55.884 56.048 0.209 0.000 1.177 178 H CB 0.123 30.025 29.762 0.233 0.000 1.524 178 H HN 0.662 nan 8.280 nan 0.000 0.537 179 E N 1.243 121.681 120.200 0.397 0.000 2.283 179 E HA 0.244 4.594 4.350 -0.002 0.000 0.278 179 E C -0.588 176.125 176.600 0.188 0.000 1.027 179 E CA -0.437 56.160 56.400 0.329 0.000 0.843 179 E CB 0.755 30.629 29.700 0.291 0.000 1.062 179 E HN 0.221 nan 8.360 nan 0.000 0.401 180 I N 3.983 124.633 120.570 0.133 0.000 2.359 180 I HA 0.246 4.415 4.170 -0.002 0.000 0.294 180 I C 0.092 176.240 176.117 0.050 0.000 0.987 180 I CA -0.569 60.785 61.300 0.091 0.000 1.225 180 I CB 1.332 39.392 38.000 0.100 0.000 1.366 180 I HN 0.461 nan 8.210 nan 0.000 0.466 181 Q N 4.641 124.473 119.800 0.054 0.000 2.418 181 Q HA 0.307 4.646 4.340 -0.002 0.000 0.282 181 Q C -1.100 174.936 176.000 0.059 0.000 1.044 181 Q CA -0.960 54.876 55.803 0.055 0.000 0.813 181 Q CB 3.267 32.045 28.738 0.067 0.000 1.428 181 Q HN 0.492 nan 8.270 nan 0.000 0.402 182 K N 3.091 123.541 120.400 0.084 0.000 2.285 182 K HA 0.450 4.769 4.320 -0.002 0.000 0.286 182 K C -0.227 176.412 176.600 0.065 0.000 1.072 182 K CA 0.033 56.351 56.287 0.052 0.000 0.913 182 K CB 0.071 32.583 32.500 0.021 0.000 1.067 182 K HN 0.620 nan 8.250 nan 0.000 0.479 183 I N -0.545 120.029 120.570 0.008 0.000 3.322 183 I HA 0.521 4.690 4.170 -0.002 0.000 0.313 183 I C -1.268 174.801 176.117 -0.080 0.000 1.129 183 I CA -1.096 60.198 61.300 -0.010 0.000 0.963 183 I CB 2.030 40.012 38.000 -0.029 0.000 1.273 183 I HN 0.585 nan 8.210 nan 0.000 0.473 184 E N 1.891 122.017 120.200 -0.123 0.000 2.187 184 E HA 0.614 4.963 4.350 -0.002 0.000 0.268 184 E C -1.446 174.925 176.600 -0.382 0.000 0.896 184 E CA -0.854 55.441 56.400 -0.175 0.000 0.766 184 E CB 2.270 31.912 29.700 -0.098 0.000 1.142 184 E HN 0.663 nan 8.360 nan 0.000 0.408 185 V N 1.926 121.609 119.914 -0.383 0.000 2.864 185 V HA 0.604 4.723 4.120 -0.002 0.000 0.314 185 V C -0.586 175.441 176.094 -0.111 0.000 1.073 185 V CA -1.001 60.967 62.300 -0.552 0.000 0.956 185 V CB 1.460 32.930 31.823 -0.587 0.000 1.023 185 V HN 0.668 nan 8.190 nan 0.000 0.435 186 L N 2.380 123.745 121.223 0.237 0.000 2.360 186 L HA 0.538 4.877 4.340 -0.002 0.000 0.271 186 L C -0.036 177.048 176.870 0.357 0.000 1.057 186 L CA -0.651 54.347 54.840 0.263 0.000 0.803 186 L CB 1.511 43.740 42.059 0.284 0.000 1.207 186 L HN 0.994 nan 8.230 nan 0.000 0.445 187 D N -0.637 119.889 120.400 0.211 0.000 2.358 187 D HA 0.002 4.641 4.640 -0.002 0.000 0.244 187 D C 0.622 177.089 176.300 0.278 0.000 1.163 187 D CA -0.262 53.849 54.000 0.184 0.000 0.945 187 D CB 0.540 41.373 40.800 0.054 0.000 1.152 187 D HN 0.264 nan 8.370 nan 0.000 0.451 188 Y N 0.034 120.311 120.300 -0.039 0.000 2.274 188 Y HA -0.059 4.490 4.550 -0.002 0.000 0.290 188 Y C 2.584 178.440 175.900 -0.073 0.000 1.145 188 Y CA 0.811 58.861 58.100 -0.084 0.000 1.203 188 Y CB -1.329 37.065 38.460 -0.110 0.000 0.984 188 Y HN 0.605 nan 8.280 nan 0.000 0.533 189 A N 0.216 123.102 122.820 0.111 0.000 1.933 189 A HA -0.199 4.120 4.320 -0.002 0.000 0.218 189 A C 1.927 179.525 177.584 0.024 0.000 1.175 189 A CA 2.028 54.088 52.037 0.039 0.000 0.628 189 A CB -0.749 18.267 19.000 0.027 0.000 0.814 189 A HN 0.346 nan 8.150 nan 0.000 0.444 190 D N -0.542 119.887 120.400 0.048 0.000 2.117 190 D HA -0.122 4.517 4.640 -0.002 0.000 0.197 190 D C 2.034 178.347 176.300 0.022 0.000 0.987 190 D CA 1.378 55.404 54.000 0.043 0.000 0.829 190 D CB -0.301 40.541 40.800 0.069 0.000 0.961 190 D HN 0.476 nan 8.370 nan 0.000 0.460 191 M N 0.260 119.864 119.600 0.007 0.000 2.086 191 M HA -0.116 4.363 4.480 -0.002 0.000 0.261 191 M C 2.303 178.543 176.300 -0.100 0.000 1.067 191 M CA 1.446 56.710 55.300 -0.061 0.000 1.116 191 M CB -0.255 32.263 32.600 -0.137 0.000 1.348 191 M HN 0.015 nan 8.290 nan 0.000 0.407 192 A N 0.401 123.152 122.820 -0.115 0.000 1.978 192 A HA -0.171 4.148 4.320 -0.002 0.000 0.220 192 A C 2.244 179.778 177.584 -0.084 0.000 1.170 192 A CA 2.099 54.046 52.037 -0.150 0.000 0.636 192 A CB -0.954 17.946 19.000 -0.165 0.000 0.810 192 A HN 0.616 nan 8.150 nan 0.000 0.448 193 S N -1.089 114.588 115.700 -0.039 0.000 2.474 193 S HA -0.019 4.450 4.470 -0.002 0.000 0.235 193 S C 1.355 175.964 174.600 0.015 0.000 0.997 193 S CA 1.276 59.472 58.200 -0.008 0.000 0.949 193 S CB -0.269 62.936 63.200 0.008 0.000 0.766 193 S HN 0.220 nan 8.310 nan 0.000 0.517 194 L N 1.492 122.725 121.223 0.017 0.000 2.529 194 L HA 0.398 4.737 4.340 -0.002 0.000 0.223 194 L C 0.452 177.374 176.870 0.087 0.000 1.113 194 L CA 0.082 54.971 54.840 0.082 0.000 0.861 194 L CB -0.310 41.810 42.059 0.102 0.000 1.012 194 L HN 0.157 nan 8.230 nan 0.000 0.461 195 V N 1.281 121.190 119.914 -0.008 0.000 2.673 195 V HA -0.029 4.090 4.120 -0.002 0.000 0.303 195 V C 0.814 176.936 176.094 0.046 0.000 1.046 195 V CA -0.283 62.001 62.300 -0.027 0.000 1.126 195 V CB 0.482 32.264 31.823 -0.069 0.000 0.934 195 V HN 0.333 nan 8.190 nan 0.000 0.487 196 N N 4.756 123.499 118.700 0.072 0.000 2.415 196 N HA 0.052 4.791 4.740 -0.002 0.000 0.250 196 N C 1.030 176.584 175.510 0.074 0.000 1.127 196 N CA -0.158 52.951 53.050 0.097 0.000 0.945 196 N CB 1.198 39.763 38.487 0.131 0.000 1.196 196 N HN 0.590 nan 8.380 nan 0.000 0.499 197 Q N 2.909 122.749 119.800 0.067 0.000 2.135 197 Q HA -0.191 4.148 4.340 -0.002 0.000 0.204 197 Q C 1.516 177.563 176.000 0.078 0.000 0.981 197 Q CA 1.274 57.121 55.803 0.073 0.000 0.856 197 Q CB -0.086 28.688 28.738 0.060 0.000 0.902 197 Q HN 0.670 nan 8.270 nan 0.000 0.425 198 K N 0.383 120.823 120.400 0.066 0.000 2.026 198 K HA -0.103 4.216 4.320 -0.002 0.000 0.208 198 K C 1.995 178.642 176.600 0.078 0.000 1.048 198 K CA 1.249 57.573 56.287 0.063 0.000 0.929 198 K CB -0.056 32.474 32.500 0.051 0.000 0.713 198 K HN 0.118 nan 8.250 nan 0.000 0.439 199 A N 1.429 124.299 122.820 0.083 0.000 1.902 199 A HA -0.146 4.173 4.320 -0.002 0.000 0.217 199 A C 2.054 179.715 177.584 0.129 0.000 1.181 199 A CA 1.304 53.398 52.037 0.095 0.000 0.623 199 A CB -0.587 18.459 19.000 0.077 0.000 0.818 199 A HN 0.407 nan 8.150 nan 0.000 0.443 200 L N -0.225 121.076 121.223 0.130 0.000 2.046 200 L HA -0.058 4.281 4.340 -0.002 0.000 0.208 200 L C 2.623 179.618 176.870 0.209 0.000 1.077 200 L CA 2.194 57.150 54.840 0.194 0.000 0.747 200 L CB -0.769 41.403 42.059 0.188 0.000 0.896 200 L HN 0.332 nan 8.230 nan 0.000 0.432 201 A N -0.830 122.071 122.820 0.136 0.000 1.898 201 A HA -0.204 4.115 4.320 -0.002 0.000 0.216 201 A C 2.155 179.787 177.584 0.079 0.000 1.181 201 A CA 1.691 53.783 52.037 0.092 0.000 0.620 201 A CB -0.604 18.434 19.000 0.065 0.000 0.819 201 A HN 0.605 nan 8.150 nan 0.000 0.442 202 E N -1.309 118.950 120.200 0.099 0.000 2.110 202 E HA -0.171 4.178 4.350 -0.002 0.000 0.193 202 E C 1.725 178.397 176.600 0.119 0.000 0.988 202 E CA 1.212 57.663 56.400 0.087 0.000 0.804 202 E CB -0.280 29.477 29.700 0.094 0.000 0.745 202 E HN 0.694 nan 8.360 nan 0.000 0.458 203 F N 2.320 122.281 119.950 0.017 0.000 2.095 203 F HA -0.192 4.334 4.527 -0.002 0.000 0.298 203 F C 2.071 177.880 175.800 0.015 0.000 1.104 203 F CA 1.456 59.463 58.000 0.012 0.000 1.232 203 F CB -0.021 38.986 39.000 0.012 0.000 0.987 203 F HN -0.169 nan 8.300 nan 0.000 0.475 204 R N 0.925 121.303 120.500 -0.203 0.000 2.083 204 R HA -0.104 4.235 4.340 -0.002 0.000 0.237 204 R C 2.435 178.632 176.300 -0.172 0.000 1.137 204 R CA 1.410 57.333 56.100 -0.295 0.000 0.951 204 R CB -1.826 28.409 30.300 -0.108 0.000 0.851 204 R HN 0.435 nan 8.270 nan 0.000 0.434 205 A N 2.311 125.078 122.820 -0.087 0.000 1.972 205 A HA -0.193 4.126 4.320 -0.002 0.000 0.219 205 A C 2.025 179.580 177.584 -0.047 0.000 1.169 205 A CA 1.823 53.811 52.037 -0.082 0.000 0.635 205 A CB -0.322 18.631 19.000 -0.079 0.000 0.810 205 A HN 0.489 nan 8.150 nan 0.000 0.446 206 K N -0.530 119.845 120.400 -0.042 0.000 2.426 206 K HA 0.198 4.517 4.320 -0.002 0.000 0.193 206 K C 0.282 176.880 176.600 -0.003 0.000 1.028 206 K CA 0.420 56.693 56.287 -0.023 0.000 1.047 206 K CB 0.031 32.516 32.500 -0.026 0.000 0.821 206 K HN 0.211 nan 8.250 nan 0.000 0.513 207 S N 1.576 117.236 115.700 -0.067 0.000 2.593 207 S HA 0.164 4.633 4.470 -0.002 0.000 0.269 207 S C 0.232 174.836 174.600 0.006 0.000 1.334 207 S CA -0.614 57.526 58.200 -0.099 0.000 1.015 207 S CB 0.464 63.482 63.200 -0.305 0.000 0.912 207 S HN 0.210 nan 8.310 nan 0.000 0.541 208 M N 3.179 122.763 119.600 -0.026 0.000 2.251 208 M HA 0.060 4.539 4.480 -0.002 0.000 0.343 208 M C 0.362 176.588 176.300 -0.123 0.000 1.245 208 M CA 0.864 56.141 55.300 -0.037 0.000 1.061 208 M CB -0.154 32.418 32.600 -0.046 0.000 1.723 208 M HN 0.547 nan 8.290 nan 0.000 0.449 209 N N 4.088 122.657 118.700 -0.218 0.000 3.186 209 N HA 0.141 4.880 4.740 -0.002 0.000 0.230 209 N C -2.579 172.700 175.510 -0.384 0.000 1.062 209 N CA -0.838 52.003 53.050 -0.348 0.000 1.084 209 N CB 1.947 40.102 38.487 -0.553 0.000 1.662 209 N HN 0.227 nan 8.380 nan 0.000 0.627 210 P HA -0.073 nan 4.420 nan 0.000 0.228 210 P C 0.532 177.720 177.300 -0.185 0.000 1.151 210 P CA 1.002 63.992 63.100 -0.183 0.000 0.770 210 P CB 0.554 32.182 31.700 -0.120 0.000 0.786 211 E N -0.030 120.028 120.200 -0.237 0.000 2.285 211 E HA -0.096 4.253 4.350 -0.002 0.000 0.194 211 E C 0.847 177.414 176.600 -0.054 0.000 0.997 211 E CA 0.897 57.227 56.400 -0.116 0.000 0.845 211 E CB -0.331 29.348 29.700 -0.035 0.000 0.782 211 E HN 0.698 nan 8.360 nan 0.000 0.491 212 H N -1.623 117.394 119.070 -0.088 0.000 2.696 212 H HA 0.295 4.850 4.556 -0.002 0.000 0.221 212 H C -2.836 172.318 175.328 -0.290 0.000 1.399 212 H CA -1.772 54.191 56.048 -0.141 0.000 1.408 212 H CB 0.057 29.788 29.762 -0.051 0.000 1.853 212 H HN -0.120 nan 8.280 nan 0.000 0.546 213 P HA 0.178 nan 4.420 nan 0.000 0.272 213 P C -0.319 176.622 177.300 -0.598 0.000 1.223 213 P CA 0.384 63.281 63.100 -0.338 0.000 0.784 213 P CB 1.616 33.200 31.700 -0.193 0.000 0.923 214 H N -1.197 117.873 119.070 -0.001 0.000 2.990 214 H HA 0.376 4.931 4.556 -0.002 0.000 0.343 214 H C -0.877 174.454 175.328 0.004 0.000 1.270 214 H CA -0.753 55.303 56.048 0.013 0.000 1.118 214 H CB 1.733 31.512 29.762 0.028 0.000 1.861 214 H HN 0.080 nan 8.280 nan 0.000 0.544 215 V N 2.566 122.567 119.914 0.146 0.000 2.417 215 V HA 0.392 4.511 4.120 -0.002 0.000 0.291 215 V C 0.203 176.345 176.094 0.080 0.000 1.024 215 V CA -0.710 61.638 62.300 0.081 0.000 0.861 215 V CB 1.531 33.389 31.823 0.057 0.000 0.985 215 V HN 0.644 nan 8.190 nan 0.000 0.436 216 R N 2.992 123.531 120.500 0.065 0.000 2.807 216 R HA 0.764 5.103 4.340 -0.002 0.000 0.276 216 R C 0.343 176.684 176.300 0.068 0.000 0.979 216 R CA -0.170 55.971 56.100 0.067 0.000 0.928 216 R CB 1.888 32.231 30.300 0.073 0.000 1.191 216 R HN 1.096 nan 8.270 nan 0.000 0.471 217 G N 1.497 110.345 108.800 0.080 0.000 2.248 217 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.263 217 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.263 217 G C 0.084 175.024 174.900 0.067 0.000 1.082 217 G CA 0.323 45.474 45.100 0.084 0.000 0.863 217 G HN 1.078 nan 8.290 nan 0.000 0.495 218 T N -2.146 112.448 114.554 0.067 0.000 2.754 218 T HA 0.742 5.092 4.350 -0.002 0.000 0.286 218 T C 0.597 175.337 174.700 0.067 0.000 0.997 218 T CA 0.412 62.548 62.100 0.060 0.000 0.982 218 T CB 2.027 70.931 68.868 0.060 0.000 1.027 218 T HN 1.841 nan 8.240 nan 0.000 0.529 219 A N 1.194 124.047 122.820 0.056 0.000 2.304 219 A HA 0.602 4.921 4.320 -0.002 0.000 0.323 219 A C -0.208 177.415 177.584 0.065 0.000 1.195 219 A CA -0.878 51.189 52.037 0.050 0.000 0.826 219 A CB 0.721 19.736 19.000 0.025 0.000 1.184 219 A HN 0.836 nan 8.150 nan 0.000 0.496 220 Q N 1.860 121.715 119.800 0.091 0.000 2.365 220 Q HA 0.330 4.669 4.340 -0.002 0.000 0.269 220 Q C -0.715 175.334 176.000 0.082 0.000 1.061 220 Q CA -1.101 54.772 55.803 0.117 0.000 0.816 220 Q CB 1.977 30.841 28.738 0.210 0.000 1.325 220 Q HN 0.796 nan 8.270 nan 0.000 0.446 221 N N 1.453 120.197 118.700 0.072 0.000 2.364 221 N HA 0.163 4.902 4.740 -0.002 0.000 0.264 221 N C -1.805 173.753 175.510 0.080 0.000 1.263 221 N CA -1.506 51.572 53.050 0.047 0.000 0.959 221 N CB 0.029 38.538 38.487 0.038 0.000 1.204 221 N HN 0.295 nan 8.380 nan 0.000 0.550 222 P HA -0.107 nan 4.420 nan 0.000 0.220 222 P C 0.472 177.843 177.300 0.118 0.000 1.148 222 P CA 1.077 64.228 63.100 0.086 0.000 0.803 222 P CB 0.103 31.833 31.700 0.049 0.000 0.782 223 D N 0.207 120.660 120.400 0.089 0.000 2.182 223 D HA -0.175 4.464 4.640 -0.002 0.000 0.201 223 D C 1.620 177.976 176.300 0.094 0.000 0.986 223 D CA 1.391 55.439 54.000 0.080 0.000 0.847 223 D CB -1.006 39.827 40.800 0.055 0.000 0.942 223 D HN 0.365 nan 8.370 nan 0.000 0.467 224 I N -5.220 115.422 120.570 0.120 0.000 4.557 224 I HA 0.289 4.458 4.170 -0.002 0.000 0.333 224 I C 1.740 177.951 176.117 0.155 0.000 1.332 224 I CA -0.720 60.648 61.300 0.113 0.000 1.240 224 I CB -0.091 37.956 38.000 0.078 0.000 1.312 224 I HN -0.189 nan 8.210 nan 0.000 0.457 225 Y N 2.124 122.477 120.300 0.088 0.000 2.081 225 Y HA -0.272 4.277 4.550 -0.002 0.000 0.280 225 Y C 2.268 178.268 175.900 0.165 0.000 1.163 225 Y CA 2.550 60.705 58.100 0.092 0.000 1.135 225 Y CB -0.457 38.035 38.460 0.054 0.000 0.970 225 Y HN 0.270 nan 8.280 nan 0.000 0.498 226 F N 0.534 120.520 119.950 0.059 0.000 2.065 226 F HA -0.406 4.120 4.527 -0.002 0.000 0.298 226 F C 2.275 178.017 175.800 -0.097 0.000 1.112 226 F CA 1.652 59.637 58.000 -0.025 0.000 1.212 226 F CB -0.143 38.891 39.000 0.057 0.000 0.975 226 F HN 0.183 nan 8.300 nan 0.000 0.476 227 Q N 0.244 120.101 119.800 0.095 0.000 2.096 227 Q HA -0.153 4.186 4.340 -0.002 0.000 0.204 227 Q C 2.336 178.325 176.000 -0.018 0.000 0.982 227 Q CA 1.707 57.491 55.803 -0.031 0.000 0.850 227 Q CB -1.025 27.691 28.738 -0.038 0.000 0.901 227 Q HN 0.552 nan 8.270 nan 0.000 0.422 228 G N 0.221 108.996 108.800 -0.041 0.000 2.432 228 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.219 228 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.219 228 G C 1.544 176.371 174.900 -0.121 0.000 1.135 228 G CA 0.765 45.818 45.100 -0.078 0.000 0.767 228 G HN 0.163 nan 8.290 nan 0.000 0.550 229 R N 0.462 120.841 120.500 -0.202 0.000 2.148 229 R HA 0.051 4.390 4.340 -0.002 0.000 0.223 229 R C 2.134 178.416 176.300 -0.031 0.000 1.088 229 R CA 0.966 56.957 56.100 -0.183 0.000 0.985 229 R CB -0.075 30.053 30.300 -0.286 0.000 0.880 229 R HN 0.227 nan 8.270 nan 0.000 0.451 230 E N -0.400 119.818 120.200 0.030 0.000 2.442 230 E HA 0.056 4.405 4.350 -0.002 0.000 0.195 230 E C 1.532 178.157 176.600 0.042 0.000 1.030 230 E CA 0.705 57.133 56.400 0.046 0.000 0.869 230 E CB 0.283 30.006 29.700 0.039 0.000 0.857 230 E HN 0.391 nan 8.360 nan 0.000 0.505 231 A N 1.328 124.169 122.820 0.036 0.000 2.070 231 A HA -0.052 4.267 4.320 -0.002 0.000 0.220 231 A C 2.245 179.916 177.584 0.144 0.000 1.159 231 A CA 1.526 53.603 52.037 0.066 0.000 0.656 231 A CB -0.216 18.811 19.000 0.045 0.000 0.800 231 A HN 0.212 nan 8.150 nan 0.000 0.453 232 A N -0.288 122.627 122.820 0.158 0.000 2.208 232 A HA 0.023 4.342 4.320 -0.002 0.000 0.209 232 A C 1.587 179.411 177.584 0.400 0.000 1.161 232 A CA 0.804 53.022 52.037 0.301 0.000 0.782 232 A CB -0.478 18.670 19.000 0.248 0.000 0.816 232 A HN 0.492 nan 8.150 nan 0.000 0.477 233 N N 1.184 120.023 118.700 0.231 0.000 2.069 233 N HA -0.172 4.567 4.740 -0.002 0.000 0.196 233 N C -0.906 174.721 175.510 0.196 0.000 1.024 233 N CA 2.101 55.265 53.050 0.189 0.000 0.869 233 N CB -1.693 36.848 38.487 0.091 0.000 1.035 233 N HN 0.332 nan 8.380 nan 0.000 0.434 234 P HA -0.111 nan 4.420 nan 0.000 0.216 234 P C 1.099 178.345 177.300 -0.091 0.000 1.150 234 P CA 1.123 64.205 63.100 -0.030 0.000 0.837 234 P CB -0.137 31.477 31.700 -0.143 0.000 0.786 235 Y N -2.601 117.733 120.300 0.057 0.000 2.200 235 Y HA -0.190 4.359 4.550 -0.002 0.000 0.290 235 Y C 2.310 178.157 175.900 -0.089 0.000 1.137 235 Y CA 1.360 59.441 58.100 -0.032 0.000 1.163 235 Y CB -1.282 37.127 38.460 -0.084 0.000 0.988 235 Y HN -0.022 nan 8.280 nan 0.000 0.518 236 Y N -0.688 119.690 120.300 0.130 0.000 2.373 236 Y HA -0.153 4.396 4.550 -0.002 0.000 0.293 236 Y C 2.141 178.062 175.900 0.034 0.000 1.129 236 Y CA 0.966 59.100 58.100 0.058 0.000 1.226 236 Y CB -0.495 37.987 38.460 0.036 0.000 1.000 236 Y HN 0.081 nan 8.280 nan 0.000 0.549 237 L N -0.335 120.983 121.223 0.158 0.000 2.201 237 L HA -0.193 4.146 4.340 -0.002 0.000 0.212 237 L C 1.875 178.773 176.870 0.046 0.000 1.105 237 L CA 1.401 56.293 54.840 0.087 0.000 0.775 237 L CB -0.293 41.799 42.059 0.054 0.000 0.913 237 L HN 0.166 nan 8.230 nan 0.000 0.440 238 K N -0.943 119.468 120.400 0.018 0.000 2.356 238 K HA 0.020 4.339 4.320 -0.002 0.000 0.195 238 K C 1.988 178.604 176.600 0.028 0.000 1.037 238 K CA 0.158 56.446 56.287 0.002 0.000 1.014 238 K CB 0.334 32.807 32.500 -0.044 0.000 0.815 238 K HN 0.032 nan 8.250 nan 0.000 0.507 239 V N 2.144 122.076 119.914 0.030 0.000 2.252 239 V HA -0.221 3.898 4.120 -0.002 0.000 0.249 239 V C -0.960 175.196 176.094 0.102 0.000 1.056 239 V CA 2.016 64.353 62.300 0.062 0.000 1.022 239 V CB -1.074 30.742 31.823 -0.013 0.000 0.641 239 V HN 0.185 nan 8.190 nan 0.000 0.445 240 P HA -0.140 nan 4.420 nan 0.000 0.216 240 P C 1.678 179.021 177.300 0.072 0.000 1.153 240 P CA 1.933 65.080 63.100 0.078 0.000 0.858 240 P CB -0.352 31.387 31.700 0.066 0.000 0.789 241 G N -0.618 108.213 108.800 0.053 0.000 2.432 241 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.219 241 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.219 241 G C 1.508 176.422 174.900 0.024 0.000 1.135 241 G CA 0.446 45.565 45.100 0.032 0.000 0.767 241 G HN 0.242 nan 8.290 nan 0.000 0.550 242 I N 0.297 120.900 120.570 0.054 0.000 2.353 242 I HA -0.107 4.062 4.170 -0.002 0.000 0.248 242 I C 2.670 178.871 176.117 0.141 0.000 1.119 242 I CA 0.282 61.628 61.300 0.078 0.000 1.417 242 I CB -0.053 38.028 38.000 0.136 0.000 1.078 242 I HN 0.017 nan 8.210 nan 0.000 0.421 243 V N 1.014 121.020 119.914 0.154 0.000 2.358 243 V HA -0.260 3.859 4.120 -0.002 0.000 0.246 243 V C 2.713 178.873 176.094 0.110 0.000 1.047 243 V CA 1.945 64.341 62.300 0.161 0.000 1.035 243 V CB -0.907 31.027 31.823 0.185 0.000 0.658 243 V HN 0.474 nan 8.190 nan 0.000 0.452 244 A N -0.302 122.561 122.820 0.072 0.000 1.902 244 A HA -0.272 4.047 4.320 -0.002 0.000 0.217 244 A C 2.298 179.887 177.584 0.008 0.000 1.181 244 A CA 1.927 53.995 52.037 0.052 0.000 0.623 244 A CB -0.547 18.478 19.000 0.042 0.000 0.818 244 A HN 0.629 nan 8.150 nan 0.000 0.443 245 E N -1.151 119.012 120.200 -0.062 0.000 2.070 245 E HA -0.257 4.092 4.350 -0.002 0.000 0.197 245 E C 1.725 178.159 176.600 -0.277 0.000 1.004 245 E CA 1.780 58.053 56.400 -0.211 0.000 0.805 245 E CB -0.301 29.180 29.700 -0.365 0.000 0.744 245 E HN 0.780 nan 8.360 nan 0.000 0.451 246 Y N -0.238 120.059 120.300 -0.004 0.000 2.395 246 Y HA -0.008 4.541 4.550 -0.002 0.000 0.293 246 Y C 2.425 178.333 175.900 0.014 0.000 1.123 246 Y CA 0.670 58.761 58.100 -0.015 0.000 1.227 246 Y CB 0.055 38.478 38.460 -0.061 0.000 1.012 246 Y HN 0.059 nan 8.280 nan 0.000 0.552 247 M N -0.498 119.193 119.600 0.151 0.000 2.132 247 M HA -0.270 4.209 4.480 -0.002 0.000 0.263 247 M C 1.973 178.366 176.300 0.156 0.000 1.065 247 M CA 1.801 57.206 55.300 0.175 0.000 1.122 247 M CB -0.317 32.395 32.600 0.186 0.000 1.365 247 M HN 0.273 nan 8.290 nan 0.000 0.411 248 Q N 0.159 120.010 119.800 0.085 0.000 2.079 248 Q HA -0.123 4.216 4.340 -0.002 0.000 0.200 248 Q C 1.981 178.006 176.000 0.041 0.000 0.974 248 Q CA 1.258 57.091 55.803 0.049 0.000 0.840 248 Q CB -0.008 28.735 28.738 0.008 0.000 0.898 248 Q HN 0.448 nan 8.270 nan 0.000 0.430 249 K N -0.113 120.304 120.400 0.028 0.000 2.097 249 K HA -0.091 4.228 4.320 -0.002 0.000 0.205 249 K C 2.034 178.688 176.600 0.090 0.000 1.050 249 K CA 1.166 57.478 56.287 0.042 0.000 0.938 249 K CB 0.033 32.554 32.500 0.035 0.000 0.718 249 K HN 0.031 nan 8.250 nan 0.000 0.442 250 V N 1.311 121.302 119.914 0.128 0.000 2.427 250 V HA -0.209 3.910 4.120 -0.002 0.000 0.248 250 V C 2.318 178.486 176.094 0.123 0.000 1.051 250 V CA 1.907 64.287 62.300 0.133 0.000 1.048 250 V CB -0.583 31.332 31.823 0.152 0.000 0.666 250 V HN 0.325 nan 8.190 nan 0.000 0.456 251 A N 0.968 123.859 122.820 0.119 0.000 1.933 251 A HA -0.216 4.103 4.320 -0.002 0.000 0.218 251 A C 2.518 180.134 177.584 0.053 0.000 1.175 251 A CA 2.166 54.253 52.037 0.082 0.000 0.628 251 A CB -0.780 18.256 19.000 0.059 0.000 0.814 251 A HN 0.698 nan 8.150 nan 0.000 0.444 252 S N -0.481 115.248 115.700 0.049 0.000 2.469 252 S HA -0.027 4.442 4.470 -0.002 0.000 0.238 252 S C 1.617 176.241 174.600 0.039 0.000 0.998 252 S CA 1.454 59.675 58.200 0.035 0.000 0.957 252 S CB -0.454 62.763 63.200 0.028 0.000 0.764 252 S HN 0.482 nan 8.310 nan 0.000 0.514 253 L N 0.940 122.195 121.223 0.054 0.000 2.425 253 L HA 0.120 4.459 4.340 -0.002 0.000 0.215 253 L C 2.890 179.793 176.870 0.055 0.000 1.065 253 L CA 1.191 56.064 54.840 0.054 0.000 0.842 253 L CB -0.545 41.555 42.059 0.068 0.000 1.033 253 L HN 0.548 nan 8.230 nan 0.000 0.474 254 T N -4.352 110.243 114.554 0.067 0.000 3.040 254 T HA 0.211 4.560 4.350 -0.002 0.000 0.252 254 T C 1.526 176.249 174.700 0.038 0.000 1.064 254 T CA 0.727 62.864 62.100 0.062 0.000 1.110 254 T CB 0.722 69.649 68.868 0.099 0.000 0.921 254 T HN 0.364 nan 8.240 nan 0.000 0.480 255 G N 1.772 110.590 108.800 0.029 0.000 2.176 255 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.253 255 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.253 255 G C 0.112 174.998 174.900 -0.024 0.000 0.979 255 G CA -0.159 44.945 45.100 0.007 0.000 0.641 255 G HN 0.671 nan 8.290 nan 0.000 0.530 256 R N 1.048 121.530 120.500 -0.031 0.000 2.246 256 R HA 0.552 4.891 4.340 -0.002 0.000 0.332 256 R C -0.296 175.839 176.300 -0.275 0.000 0.974 256 R CA -0.202 55.808 56.100 -0.151 0.000 0.837 256 R CB 1.312 31.563 30.300 -0.082 0.000 1.145 256 R HN 0.182 nan 8.270 nan 0.000 0.467 257 S N 2.249 117.744 115.700 -0.342 0.000 2.616 257 S HA 0.541 5.010 4.470 -0.002 0.000 0.277 257 S C -0.920 173.379 174.600 -0.503 0.000 1.234 257 S CA -0.369 57.670 58.200 -0.267 0.000 1.028 257 S CB 0.702 63.839 63.200 -0.105 0.000 0.988 257 S HN 0.362 nan 8.310 nan 0.000 0.522 258 Y N 0.091 120.420 120.300 0.049 0.000 2.597 258 Y HA 0.532 5.081 4.550 -0.002 0.000 0.340 258 Y C 0.095 176.026 175.900 0.051 0.000 1.097 258 Y CA -1.061 57.070 58.100 0.052 0.000 1.037 258 Y CB 1.688 40.177 38.460 0.047 0.000 1.305 258 Y HN 0.408 nan 8.280 nan 0.000 0.463 259 K N 0.809 121.348 120.400 0.232 0.000 2.433 259 K HA 0.488 4.807 4.320 -0.002 0.000 0.252 259 K C 0.335 177.003 176.600 0.113 0.000 1.015 259 K CA -0.865 55.515 56.287 0.156 0.000 0.860 259 K CB 2.125 34.715 32.500 0.150 0.000 1.359 259 K HN 0.548 nan 8.250 nan 0.000 0.452 260 L N 0.365 121.631 121.223 0.072 0.000 2.079 260 L HA -0.060 4.279 4.340 -0.002 0.000 0.210 260 L C 0.163 176.844 176.870 -0.316 0.000 1.081 260 L CA 1.595 56.378 54.840 -0.094 0.000 0.752 260 L CB -0.202 41.835 42.059 -0.036 0.000 0.896 260 L HN 0.378 nan 8.230 nan 0.000 0.433 261 F N -1.097 118.902 119.950 0.081 0.000 2.561 261 F HA 0.394 4.920 4.527 -0.002 0.000 0.313 261 F C -0.353 175.518 175.800 0.119 0.000 1.126 261 F CA -1.046 57.019 58.000 0.107 0.000 0.918 261 F CB 1.695 40.747 39.000 0.088 0.000 1.199 261 F HN -0.210 nan 8.300 nan 0.000 0.444 262 D N 1.690 122.274 120.400 0.306 0.000 2.481 262 D HA 0.208 4.847 4.640 -0.002 0.000 0.244 262 D C -1.577 174.876 176.300 0.255 0.000 1.057 262 D CA -0.350 53.796 54.000 0.243 0.000 0.848 262 D CB 2.867 43.782 40.800 0.191 0.000 1.388 262 D HN 0.494 nan 8.370 nan 0.000 0.475 263 Y N 1.603 121.969 120.300 0.110 0.000 2.377 263 Y HA 0.462 5.011 4.550 -0.002 0.000 0.339 263 Y C -0.810 175.140 175.900 0.083 0.000 1.011 263 Y CA -0.629 57.526 58.100 0.093 0.000 1.093 263 Y CB 1.203 39.695 38.460 0.055 0.000 1.201 263 Y HN 0.174 nan 8.280 nan 0.000 0.455 264 V N 2.917 122.396 119.914 -0.725 0.000 2.876 264 V HA 1.070 5.189 4.120 -0.002 0.000 0.312 264 V C -0.136 175.535 176.094 -0.704 0.000 1.085 264 V CA -0.159 61.867 62.300 -0.457 0.000 0.945 264 V CB 1.058 32.774 31.823 -0.179 0.000 1.017 264 V HN 1.505 nan 8.190 nan 0.000 0.428 265 G N 1.469 110.107 108.800 -0.270 0.000 2.373 265 G HA2 0.491 4.450 3.960 -0.002 0.000 0.634 265 G HA3 0.491 4.450 3.960 -0.002 0.000 0.634 265 G C -0.038 174.934 174.900 0.120 0.000 1.267 265 G CA -0.141 44.892 45.100 -0.111 0.000 1.008 265 G HN 2.285 nan 8.290 nan 0.000 0.497 266 A N 0.465 123.366 122.820 0.136 0.000 2.548 266 A HA 0.580 4.899 4.320 -0.002 0.000 0.247 266 A C -0.517 177.210 177.584 0.238 0.000 1.067 266 A CA 0.480 52.608 52.037 0.151 0.000 0.757 266 A CB 0.065 19.118 19.000 0.088 0.000 0.996 266 A HN 0.467 nan 8.150 nan 0.000 0.504 267 P HA -0.110 nan 4.420 nan 0.000 0.220 267 P C 0.372 177.682 177.300 0.016 0.000 1.148 267 P CA 1.521 64.670 63.100 0.082 0.000 0.803 267 P CB 0.165 31.898 31.700 0.056 0.000 0.782 268 D N -1.631 118.795 120.400 0.043 0.000 2.525 268 D HA 0.191 4.830 4.640 -0.002 0.000 0.229 268 D C 0.187 176.516 176.300 0.050 0.000 1.202 268 D CA -0.580 53.437 54.000 0.028 0.000 0.828 268 D CB -0.537 40.277 40.800 0.024 0.000 1.008 268 D HN -0.052 nan 8.370 nan 0.000 0.493 269 A N 0.718 123.592 122.820 0.089 0.000 2.561 269 A HA 0.030 4.349 4.320 -0.002 0.000 0.234 269 A C 0.946 178.590 177.584 0.099 0.000 1.055 269 A CA 0.127 52.236 52.037 0.120 0.000 0.756 269 A CB 0.336 19.476 19.000 0.233 0.000 0.986 269 A HN 0.265 nan 8.150 nan 0.000 0.505 270 E N 0.827 121.084 120.200 0.095 0.000 2.447 270 E HA 0.049 4.398 4.350 -0.002 0.000 0.204 270 E C -0.053 176.618 176.600 0.119 0.000 0.977 270 E CA 0.303 56.756 56.400 0.088 0.000 0.950 270 E CB 0.403 30.142 29.700 0.065 0.000 0.975 270 E HN 0.657 nan 8.360 nan 0.000 0.496 271 R N 1.096 121.692 120.500 0.159 0.000 2.451 271 R HA 0.457 4.796 4.340 -0.002 0.000 0.307 271 R C -1.294 175.201 176.300 0.325 0.000 0.965 271 R CA -0.382 55.851 56.100 0.222 0.000 0.865 271 R CB 2.434 32.884 30.300 0.250 0.000 1.174 271 R HN -0.155 nan 8.270 nan 0.000 0.455 272 V N 4.860 124.953 119.914 0.299 0.000 2.735 272 V HA 0.528 4.647 4.120 -0.002 0.000 0.310 272 V C -0.085 176.167 176.094 0.264 0.000 1.061 272 V CA -0.801 61.706 62.300 0.344 0.000 0.913 272 V CB 2.472 34.498 31.823 0.339 0.000 1.005 272 V HN 0.620 nan 8.190 nan 0.000 0.428 273 I N 3.121 123.837 120.570 0.243 0.000 2.525 273 I HA 0.560 4.729 4.170 -0.002 0.000 0.301 273 I C -0.818 175.435 176.117 0.227 0.000 0.992 273 I CA -0.888 60.498 61.300 0.142 0.000 1.162 273 I CB 2.159 40.157 38.000 -0.004 0.000 1.332 273 I HN 0.262 nan 8.210 nan 0.000 0.458 274 V N 4.418 124.478 119.914 0.243 0.000 2.444 274 V HA 0.505 4.624 4.120 -0.002 0.000 0.294 274 V C -0.248 176.005 176.094 0.265 0.000 1.022 274 V CA -0.224 62.271 62.300 0.326 0.000 0.850 274 V CB 1.434 33.513 31.823 0.427 0.000 0.992 274 V HN 0.796 nan 8.190 nan 0.000 0.426 275 S N 4.453 120.311 115.700 0.264 0.000 2.685 275 S HA 0.885 5.354 4.470 -0.002 0.000 0.282 275 S C -1.154 173.614 174.600 0.280 0.000 1.159 275 S CA -0.648 57.686 58.200 0.223 0.000 0.833 275 S CB 1.989 65.238 63.200 0.082 0.000 1.151 275 S HN 0.742 nan 8.310 nan 0.000 0.485 276 M N 1.706 121.491 119.600 0.309 0.000 2.433 276 M HA 0.614 5.093 4.480 -0.002 0.000 0.290 276 M C -0.268 176.264 176.300 0.386 0.000 1.173 276 M CA 0.676 56.168 55.300 0.320 0.000 0.905 276 M CB 1.481 34.285 32.600 0.341 0.000 1.692 276 M HN 1.169 nan 8.290 nan 0.000 0.462 277 G N 1.656 110.616 108.800 0.266 0.000 2.627 277 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.214 277 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.214 277 G C 0.259 175.307 174.900 0.246 0.000 1.331 277 G CA 0.159 45.433 45.100 0.291 0.000 0.891 277 G HN 1.395 nan 8.290 nan 0.000 0.539 278 S N -0.525 115.329 115.700 0.257 0.000 2.440 278 S HA -0.136 4.333 4.470 -0.002 0.000 0.238 278 S C 2.617 177.361 174.600 0.239 0.000 1.010 278 S CA 2.557 60.892 58.200 0.226 0.000 0.972 278 S CB -0.686 62.648 63.200 0.224 0.000 0.774 278 S HN 2.312 nan 8.310 nan 0.000 0.501 279 S N 0.907 116.763 115.700 0.260 0.000 2.400 279 S HA -0.138 4.331 4.470 -0.002 0.000 0.232 279 S C 1.948 176.700 174.600 0.254 0.000 1.025 279 S CA 0.991 59.358 58.200 0.279 0.000 0.993 279 S CB -1.519 61.644 63.200 -0.062 0.000 0.808 279 S HN 0.688 nan 8.310 nan 0.000 0.478 280 C N 1.947 121.366 119.300 0.198 0.000 2.411 280 C HA 0.008 4.467 4.460 -0.002 0.000 0.279 280 C C 2.965 178.052 174.990 0.163 0.000 1.288 280 C CA 0.644 59.768 59.018 0.175 0.000 1.764 280 C CB -1.183 26.657 27.740 0.166 0.000 1.974 280 C HN 0.594 nan 8.230 nan 0.000 0.498 281 E N 0.548 120.847 120.200 0.165 0.000 2.028 281 E HA -0.139 4.210 4.350 -0.002 0.000 0.191 281 E C 2.240 178.931 176.600 0.151 0.000 0.988 281 E CA 1.646 58.129 56.400 0.137 0.000 0.799 281 E CB -0.800 28.974 29.700 0.123 0.000 0.755 281 E HN 0.581 nan 8.360 nan 0.000 0.447 282 T N 1.895 116.567 114.554 0.198 0.000 2.788 282 T HA -0.081 4.268 4.350 -0.002 0.000 0.268 282 T C 2.130 176.911 174.700 0.135 0.000 1.044 282 T CA 0.835 63.058 62.100 0.204 0.000 1.139 282 T CB -0.202 68.798 68.868 0.219 0.000 0.867 282 T HN 0.098 nan 8.240 nan 0.000 0.454 283 I N 0.849 121.517 120.570 0.164 0.000 2.226 283 I HA -0.169 4.000 4.170 -0.002 0.000 0.245 283 I C 2.729 178.939 176.117 0.154 0.000 1.100 283 I CA 1.399 62.801 61.300 0.170 0.000 1.374 283 I CB -0.330 37.795 38.000 0.210 0.000 1.057 283 I HN 0.321 nan 8.210 nan 0.000 0.413 284 E N 0.980 121.253 120.200 0.122 0.000 2.106 284 E HA -0.285 4.064 4.350 -0.002 0.000 0.192 284 E C 2.117 178.763 176.600 0.077 0.000 0.984 284 E CA 1.181 57.628 56.400 0.079 0.000 0.806 284 E CB 0.017 29.752 29.700 0.058 0.000 0.750 284 E HN 0.438 nan 8.360 nan 0.000 0.458 285 E N -0.112 120.145 120.200 0.094 0.000 2.085 285 E HA -0.184 4.165 4.350 -0.002 0.000 0.194 285 E C 2.029 178.694 176.600 0.109 0.000 0.994 285 E CA 1.449 57.907 56.400 0.096 0.000 0.801 285 E CB 0.159 29.935 29.700 0.126 0.000 0.743 285 E HN 0.172 nan 8.360 nan 0.000 0.453 286 V N 1.201 121.187 119.914 0.119 0.000 2.427 286 V HA -0.236 3.883 4.120 -0.002 0.000 0.248 286 V C 2.347 178.521 176.094 0.134 0.000 1.051 286 V CA 1.408 63.800 62.300 0.153 0.000 1.048 286 V CB -0.363 31.559 31.823 0.164 0.000 0.666 286 V HN 0.333 nan 8.190 nan 0.000 0.456 287 I N 0.599 121.216 120.570 0.079 0.000 2.226 287 I HA -0.232 3.937 4.170 -0.002 0.000 0.245 287 I C 2.393 178.521 176.117 0.017 0.000 1.100 287 I CA 1.415 62.712 61.300 -0.005 0.000 1.374 287 I CB -0.515 37.477 38.000 -0.014 0.000 1.057 287 I HN 0.365 nan 8.210 nan 0.000 0.413 288 N N -0.061 118.667 118.700 0.046 0.000 2.104 288 N HA -0.245 4.494 4.740 -0.002 0.000 0.190 288 N C 1.849 177.390 175.510 0.052 0.000 1.024 288 N CA 1.322 54.395 53.050 0.038 0.000 0.853 288 N CB -0.668 37.843 38.487 0.041 0.000 1.008 288 N HN 0.470 nan 8.380 nan 0.000 0.424 289 H N 1.061 120.133 119.070 0.003 0.000 2.299 289 H HA 0.061 4.616 4.556 -0.002 0.000 0.302 289 H C 2.061 177.393 175.328 0.006 0.000 1.078 289 H CA 1.053 57.100 56.048 -0.001 0.000 1.323 289 H CB -0.103 29.654 29.762 -0.009 0.000 1.381 289 H HN 0.111 nan 8.280 nan 0.000 0.498 290 L N 0.187 121.527 121.223 0.196 0.000 2.109 290 L HA -0.061 4.278 4.340 -0.002 0.000 0.207 290 L C 3.096 179.957 176.870 -0.015 0.000 1.086 290 L CA 0.866 55.770 54.840 0.106 0.000 0.760 290 L CB -0.576 41.526 42.059 0.072 0.000 0.910 290 L HN 0.249 nan 8.230 nan 0.000 0.437 291 A N 0.252 123.052 122.820 -0.034 0.000 1.972 291 A HA -0.118 4.201 4.320 -0.002 0.000 0.219 291 A C 2.458 180.018 177.584 -0.039 0.000 1.169 291 A CA 1.532 53.545 52.037 -0.040 0.000 0.635 291 A CB -0.543 18.438 19.000 -0.032 0.000 0.810 291 A HN 0.390 nan 8.150 nan 0.000 0.446 292 A N -0.546 122.240 122.820 -0.057 0.000 2.121 292 A HA -0.041 4.278 4.320 -0.002 0.000 0.218 292 A C 1.830 179.367 177.584 -0.077 0.000 1.154 292 A CA 1.374 53.369 52.037 -0.071 0.000 0.679 292 A CB -0.255 18.683 19.000 -0.104 0.000 0.795 292 A HN 0.512 nan 8.150 nan 0.000 0.458 293 K N -1.489 118.864 120.400 -0.078 0.000 2.387 293 K HA 0.285 4.604 4.320 -0.002 0.000 0.198 293 K C 0.969 177.552 176.600 -0.029 0.000 1.022 293 K CA 0.431 56.684 56.287 -0.058 0.000 1.128 293 K CB 0.229 32.697 32.500 -0.052 0.000 0.853 293 K HN 0.554 nan 8.250 nan 0.000 0.523 294 G N 1.531 110.315 108.800 -0.026 0.000 2.194 294 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.236 294 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.236 294 G C -0.302 174.589 174.900 -0.014 0.000 0.987 294 G CA -0.381 44.710 45.100 -0.015 0.000 0.635 294 G HN 0.356 nan 8.290 nan 0.000 0.520 295 E N 1.330 121.516 120.200 -0.024 0.000 2.366 295 E HA 0.198 4.547 4.350 -0.002 0.000 0.266 295 E C 0.095 176.671 176.600 -0.040 0.000 1.015 295 E CA -0.029 56.349 56.400 -0.037 0.000 0.906 295 E CB 0.435 30.094 29.700 -0.068 0.000 0.979 295 E HN 0.064 nan 8.360 nan 0.000 0.443 296 K N 4.533 124.923 120.400 -0.016 0.000 2.278 296 K HA 0.205 4.524 4.320 -0.002 0.000 0.237 296 K C 0.189 176.797 176.600 0.014 0.000 1.229 296 K CA 0.075 56.369 56.287 0.012 0.000 1.155 296 K CB -0.996 31.523 32.500 0.031 0.000 1.590 296 K HN 0.465 nan 8.250 nan 0.000 0.290 297 I N -3.176 117.369 120.570 -0.042 0.000 2.957 297 I HA 0.865 5.034 4.170 -0.002 0.000 0.310 297 I C 0.012 176.146 176.117 0.029 0.000 1.063 297 I CA -1.111 60.142 61.300 -0.078 0.000 1.033 297 I CB 2.598 40.250 38.000 -0.579 0.000 1.230 297 I HN 0.207 nan 8.210 nan 0.000 0.447 298 G N 2.602 111.506 108.800 0.174 0.000 2.645 298 G HA2 0.639 4.598 3.960 -0.002 0.000 0.292 298 G HA3 0.639 4.598 3.960 -0.002 0.000 0.292 298 G C -2.270 172.725 174.900 0.158 0.000 1.415 298 G CA -0.722 44.446 45.100 0.113 0.000 0.785 298 G HN 0.788 nan 8.290 nan 0.000 0.483 299 L N -0.516 120.616 121.223 -0.153 0.000 2.445 299 L HA 0.791 5.130 4.340 -0.002 0.000 0.262 299 L C -1.411 175.471 176.870 0.020 0.000 0.974 299 L CA -0.722 54.140 54.840 0.037 0.000 0.822 299 L CB 1.966 44.067 42.059 0.070 0.000 1.339 299 L HN 0.503 nan 8.230 nan 0.000 0.409 300 I N 4.236 124.944 120.570 0.229 0.000 2.355 300 I HA 0.384 4.553 4.170 -0.002 0.000 0.288 300 I C -0.388 175.919 176.117 0.316 0.000 0.999 300 I CA -0.686 60.798 61.300 0.307 0.000 1.163 300 I CB 1.389 39.597 38.000 0.347 0.000 1.316 300 I HN 0.566 nan 8.210 nan 0.000 0.454 301 K N 5.673 126.243 120.400 0.283 0.000 2.227 301 K HA 0.449 4.768 4.320 -0.002 0.000 0.280 301 K C -0.779 175.998 176.600 0.295 0.000 1.041 301 K CA -0.624 55.818 56.287 0.259 0.000 0.905 301 K CB 2.008 34.624 32.500 0.192 0.000 1.068 301 K HN 0.297 nan 8.250 nan 0.000 0.470 302 V N 4.856 124.940 119.914 0.284 0.000 2.385 302 V HA 0.122 4.241 4.120 -0.002 0.000 0.269 302 V C 0.795 176.892 176.094 0.004 0.000 1.043 302 V CA -0.241 62.156 62.300 0.163 0.000 0.906 302 V CB 0.967 33.005 31.823 0.357 0.000 0.995 302 V HN 0.709 nan 8.190 nan 0.000 0.467 303 R N 3.345 123.744 120.500 -0.168 0.000 2.056 303 R HA 0.308 4.647 4.340 -0.002 0.000 0.215 303 R C 0.305 176.534 176.300 -0.119 0.000 1.205 303 R CA 0.143 56.173 56.100 -0.118 0.000 1.020 303 R CB -0.204 30.041 30.300 -0.092 0.000 0.911 303 R HN 0.539 nan 8.270 nan 0.000 0.451 304 L N 1.540 122.624 121.223 -0.233 0.000 2.268 304 L HA 0.187 4.526 4.340 -0.002 0.000 0.289 304 L C 0.195 177.008 176.870 -0.095 0.000 1.064 304 L CA -0.115 54.655 54.840 -0.117 0.000 0.824 304 L CB 0.710 42.699 42.059 -0.116 0.000 1.202 304 L HN 0.220 nan 8.230 nan 0.000 0.433 305 Y N 5.042 125.364 120.300 0.036 0.000 2.365 305 Y HA 0.284 4.833 4.550 -0.002 0.000 0.293 305 Y C 0.411 176.470 175.900 0.265 0.000 1.119 305 Y CA 0.630 58.861 58.100 0.218 0.000 1.203 305 Y CB 0.338 38.975 38.460 0.294 0.000 1.026 305 Y HN 0.424 nan 8.280 nan 0.000 0.549 306 R N 0.385 120.899 120.500 0.024 0.000 2.533 306 R HA 0.326 4.665 4.340 -0.002 0.000 0.288 306 R C -3.023 173.251 176.300 -0.043 0.000 1.039 306 R CA -2.270 53.800 56.100 -0.050 0.000 0.909 306 R CB 1.562 31.839 30.300 -0.039 0.000 1.195 306 R HN -0.019 nan 8.270 nan 0.000 0.438 307 P HA 0.096 nan 4.420 nan 0.000 0.272 307 P C -0.660 176.678 177.300 0.064 0.000 1.223 307 P CA -0.160 62.971 63.100 0.052 0.000 0.784 307 P CB 0.390 32.149 31.700 0.099 0.000 0.923 308 F N 2.975 122.889 119.950 -0.061 0.000 2.371 308 F HA 0.284 4.810 4.527 -0.002 0.000 0.363 308 F C -0.468 175.384 175.800 0.088 0.000 1.122 308 F CA -0.379 57.623 58.000 0.003 0.000 1.129 308 F CB 0.459 39.394 39.000 -0.109 0.000 1.173 308 F HN -0.073 nan 8.300 nan 0.000 0.489 309 V N 7.059 126.934 119.914 -0.066 0.000 2.304 309 V HA 0.060 4.179 4.120 -0.002 0.000 0.269 309 V C 0.938 176.990 176.094 -0.070 0.000 1.036 309 V CA 0.293 62.609 62.300 0.027 0.000 0.840 309 V CB 0.433 32.311 31.823 0.092 0.000 1.036 309 V HN 0.955 nan 8.190 nan 0.000 0.466 310 S N 2.750 118.449 115.700 -0.002 0.000 2.383 310 S HA -0.276 4.193 4.470 -0.002 0.000 0.229 310 S C 1.685 176.314 174.600 0.048 0.000 1.030 310 S CA 1.697 59.875 58.200 -0.036 0.000 1.002 310 S CB -0.259 63.027 63.200 0.143 0.000 0.829 310 S HN 0.825 nan 8.310 nan 0.000 0.467 311 E N 1.910 122.186 120.200 0.127 0.000 2.085 311 E HA -0.164 4.185 4.350 -0.002 0.000 0.194 311 E C 2.083 178.738 176.600 0.091 0.000 0.994 311 E CA 1.169 57.661 56.400 0.152 0.000 0.801 311 E CB -0.529 29.235 29.700 0.106 0.000 0.743 311 E HN 0.695 nan 8.360 nan 0.000 0.453 312 A N 0.200 123.061 122.820 0.068 0.000 2.014 312 A HA -0.082 4.237 4.320 -0.002 0.000 0.218 312 A C 1.892 179.438 177.584 -0.063 0.000 1.163 312 A CA 0.840 52.949 52.037 0.119 0.000 0.652 312 A CB -0.671 18.512 19.000 0.306 0.000 0.808 312 A HN 0.512 nan 8.150 nan 0.000 0.449 313 F N -0.181 119.360 119.950 -0.681 0.000 2.084 313 F HA -0.086 4.440 4.527 -0.002 0.000 0.296 313 F C 1.805 177.235 175.800 -0.617 0.000 1.111 313 F CA 1.484 58.753 58.000 -1.218 0.000 1.224 313 F CB -0.493 37.611 39.000 -1.493 0.000 0.991 313 F HN 0.213 nan 8.300 nan 0.000 0.471 314 F N 0.365 120.095 119.950 -0.367 0.000 2.333 314 F HA -0.082 4.444 4.527 -0.002 0.000 0.300 314 F C 2.496 178.126 175.800 -0.283 0.000 1.083 314 F CA 0.669 58.446 58.000 -0.371 0.000 1.395 314 F CB -0.771 38.116 39.000 -0.188 0.000 1.056 314 F HN 0.109 nan 8.300 nan 0.000 0.529 315 A N -0.179 122.616 122.820 -0.042 0.000 2.067 315 A HA 0.045 4.364 4.320 -0.002 0.000 0.219 315 A C 2.156 179.698 177.584 -0.070 0.000 1.158 315 A CA 1.458 53.481 52.037 -0.024 0.000 0.661 315 A CB -0.764 18.250 19.000 0.023 0.000 0.801 315 A HN 0.277 nan 8.150 nan 0.000 0.452 316 A N -1.375 121.358 122.820 -0.144 0.000 2.308 316 A HA 0.448 4.767 4.320 -0.002 0.000 0.217 316 A C 0.700 178.135 177.584 -0.248 0.000 1.216 316 A CA -0.150 51.827 52.037 -0.099 0.000 0.864 316 A CB 0.001 19.023 19.000 0.037 0.000 0.902 316 A HN 0.398 nan 8.150 nan 0.000 0.499 317 L N 1.815 122.832 121.223 -0.343 0.000 2.260 317 L HA 0.423 4.762 4.340 -0.002 0.000 0.289 317 L C -2.919 173.812 176.870 -0.232 0.000 1.057 317 L CA -1.823 52.829 54.840 -0.313 0.000 0.811 317 L CB 0.964 42.825 42.059 -0.331 0.000 1.184 317 L HN -0.024 nan 8.230 nan 0.000 0.429 318 P HA 0.139 nan 4.420 nan 0.000 0.271 318 P C 0.405 177.660 177.300 -0.075 0.000 1.226 318 P CA -0.129 62.826 63.100 -0.242 0.000 0.765 318 P CB 0.967 32.485 31.700 -0.304 0.000 0.835 319 A N 3.205 125.996 122.820 -0.049 0.000 2.131 319 A HA -0.170 4.149 4.320 -0.002 0.000 0.220 319 A C 1.895 179.490 177.584 0.019 0.000 1.158 319 A CA 1.943 53.981 52.037 0.000 0.000 0.665 319 A CB -1.124 17.869 19.000 -0.012 0.000 0.795 319 A HN 0.572 nan 8.150 nan 0.000 0.460 320 S N -0.553 115.151 115.700 0.005 0.000 2.562 320 S HA 0.455 4.924 4.470 -0.002 0.000 0.221 320 S C 0.922 175.549 174.600 0.046 0.000 0.975 320 S CA 0.250 58.463 58.200 0.022 0.000 0.918 320 S CB -0.567 62.642 63.200 0.014 0.000 0.772 320 S HN 0.883 nan 8.310 nan 0.000 0.531 321 A N 1.693 124.550 122.820 0.061 0.000 2.492 321 A HA 0.365 4.684 4.320 -0.002 0.000 0.254 321 A C 1.003 178.638 177.584 0.085 0.000 1.091 321 A CA -0.301 51.792 52.037 0.094 0.000 0.768 321 A CB 0.225 19.303 19.000 0.130 0.000 1.028 321 A HN 0.500 nan 8.150 nan 0.000 0.498 322 K N 1.415 121.860 120.400 0.075 0.000 2.350 322 K HA 0.251 4.570 4.320 -0.002 0.000 0.196 322 K C -0.463 176.162 176.600 0.043 0.000 1.084 322 K CA 0.545 56.863 56.287 0.052 0.000 0.967 322 K CB 0.641 33.169 32.500 0.046 0.000 0.950 322 K HN 0.507 nan 8.250 nan 0.000 0.512 323 V N 2.214 122.168 119.914 0.067 0.000 2.709 323 V HA 0.435 4.554 4.120 -0.002 0.000 0.308 323 V C -0.864 175.290 176.094 0.100 0.000 1.062 323 V CA -0.820 61.518 62.300 0.063 0.000 0.901 323 V CB 2.160 34.025 31.823 0.070 0.000 1.003 323 V HN 0.071 nan 8.190 nan 0.000 0.425 324 I N 2.657 123.279 120.570 0.088 0.000 2.499 324 I HA 0.481 4.651 4.170 -0.002 0.000 0.288 324 I C -0.372 175.832 176.117 0.144 0.000 1.048 324 I CA -0.272 61.115 61.300 0.146 0.000 1.062 324 I CB 2.535 40.646 38.000 0.184 0.000 1.238 324 I HN 0.514 nan 8.210 nan 0.000 0.426 325 T N 5.414 120.060 114.554 0.153 0.000 2.770 325 T HA 0.418 4.767 4.350 -0.002 0.000 0.283 325 T C -0.229 174.568 174.700 0.161 0.000 0.988 325 T CA -0.444 61.744 62.100 0.147 0.000 0.957 325 T CB 1.542 70.496 68.868 0.144 0.000 0.930 325 T HN 0.166 nan 8.240 nan 0.000 0.443 326 V N 5.627 125.645 119.914 0.173 0.000 2.364 326 V HA 0.384 4.503 4.120 -0.002 0.000 0.272 326 V C 0.025 176.187 176.094 0.113 0.000 1.036 326 V CA -0.762 61.659 62.300 0.203 0.000 0.880 326 V CB 0.822 32.819 31.823 0.289 0.000 0.991 326 V HN 0.734 nan 8.190 nan 0.000 0.460 327 L N 4.854 126.150 121.223 0.121 0.000 2.275 327 L HA 0.559 4.898 4.340 -0.002 0.000 0.288 327 L C -0.167 176.864 176.870 0.269 0.000 1.046 327 L CA -0.192 54.713 54.840 0.108 0.000 0.805 327 L CB 1.133 43.143 42.059 -0.082 0.000 1.193 327 L HN 0.568 nan 8.230 nan 0.000 0.426 328 D N 2.762 123.291 120.400 0.214 0.000 2.375 328 D HA 0.201 4.840 4.640 -0.002 0.000 0.247 328 D C -0.238 176.029 176.300 -0.056 0.000 1.061 328 D CA -0.506 53.600 54.000 0.176 0.000 0.834 328 D CB 2.508 43.345 40.800 0.062 0.000 1.247 328 D HN 0.375 nan 8.370 nan 0.000 0.489 329 R N 1.692 122.069 120.500 -0.204 0.000 4.141 329 R HA 0.209 4.548 4.340 -0.002 0.000 0.281 329 R C -0.385 175.745 176.300 -0.284 0.000 1.608 329 R CA 0.027 55.710 56.100 -0.695 0.000 1.426 329 R CB 0.122 29.732 30.300 -1.151 0.000 1.432 329 R HN 0.364 nan 8.270 nan 0.000 0.708 330 T N -0.888 113.601 114.554 -0.108 0.000 2.693 330 T HA 0.273 4.622 4.350 -0.002 0.000 0.304 330 T C -2.053 172.619 174.700 -0.047 0.000 1.471 330 T CA -0.760 61.335 62.100 -0.008 0.000 0.993 330 T CB 1.397 70.385 68.868 0.200 0.000 1.554 330 T HN 0.219 nan 8.240 nan 0.000 0.496 331 K N 1.705 122.086 120.400 -0.031 0.000 2.581 331 K HA 0.405 4.724 4.320 -0.002 0.000 0.249 331 K C -1.431 175.147 176.600 -0.037 0.000 0.966 331 K CA -0.433 55.826 56.287 -0.046 0.000 0.811 331 K CB 1.368 33.842 32.500 -0.043 0.000 1.223 331 K HN 0.622 nan 8.250 nan 0.000 0.438 332 E N 5.095 125.263 120.200 -0.054 0.000 2.173 332 E HA 0.233 4.582 4.350 -0.002 0.000 0.249 332 E C -2.479 174.095 176.600 -0.044 0.000 0.923 332 E CA -2.011 54.361 56.400 -0.047 0.000 0.754 332 E CB 1.335 30.995 29.700 -0.066 0.000 1.177 332 E HN 0.375 nan 8.360 nan 0.000 0.430 333 P HA -0.055 nan 4.420 nan 0.000 0.261 333 P C 0.901 178.180 177.300 -0.035 0.000 1.183 333 P CA 0.912 63.993 63.100 -0.033 0.000 0.761 333 P CB 0.555 32.243 31.700 -0.019 0.000 0.785 334 G N 2.011 110.784 108.800 -0.045 0.000 2.253 334 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.251 334 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.251 334 G C 0.514 175.385 174.900 -0.049 0.000 0.998 334 G CA 0.021 45.095 45.100 -0.044 0.000 0.621 334 G HN 0.867 nan 8.290 nan 0.000 0.524 335 A N 1.063 123.853 122.820 -0.049 0.000 2.366 335 A HA 0.652 4.971 4.320 -0.002 0.000 0.249 335 A C 0.139 177.693 177.584 -0.050 0.000 1.084 335 A CA -0.019 51.993 52.037 -0.041 0.000 0.794 335 A CB 0.395 19.372 19.000 -0.039 0.000 1.034 335 A HN 0.248 nan 8.150 nan 0.000 0.491 336 P HA 0.159 nan 4.420 nan 0.000 0.237 336 P C 0.482 177.820 177.300 0.063 0.000 1.178 336 P CA 1.299 64.393 63.100 -0.009 0.000 0.766 336 P CB 0.197 31.920 31.700 0.039 0.000 0.876 337 G N -0.721 108.132 108.800 0.089 0.000 2.387 337 G HA2 0.176 4.135 3.960 -0.002 0.000 0.294 337 G HA3 0.176 4.135 3.960 -0.002 0.000 0.294 337 G C -1.907 173.048 174.900 0.091 0.000 1.509 337 G CA -0.635 44.567 45.100 0.170 0.000 0.806 337 G HN -0.208 nan 8.290 nan 0.000 0.546 338 D N 0.754 121.176 120.400 0.037 0.000 2.358 338 D HA 0.295 4.934 4.640 -0.002 0.000 0.244 338 D C -1.212 175.032 176.300 -0.093 0.000 1.163 338 D CA -1.182 52.771 54.000 -0.078 0.000 0.945 338 D CB 1.604 42.335 40.800 -0.114 0.000 1.152 338 D HN -0.009 nan 8.370 nan 0.000 0.451 339 P HA -0.204 nan 4.420 nan 0.000 0.216 339 P C 1.575 178.821 177.300 -0.089 0.000 1.167 339 P CA 0.870 63.775 63.100 -0.325 0.000 0.914 339 P CB 0.149 31.337 31.700 -0.853 0.000 0.793 340 L N -1.950 119.271 121.223 -0.003 0.000 2.046 340 L HA -0.174 4.165 4.340 -0.002 0.000 0.208 340 L C 2.439 179.360 176.870 0.086 0.000 1.077 340 L CA 1.705 56.667 54.840 0.202 0.000 0.747 340 L CB -1.694 40.562 42.059 0.329 0.000 0.896 340 L HN -0.056 nan 8.230 nan 0.000 0.432 341 Y N -0.293 119.994 120.300 -0.022 0.000 2.128 341 Y HA -0.264 4.285 4.550 -0.002 0.000 0.284 341 Y C 2.215 178.074 175.900 -0.068 0.000 1.154 341 Y CA 2.061 60.140 58.100 -0.035 0.000 1.149 341 Y CB -0.428 38.004 38.460 -0.047 0.000 0.976 341 Y HN 0.190 nan 8.280 nan 0.000 0.505 342 L N -0.158 120.955 121.223 -0.184 0.000 2.083 342 L HA -0.216 4.123 4.340 -0.002 0.000 0.209 342 L C 2.105 178.772 176.870 -0.339 0.000 1.083 342 L CA 1.466 56.135 54.840 -0.286 0.000 0.752 342 L CB -0.655 41.327 42.059 -0.128 0.000 0.899 342 L HN 0.223 nan 8.230 nan 0.000 0.433 343 D N -0.174 119.993 120.400 -0.390 0.000 2.117 343 D HA -0.142 4.497 4.640 -0.002 0.000 0.197 343 D C 2.351 178.254 176.300 -0.661 0.000 0.987 343 D CA 1.100 54.681 54.000 -0.698 0.000 0.829 343 D CB -0.196 39.864 40.800 -1.235 0.000 0.961 343 D HN 0.097 nan 8.370 nan 0.000 0.460 344 V N 0.737 120.358 119.914 -0.489 0.000 2.343 344 V HA -0.259 3.860 4.120 -0.002 0.000 0.247 344 V C 2.727 178.738 176.094 -0.137 0.000 1.051 344 V CA 1.214 63.284 62.300 -0.383 0.000 1.036 344 V CB -0.519 31.189 31.823 -0.193 0.000 0.654 344 V HN 0.283 nan 8.190 nan 0.000 0.451 345 C N 0.653 119.815 119.300 -0.230 0.000 2.413 345 C HA -0.159 4.300 4.460 -0.002 0.000 0.276 345 C C 3.296 178.273 174.990 -0.022 0.000 1.248 345 C CA 1.588 60.525 59.018 -0.136 0.000 1.742 345 C CB -1.133 26.388 27.740 -0.365 0.000 2.017 345 C HN 0.783 nan 8.230 nan 0.000 0.481 346 S N 1.556 117.186 115.700 -0.117 0.000 2.399 346 S HA -0.086 4.383 4.470 -0.002 0.000 0.231 346 S C 1.935 176.542 174.600 0.011 0.000 1.022 346 S CA 1.457 59.620 58.200 -0.061 0.000 0.983 346 S CB -0.468 62.661 63.200 -0.119 0.000 0.803 346 S HN 0.616 nan 8.310 nan 0.000 0.480 347 A N 0.967 123.769 122.820 -0.030 0.000 1.898 347 A HA 0.148 4.467 4.320 -0.002 0.000 0.216 347 A C 1.915 179.640 177.584 0.236 0.000 1.181 347 A CA 1.280 53.333 52.037 0.028 0.000 0.620 347 A CB -1.066 17.733 19.000 -0.336 0.000 0.819 347 A HN 0.566 nan 8.150 nan 0.000 0.442 348 F N -0.447 119.670 119.950 0.278 0.000 2.186 348 F HA -0.112 4.414 4.527 -0.002 0.000 0.299 348 F C 2.422 178.311 175.800 0.149 0.000 1.090 348 F CA 1.316 59.500 58.000 0.306 0.000 1.307 348 F CB -0.313 38.813 39.000 0.209 0.000 1.019 348 F HN 0.024 nan 8.300 nan 0.000 0.489 349 V N -0.069 119.999 119.914 0.257 0.000 2.295 349 V HA -0.307 3.812 4.120 -0.002 0.000 0.246 349 V C 2.307 178.464 176.094 0.106 0.000 1.049 349 V CA 2.243 64.628 62.300 0.142 0.000 1.024 349 V CB -0.507 31.364 31.823 0.080 0.000 0.648 349 V HN 0.336 nan 8.190 nan 0.000 0.447 350 E N 0.002 120.264 120.200 0.103 0.000 2.106 350 E HA -0.233 4.116 4.350 -0.002 0.000 0.192 350 E C 2.479 179.112 176.600 0.056 0.000 0.984 350 E CA 0.863 57.308 56.400 0.075 0.000 0.806 350 E CB -0.125 29.624 29.700 0.081 0.000 0.750 350 E HN 0.396 nan 8.360 nan 0.000 0.458 351 R N 0.079 120.614 120.500 0.059 0.000 2.105 351 R HA -0.141 4.198 4.340 -0.002 0.000 0.239 351 R C 1.331 177.610 176.300 -0.035 0.000 1.135 351 R CA 1.411 57.469 56.100 -0.070 0.000 0.967 351 R CB -0.505 29.636 30.300 -0.265 0.000 0.861 351 R HN 0.351 nan 8.270 nan 0.000 0.442 352 G N 0.516 109.334 108.800 0.030 0.000 2.203 352 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.263 352 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.263 352 G C -0.102 174.810 174.900 0.020 0.000 1.012 352 G CA 1.177 46.295 45.100 0.032 0.000 0.749 352 G HN 0.568 nan 8.290 nan 0.000 0.512 353 E N -0.281 119.931 120.200 0.019 0.000 4.050 353 E HA 0.699 5.048 4.350 -0.002 0.000 0.283 353 E C 1.211 177.846 176.600 0.057 0.000 0.811 353 E CA -0.484 55.923 56.400 0.012 0.000 1.609 353 E CB 0.098 29.773 29.700 -0.041 0.000 2.009 353 E HN 0.684 nan 8.360 nan 0.000 0.442 354 A N 1.332 124.190 122.820 0.064 0.000 2.531 354 A HA 0.170 4.489 4.320 -0.002 0.000 0.236 354 A C -0.208 177.468 177.584 0.154 0.000 1.062 354 A CA 0.543 52.636 52.037 0.092 0.000 0.760 354 A CB -0.020 19.034 19.000 0.090 0.000 0.995 354 A HN 0.295 nan 8.150 nan 0.000 0.501 355 M N 3.628 123.276 119.600 0.081 0.000 2.065 355 M HA 0.281 4.760 4.480 -0.002 0.000 0.308 355 M C -2.433 173.826 176.300 -0.069 0.000 0.939 355 M CA -1.981 53.330 55.300 0.018 0.000 0.890 355 M CB 0.139 32.752 32.600 0.021 0.000 1.383 355 M HN 0.400 nan 8.290 nan 0.000 0.381 356 P HA 0.195 nan 4.420 nan 0.000 0.273 356 P C -0.338 176.866 177.300 -0.159 0.000 1.250 356 P CA -0.456 62.570 63.100 -0.123 0.000 0.793 356 P CB 0.689 32.317 31.700 -0.120 0.000 1.011 357 K N 1.404 121.760 120.400 -0.075 0.000 2.379 357 K HA 0.257 4.576 4.320 -0.002 0.000 0.284 357 K C -0.824 175.743 176.600 -0.056 0.000 1.044 357 K CA 0.449 56.707 56.287 -0.048 0.000 0.974 357 K CB -0.694 31.803 32.500 -0.005 0.000 0.962 357 K HN 0.300 nan 8.250 nan 0.000 0.474 358 I N 6.544 127.085 120.570 -0.049 0.000 2.378 358 I HA 0.302 4.471 4.170 -0.002 0.000 0.291 358 I C -0.510 175.666 176.117 0.098 0.000 0.992 358 I CA -0.829 60.477 61.300 0.010 0.000 1.154 358 I CB 0.990 38.968 38.000 -0.038 0.000 1.315 358 I HN 0.364 nan 8.210 nan 0.000 0.448 359 L N 5.571 126.854 121.223 0.100 0.000 2.342 359 L HA 0.803 5.142 4.340 -0.002 0.000 0.271 359 L C -0.055 176.763 176.870 -0.086 0.000 1.008 359 L CA -0.780 54.065 54.840 0.008 0.000 0.818 359 L CB 1.997 44.106 42.059 0.084 0.000 1.296 359 L HN 0.627 nan 8.230 nan 0.000 0.427 360 A N 1.281 123.805 122.820 -0.493 0.000 2.304 360 A HA 0.860 5.179 4.320 -0.002 0.000 0.323 360 A C -0.103 176.992 177.584 -0.816 0.000 1.195 360 A CA -0.328 51.285 52.037 -0.707 0.000 0.826 360 A CB 1.327 19.471 19.000 -1.427 0.000 1.184 360 A HN 0.782 nan 8.150 nan 0.000 0.496 361 G N 0.894 109.201 108.800 -0.822 0.000 2.638 361 G HA2 0.582 4.541 3.960 -0.002 0.000 0.302 361 G HA3 0.582 4.541 3.960 -0.002 0.000 0.302 361 G C -0.853 173.707 174.900 -0.566 0.000 1.365 361 G CA -0.686 43.518 45.100 -1.494 0.000 0.987 361 G HN 0.858 nan 8.290 nan 0.000 0.495 362 R N 0.610 120.869 120.500 -0.403 0.000 2.514 362 R HA 0.711 5.050 4.340 -0.002 0.000 0.301 362 R C -1.134 175.207 176.300 0.069 0.000 0.962 362 R CA -0.756 55.277 56.100 -0.110 0.000 0.882 362 R CB 1.291 31.517 30.300 -0.123 0.000 1.143 362 R HN 0.728 nan 8.270 nan 0.000 0.452 363 Y N 0.168 120.385 120.300 -0.138 0.000 2.689 363 Y HA 0.525 5.074 4.550 -0.002 0.000 0.333 363 Y C 0.540 176.351 175.900 -0.148 0.000 1.190 363 Y CA -0.982 57.044 58.100 -0.124 0.000 1.063 363 Y CB 0.536 38.812 38.460 -0.308 0.000 1.294 363 Y HN 0.720 nan 8.280 nan 0.000 0.466 364 G N 1.038 109.760 108.800 -0.130 0.000 2.309 364 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.286 364 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.286 364 G C -0.132 174.642 174.900 -0.210 0.000 1.002 364 G CA 0.564 45.562 45.100 -0.169 0.000 0.786 364 G HN 0.751 nan 8.290 nan 0.000 0.511 365 L N -0.355 120.762 121.223 -0.175 0.000 2.525 365 L HA 0.344 4.683 4.340 -0.002 0.000 0.278 365 L C 1.755 178.602 176.870 -0.038 0.000 1.218 365 L CA 0.897 55.669 54.840 -0.114 0.000 0.878 365 L CB 0.163 42.176 42.059 -0.076 0.000 1.127 365 L HN 0.803 nan 8.230 nan 0.000 0.492 366 G N 2.571 111.378 108.800 0.012 0.000 2.366 366 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.299 366 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.299 366 G C 0.657 175.603 174.900 0.076 0.000 1.020 366 G CA 0.478 45.636 45.100 0.097 0.000 1.026 366 G HN 0.800 nan 8.290 nan 0.000 0.512 367 S N -2.358 113.393 115.700 0.086 0.000 3.476 367 S HA -0.242 4.227 4.470 -0.002 0.000 0.309 367 S C 1.107 175.694 174.600 -0.021 0.000 1.222 367 S CA 1.883 60.123 58.200 0.067 0.000 0.922 367 S CB -0.631 62.644 63.200 0.125 0.000 1.023 367 S HN 1.501 nan 8.310 nan 0.000 0.591 368 K N 2.607 122.996 120.400 -0.018 0.000 2.489 368 K HA 0.094 4.413 4.320 -0.002 0.000 0.278 368 K C 0.245 176.883 176.600 0.064 0.000 1.000 368 K CA 0.308 56.593 56.287 -0.004 0.000 1.012 368 K CB 0.417 32.925 32.500 0.014 0.000 0.903 368 K HN 0.141 nan 8.250 nan 0.000 0.485 369 E N 2.819 123.049 120.200 0.050 0.000 2.481 369 E HA -0.097 4.252 4.350 -0.002 0.000 0.263 369 E C -0.710 176.021 176.600 0.218 0.000 0.992 369 E CA 0.648 57.102 56.400 0.090 0.000 0.938 369 E CB 0.162 29.882 29.700 0.034 0.000 0.933 369 E HN 0.545 nan 8.360 nan 0.000 0.453 370 F N 2.640 122.623 119.950 0.055 0.000 2.686 370 F HA 0.118 4.644 4.527 -0.002 0.000 0.365 370 F C 0.154 175.941 175.800 -0.022 0.000 1.196 370 F CA -0.479 57.555 58.000 0.057 0.000 1.198 370 F CB 0.433 39.517 39.000 0.140 0.000 1.454 370 F HN 0.302 nan 8.300 nan 0.000 0.539 371 S N 3.436 118.927 115.700 -0.350 0.000 2.669 371 S HA 0.492 4.961 4.470 -0.002 0.000 0.270 371 S C -2.070 172.142 174.600 -0.648 0.000 1.225 371 S CA -1.175 56.702 58.200 -0.538 0.000 0.991 371 S CB 1.525 64.506 63.200 -0.365 0.000 0.987 371 S HN 0.326 nan 8.310 nan 0.000 0.552 372 P HA -0.048 nan 4.420 nan 0.000 0.216 372 P C 1.568 178.744 177.300 -0.206 0.000 1.150 372 P CA 1.962 64.878 63.100 -0.307 0.000 0.837 372 P CB -0.265 31.331 31.700 -0.175 0.000 0.786 373 A N -1.094 121.630 122.820 -0.159 0.000 1.933 373 A HA -0.211 4.108 4.320 -0.002 0.000 0.218 373 A C 2.156 179.534 177.584 -0.343 0.000 1.175 373 A CA 1.878 53.771 52.037 -0.241 0.000 0.628 373 A CB -1.397 17.546 19.000 -0.095 0.000 0.814 373 A HN 0.127 nan 8.150 nan 0.000 0.444 374 M N -0.884 118.510 119.600 -0.344 0.000 2.132 374 M HA -0.107 4.372 4.480 -0.002 0.000 0.263 374 M C 2.075 178.149 176.300 -0.375 0.000 1.065 374 M CA 1.225 56.334 55.300 -0.318 0.000 1.122 374 M CB -0.409 32.008 32.600 -0.304 0.000 1.365 374 M HN 0.236 nan 8.290 nan 0.000 0.411 375 V N 0.634 120.227 119.914 -0.536 0.000 2.343 375 V HA -0.267 3.852 4.120 -0.002 0.000 0.247 375 V C 2.388 178.361 176.094 -0.200 0.000 1.051 375 V CA 1.823 63.909 62.300 -0.356 0.000 1.036 375 V CB -0.750 30.913 31.823 -0.267 0.000 0.654 375 V HN 0.385 nan 8.190 nan 0.000 0.451 376 K N 0.910 121.103 120.400 -0.345 0.000 2.063 376 K HA -0.144 4.175 4.320 -0.002 0.000 0.208 376 K C 2.281 178.723 176.600 -0.262 0.000 1.048 376 K CA 2.048 58.086 56.287 -0.415 0.000 0.928 376 K CB -0.731 31.142 32.500 -1.045 0.000 0.713 376 K HN 0.436 nan 8.250 nan 0.000 0.442 377 S N -0.186 115.346 115.700 -0.279 0.000 2.368 377 S HA -0.114 4.355 4.470 -0.002 0.000 0.225 377 S C 1.944 176.397 174.600 -0.246 0.000 1.030 377 S CA 1.373 59.431 58.200 -0.236 0.000 0.999 377 S CB -0.367 62.699 63.200 -0.223 0.000 0.844 377 S HN 0.144 nan 8.310 nan 0.000 0.459 378 V N 0.354 120.121 119.914 -0.245 0.000 2.343 378 V HA -0.204 3.915 4.120 -0.002 0.000 0.247 378 V C 1.860 177.807 176.094 -0.245 0.000 1.051 378 V CA 1.675 63.812 62.300 -0.272 0.000 1.036 378 V CB -0.833 30.876 31.823 -0.190 0.000 0.654 378 V HN 0.517 nan 8.190 nan 0.000 0.451 379 Y N 0.189 120.436 120.300 -0.089 0.000 2.220 379 Y HA -0.161 4.388 4.550 -0.002 0.000 0.291 379 Y C 2.561 178.418 175.900 -0.072 0.000 1.129 379 Y CA 1.371 59.438 58.100 -0.054 0.000 1.161 379 Y CB -0.195 38.235 38.460 -0.050 0.000 0.997 379 Y HN 0.262 nan 8.280 nan 0.000 0.522 380 D N -0.188 120.231 120.400 0.032 0.000 2.178 380 D HA -0.188 4.451 4.640 -0.002 0.000 0.201 380 D C 1.720 177.991 176.300 -0.049 0.000 0.980 380 D CA 1.168 55.155 54.000 -0.022 0.000 0.842 380 D CB -0.489 40.265 40.800 -0.076 0.000 0.948 380 D HN 0.297 nan 8.370 nan 0.000 0.472 381 N N 0.091 118.727 118.700 -0.106 0.000 2.166 381 N HA -0.096 4.643 4.740 -0.002 0.000 0.186 381 N C 1.663 177.139 175.510 -0.056 0.000 1.019 381 N CA 0.875 53.845 53.050 -0.134 0.000 0.856 381 N CB -0.107 38.206 38.487 -0.290 0.000 0.993 381 N HN 0.106 nan 8.380 nan 0.000 0.426 382 M N -0.698 118.895 119.600 -0.013 0.000 2.476 382 M HA -0.020 4.459 4.480 -0.002 0.000 0.262 382 M C 1.336 177.660 176.300 0.039 0.000 1.079 382 M CA 0.980 56.301 55.300 0.035 0.000 1.104 382 M CB 0.020 32.669 32.600 0.082 0.000 1.409 382 M HN 0.303 nan 8.290 nan 0.000 0.467 383 S N -1.557 114.162 115.700 0.031 0.000 2.523 383 S HA 0.278 4.747 4.470 -0.002 0.000 0.217 383 S C 1.041 175.647 174.600 0.009 0.000 0.996 383 S CA -0.050 58.166 58.200 0.027 0.000 0.921 383 S CB 0.292 63.511 63.200 0.032 0.000 0.829 383 S HN 0.379 nan 8.310 nan 0.000 0.495 384 G N 1.325 110.121 108.800 -0.006 0.000 3.434 384 G HA2 0.585 4.544 3.960 -0.002 0.000 0.197 384 G HA3 0.585 4.544 3.960 -0.002 0.000 0.197 384 G C 1.260 176.151 174.900 -0.014 0.000 1.559 384 G CA -0.005 45.086 45.100 -0.015 0.000 0.852 384 G HN 0.449 nan 8.290 nan 0.000 0.682 385 A N -0.544 122.261 122.820 -0.026 0.000 2.019 385 A HA 0.118 4.437 4.320 -0.002 0.000 0.219 385 A C 1.323 178.901 177.584 -0.010 0.000 1.164 385 A CA 1.871 53.897 52.037 -0.019 0.000 0.644 385 A CB -0.645 18.338 19.000 -0.027 0.000 0.805 385 A HN 0.637 nan 8.150 nan 0.000 0.449 386 K N -1.009 119.380 120.400 -0.017 0.000 3.150 386 K HA -0.180 4.139 4.320 -0.002 0.000 0.267 386 K C -0.048 176.566 176.600 0.023 0.000 1.028 386 K CA 0.959 57.249 56.287 0.004 0.000 0.753 386 K CB -1.417 31.093 32.500 0.016 0.000 1.288 386 K HN 0.715 nan 8.250 nan 0.000 0.473 387 K N 1.414 121.821 120.400 0.013 0.000 2.448 387 K HA 0.047 4.366 4.320 -0.002 0.000 0.278 387 K C 0.074 176.769 176.600 0.159 0.000 1.009 387 K CA -0.102 56.224 56.287 0.064 0.000 0.995 387 K CB 0.512 33.038 32.500 0.043 0.000 0.917 387 K HN 0.126 nan 8.250 nan 0.000 0.481 388 N N 1.617 120.384 118.700 0.112 0.000 2.443 388 N HA 0.160 4.899 4.740 -0.002 0.000 0.293 388 N C -1.193 174.318 175.510 0.002 0.000 1.159 388 N CA -0.161 52.886 53.050 -0.004 0.000 0.904 388 N CB 0.500 38.922 38.487 -0.108 0.000 1.214 388 N HN 0.727 nan 8.380 nan 0.000 0.513 389 H N -0.623 118.355 119.070 -0.153 0.000 2.626 389 H HA -0.209 4.346 4.556 -0.002 0.000 0.317 389 H C -0.559 174.690 175.328 -0.131 0.000 1.140 389 H CA 1.079 56.983 56.048 -0.238 0.000 1.134 389 H CB -1.856 27.804 29.762 -0.171 0.000 1.486 389 H HN 0.374 nan 8.280 nan 0.000 0.417 390 F N -0.947 118.992 119.950 -0.017 0.000 2.410 390 F HA 0.726 5.252 4.527 -0.002 0.000 0.324 390 F C 0.521 176.326 175.800 0.008 0.000 1.093 390 F CA -0.519 57.480 58.000 -0.001 0.000 1.028 390 F CB 1.011 40.003 39.000 -0.013 0.000 1.309 390 F HN 0.046 nan 8.300 nan 0.000 0.499 391 T N -0.402 114.378 114.554 0.375 0.000 2.893 391 T HA 0.696 5.045 4.350 -0.002 0.000 0.291 391 T C -1.308 173.630 174.700 0.397 0.000 1.028 391 T CA -0.868 61.389 62.100 0.261 0.000 0.995 391 T CB 1.453 70.395 68.868 0.123 0.000 1.051 391 T HN 1.048 nan 8.240 nan 0.000 0.470 392 V N 1.233 121.352 119.914 0.341 0.000 2.733 392 V HA 0.702 4.821 4.120 -0.002 0.000 0.306 392 V C 0.601 176.834 176.094 0.231 0.000 1.084 392 V CA 0.797 63.265 62.300 0.279 0.000 0.905 392 V CB 1.050 33.086 31.823 0.355 0.000 1.010 392 V HN 1.734 nan 8.190 nan 0.000 0.424 393 G N 5.345 114.232 108.800 0.145 0.000 2.205 393 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.180 393 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.180 393 G C -0.160 174.786 174.900 0.077 0.000 1.004 393 G CA 0.137 45.308 45.100 0.118 0.000 0.670 393 G HN 1.716 nan 8.290 nan 0.000 0.496 394 I N -2.909 117.705 120.570 0.074 0.000 3.174 394 I HA 0.847 5.016 4.170 -0.002 0.000 0.313 394 I C -0.766 175.384 176.117 0.056 0.000 1.155 394 I CA -1.442 59.893 61.300 0.059 0.000 0.977 394 I CB 2.289 40.319 38.000 0.051 0.000 1.248 394 I HN -0.023 nan 8.210 nan 0.000 0.453 395 E N 2.420 122.653 120.200 0.055 0.000 2.101 395 E HA 0.151 4.500 4.350 -0.002 0.000 0.260 395 E C -1.368 175.262 176.600 0.051 0.000 0.897 395 E CA -0.484 55.943 56.400 0.045 0.000 0.744 395 E CB 0.910 30.632 29.700 0.036 0.000 1.140 395 E HN 0.632 nan 8.360 nan 0.000 0.419 396 D N 4.394 124.823 120.400 0.047 0.000 2.494 396 D HA -0.012 4.627 4.640 -0.002 0.000 0.217 396 D C 0.192 176.513 176.300 0.035 0.000 1.153 396 D CA -0.385 53.642 54.000 0.045 0.000 0.954 396 D CB 0.492 41.319 40.800 0.045 0.000 1.034 396 D HN 0.432 nan 8.370 nan 0.000 0.518 397 D N 1.838 122.257 120.400 0.033 0.000 2.328 397 D HA -0.066 4.573 4.640 -0.002 0.000 0.226 397 D C 1.219 177.530 176.300 0.019 0.000 1.066 397 D CA -0.014 53.999 54.000 0.021 0.000 0.861 397 D CB 0.306 41.114 40.800 0.014 0.000 0.912 397 D HN 0.251 nan 8.370 nan 0.000 0.521 398 V N 0.550 120.478 119.914 0.024 0.000 2.521 398 V HA -0.034 4.085 4.120 -0.002 0.000 0.239 398 V C 2.207 178.311 176.094 0.016 0.000 1.053 398 V CA 1.832 64.144 62.300 0.020 0.000 1.073 398 V CB -0.092 31.747 31.823 0.026 0.000 0.746 398 V HN 0.425 nan 8.190 nan 0.000 0.476 399 T N -2.396 112.169 114.554 0.018 0.000 3.044 399 T HA 0.344 4.693 4.350 -0.002 0.000 0.260 399 T C 1.391 176.103 174.700 0.021 0.000 1.019 399 T CA 0.527 62.636 62.100 0.015 0.000 0.921 399 T CB 0.570 69.444 68.868 0.010 0.000 1.053 399 T HN 0.888 nan 8.240 nan 0.000 0.533 400 G N 2.387 111.202 108.800 0.025 0.000 2.305 400 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.287 400 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.287 400 G C 0.748 175.674 174.900 0.044 0.000 1.036 400 G CA 0.811 45.929 45.100 0.030 0.000 0.887 400 G HN 0.923 nan 8.290 nan 0.000 0.505 401 T N -2.602 111.986 114.554 0.056 0.000 3.060 401 T HA 0.456 4.805 4.350 -0.002 0.000 0.249 401 T C 1.424 176.202 174.700 0.130 0.000 1.079 401 T CA 0.923 63.077 62.100 0.090 0.000 1.013 401 T CB 0.208 69.123 68.868 0.078 0.000 0.975 401 T HN 1.398 nan 8.240 nan 0.000 0.518 402 S N 1.465 117.221 115.700 0.093 0.000 2.584 402 S HA 0.621 5.091 4.470 -0.002 0.000 0.273 402 S C -0.100 174.522 174.600 0.037 0.000 1.311 402 S CA -1.002 57.256 58.200 0.096 0.000 1.034 402 S CB 0.632 63.874 63.200 0.070 0.000 0.939 402 S HN 0.392 nan 8.310 nan 0.000 0.513 403 L N 2.885 124.104 121.223 -0.007 0.000 2.350 403 L HA 0.460 4.799 4.340 -0.002 0.000 0.275 403 L C -1.827 174.995 176.870 -0.080 0.000 1.099 403 L CA -2.155 52.610 54.840 -0.124 0.000 0.808 403 L CB 0.749 42.622 42.059 -0.311 0.000 1.149 403 L HN 0.561 nan 8.230 nan 0.000 0.442 404 P HA 0.143 nan 4.420 nan 0.000 0.275 404 P C -1.005 176.245 177.300 -0.082 0.000 1.228 404 P CA -0.230 62.833 63.100 -0.063 0.000 0.786 404 P CB 1.588 33.254 31.700 -0.057 0.000 0.927 405 V N 2.896 122.772 119.914 -0.064 0.000 2.483 405 V HA 0.164 4.283 4.120 -0.002 0.000 0.297 405 V C -0.079 175.978 176.094 -0.062 0.000 1.027 405 V CA -0.383 61.869 62.300 -0.079 0.000 0.855 405 V CB 1.527 33.310 31.823 -0.066 0.000 0.995 405 V HN 0.528 nan 8.190 nan 0.000 0.424 406 D N 3.908 124.263 120.400 -0.075 0.000 2.441 406 D HA 0.171 4.810 4.640 -0.002 0.000 0.221 406 D C 0.889 177.182 176.300 -0.012 0.000 1.156 406 D CA -0.149 53.828 54.000 -0.038 0.000 0.896 406 D CB 0.599 41.377 40.800 -0.036 0.000 1.028 406 D HN 0.420 nan 8.370 nan 0.000 0.509 407 N N 2.461 121.160 118.700 -0.002 0.000 2.575 407 N HA -0.061 4.678 4.740 -0.002 0.000 0.192 407 N C 0.987 176.523 175.510 0.044 0.000 1.200 407 N CA 0.136 53.196 53.050 0.017 0.000 0.897 407 N CB 0.421 38.911 38.487 0.005 0.000 0.990 407 N HN 0.443 nan 8.380 nan 0.000 0.449 408 A N 0.087 122.941 122.820 0.056 0.000 2.218 408 A HA 0.068 4.387 4.320 -0.002 0.000 0.209 408 A C 0.664 178.312 177.584 0.106 0.000 1.168 408 A CA -0.521 51.552 52.037 0.059 0.000 0.804 408 A CB -0.429 18.599 19.000 0.046 0.000 0.834 408 A HN 0.310 nan 8.150 nan 0.000 0.482 409 F N 1.271 121.182 119.950 -0.065 0.000 2.623 409 F HA 0.232 4.758 4.527 -0.002 0.000 0.386 409 F C 1.024 176.767 175.800 -0.094 0.000 1.068 409 F CA -0.328 57.619 58.000 -0.088 0.000 1.265 409 F CB 0.473 39.397 39.000 -0.127 0.000 1.026 409 F HN 0.322 nan 8.300 nan 0.000 0.568 410 A N 5.580 128.091 122.820 -0.515 0.000 2.425 410 A HA 0.015 4.334 4.320 -0.002 0.000 0.242 410 A C -0.013 177.196 177.584 -0.624 0.000 1.077 410 A CA -0.473 51.285 52.037 -0.464 0.000 0.781 410 A CB 0.108 18.904 19.000 -0.339 0.000 1.020 410 A HN 0.822 nan 8.150 nan 0.000 0.494 411 D N 0.562 120.772 120.400 -0.315 0.000 2.458 411 D HA 0.048 4.687 4.640 -0.002 0.000 0.243 411 D C 1.058 177.176 176.300 -0.302 0.000 1.146 411 D CA 1.129 54.995 54.000 -0.223 0.000 0.877 411 D CB 0.710 41.468 40.800 -0.069 0.000 1.176 411 D HN 0.555 nan 8.370 nan 0.000 0.461 412 T N -0.749 113.651 114.554 -0.257 0.000 3.092 412 T HA 0.073 4.422 4.350 -0.002 0.000 0.258 412 T C 0.944 175.650 174.700 0.010 0.000 1.031 412 T CA -0.360 61.614 62.100 -0.210 0.000 0.925 412 T CB -0.147 68.565 68.868 -0.260 0.000 1.036 412 T HN 0.427 nan 8.240 nan 0.000 0.544 413 T N 1.446 116.026 114.554 0.043 0.000 2.926 413 T HA 0.379 4.728 4.350 -0.002 0.000 0.307 413 T C -2.584 172.145 174.700 0.049 0.000 1.059 413 T CA -1.241 60.894 62.100 0.059 0.000 1.122 413 T CB 0.041 68.941 68.868 0.053 0.000 0.972 413 T HN -0.002 nan 8.240 nan 0.000 0.545 414 P HA 0.126 nan 4.420 nan 0.000 0.267 414 P C -0.179 177.146 177.300 0.042 0.000 1.201 414 P CA -0.306 62.814 63.100 0.033 0.000 0.775 414 P CB 0.339 32.044 31.700 0.008 0.000 0.854 415 K N 1.404 121.829 120.400 0.041 0.000 2.448 415 K HA 0.293 4.612 4.320 -0.002 0.000 0.278 415 K C 1.253 177.885 176.600 0.053 0.000 1.009 415 K CA 0.859 57.173 56.287 0.044 0.000 0.995 415 K CB -0.300 32.222 32.500 0.036 0.000 0.917 415 K HN 0.825 nan 8.250 nan 0.000 0.481 416 G N 2.018 110.854 108.800 0.061 0.000 2.213 416 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.226 416 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.226 416 G C 0.169 175.125 174.900 0.093 0.000 0.992 416 G CA -0.139 45.005 45.100 0.073 0.000 0.632 416 G HN 0.571 nan 8.290 nan 0.000 0.511 417 T N 1.749 116.356 114.554 0.088 0.000 2.834 417 T HA 0.525 4.874 4.350 -0.002 0.000 0.298 417 T C 0.562 175.334 174.700 0.120 0.000 0.966 417 T CA 0.383 62.545 62.100 0.104 0.000 1.141 417 T CB 1.278 70.189 68.868 0.071 0.000 0.905 417 T HN 0.328 nan 8.240 nan 0.000 0.535 418 I N 3.699 124.370 120.570 0.168 0.000 2.339 418 I HA 0.254 4.423 4.170 -0.002 0.000 0.290 418 I C 0.335 176.583 176.117 0.219 0.000 0.994 418 I CA -0.638 60.776 61.300 0.189 0.000 1.191 418 I CB 1.218 39.342 38.000 0.207 0.000 1.343 418 I HN 0.477 nan 8.210 nan 0.000 0.458 419 Q N 5.618 125.525 119.800 0.178 0.000 2.316 419 Q HA 0.586 4.925 4.340 -0.002 0.000 0.264 419 Q C -1.300 174.821 176.000 0.201 0.000 0.987 419 Q CA -0.701 55.199 55.803 0.161 0.000 0.852 419 Q CB 2.596 31.398 28.738 0.107 0.000 1.287 419 Q HN 0.623 nan 8.270 nan 0.000 0.448 420 C N 1.540 120.971 119.300 0.218 0.000 2.707 420 C HA 0.566 5.025 4.460 -0.002 0.000 0.313 420 C C -0.485 174.544 174.990 0.065 0.000 1.209 420 C CA -0.771 58.370 59.018 0.205 0.000 1.635 420 C CB 1.801 29.769 27.740 0.380 0.000 2.206 420 C HN 0.797 nan 8.230 nan 0.000 0.485 421 Q N 0.452 120.174 119.800 -0.130 0.000 2.347 421 Q HA 0.655 4.994 4.340 -0.002 0.000 0.271 421 Q C -1.860 173.975 176.000 -0.276 0.000 1.064 421 Q CA -0.263 55.441 55.803 -0.165 0.000 0.800 421 Q CB 2.287 30.975 28.738 -0.083 0.000 1.304 421 Q HN 0.640 nan 8.270 nan 0.000 0.438 422 F N 0.882 120.783 119.950 -0.082 0.000 2.507 422 F HA 0.421 4.947 4.527 -0.002 0.000 0.328 422 F C -1.074 174.643 175.800 -0.138 0.000 1.136 422 F CA -0.694 57.264 58.000 -0.070 0.000 0.930 422 F CB 1.076 40.002 39.000 -0.124 0.000 1.166 422 F HN 0.428 nan 8.300 nan 0.000 0.436 423 W N 2.747 124.020 121.300 -0.045 0.000 2.291 423 W HA 0.655 5.314 4.660 -0.002 0.000 0.312 423 W C 0.354 176.950 176.519 0.129 0.000 1.061 423 W CA -0.946 56.429 57.345 0.049 0.000 1.296 423 W CB 1.471 31.015 29.460 0.139 0.000 1.223 423 W HN 0.631 nan 8.180 nan 0.000 0.421 424 G N 2.292 111.272 108.800 0.299 0.000 2.600 424 G HA2 0.664 4.623 3.960 -0.002 0.000 0.303 424 G HA3 0.664 4.623 3.960 -0.002 0.000 0.303 424 G C -1.989 173.148 174.900 0.394 0.000 1.253 424 G CA -1.031 44.259 45.100 0.317 0.000 0.974 424 G HN 0.322 nan 8.290 nan 0.000 0.483 425 L N 0.948 122.342 121.223 0.284 0.000 2.309 425 L HA 0.713 5.052 4.340 -0.002 0.000 0.282 425 L C 0.949 177.929 176.870 0.183 0.000 1.036 425 L CA -0.386 54.605 54.840 0.252 0.000 0.806 425 L CB 1.157 43.289 42.059 0.122 0.000 1.220 425 L HN 0.729 nan 8.230 nan 0.000 0.429 426 G N 4.272 113.179 108.800 0.179 0.000 2.109 426 G HA2 0.361 4.320 3.960 -0.002 0.000 0.249 426 G HA3 0.361 4.320 3.960 -0.002 0.000 0.249 426 G C 0.808 175.769 174.900 0.101 0.000 1.126 426 G CA 0.407 45.590 45.100 0.137 0.000 0.923 426 G HN 1.960 nan 8.290 nan 0.000 0.439 427 A N 2.039 124.910 122.820 0.084 0.000 2.952 427 A HA -0.184 4.135 4.320 -0.002 0.000 0.252 427 A C 1.475 179.093 177.584 0.057 0.000 1.323 427 A CA 1.587 53.659 52.037 0.058 0.000 0.957 427 A CB -1.828 17.201 19.000 0.047 0.000 1.130 427 A HN 1.263 nan 8.150 nan 0.000 0.799 428 D N -1.119 119.327 120.400 0.077 0.000 2.328 428 D HA 0.380 5.019 4.640 -0.002 0.000 0.226 428 D C 1.486 177.830 176.300 0.073 0.000 1.066 428 D CA 1.009 55.054 54.000 0.076 0.000 0.861 428 D CB -0.616 40.245 40.800 0.102 0.000 0.912 428 D HN 1.853 nan 8.370 nan 0.000 0.521 429 G N -0.472 108.364 108.800 0.059 0.000 2.179 429 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.260 429 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.260 429 G C 1.222 176.149 174.900 0.044 0.000 0.977 429 G CA 0.736 45.860 45.100 0.040 0.000 0.641 429 G HN 0.366 nan 8.290 nan 0.000 0.533 430 T N 0.582 115.193 114.554 0.096 0.000 2.652 430 T HA -0.143 4.206 4.350 -0.002 0.000 0.267 430 T C 2.557 177.235 174.700 -0.037 0.000 1.039 430 T CA 2.043 64.215 62.100 0.120 0.000 1.153 430 T CB -0.311 68.690 68.868 0.222 0.000 0.863 430 T HN 0.363 nan 8.240 nan 0.000 0.428 431 V N 1.373 121.231 119.914 -0.095 0.000 2.332 431 V HA -0.148 3.971 4.120 -0.002 0.000 0.248 431 V C 2.852 178.783 176.094 -0.272 0.000 1.055 431 V CA 2.020 64.138 62.300 -0.304 0.000 1.038 431 V CB -1.416 30.155 31.823 -0.421 0.000 0.651 431 V HN 0.623 nan 8.190 nan 0.000 0.450 432 G N -0.498 108.211 108.800 -0.153 0.000 2.418 432 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.217 432 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.217 432 G C 1.773 176.630 174.900 -0.072 0.000 1.158 432 G CA 1.070 46.105 45.100 -0.108 0.000 0.771 432 G HN 0.617 nan 8.290 nan 0.000 0.545 433 A N 1.328 124.117 122.820 -0.051 0.000 1.902 433 A HA -0.099 4.220 4.320 -0.002 0.000 0.217 433 A C 2.301 179.831 177.584 -0.090 0.000 1.181 433 A CA 1.882 53.904 52.037 -0.025 0.000 0.623 433 A CB -0.488 18.517 19.000 0.008 0.000 0.818 433 A HN 0.343 nan 8.150 nan 0.000 0.443 434 N N 0.217 118.804 118.700 -0.188 0.000 2.104 434 N HA -0.159 4.580 4.740 -0.002 0.000 0.190 434 N C 1.613 177.105 175.510 -0.030 0.000 1.024 434 N CA 1.670 54.570 53.050 -0.250 0.000 0.853 434 N CB -0.368 38.020 38.487 -0.165 0.000 1.008 434 N HN 0.579 nan 8.380 nan 0.000 0.424 435 K N 0.565 120.983 120.400 0.031 0.000 2.097 435 K HA -0.061 4.258 4.320 -0.002 0.000 0.206 435 K C 2.005 178.644 176.600 0.064 0.000 1.049 435 K CA 0.806 57.140 56.287 0.079 0.000 0.933 435 K CB 0.020 32.528 32.500 0.012 0.000 0.717 435 K HN 0.139 nan 8.250 nan 0.000 0.442 436 Q N 0.229 120.053 119.800 0.041 0.000 2.079 436 Q HA -0.078 4.261 4.340 -0.002 0.000 0.200 436 Q C 2.186 178.281 176.000 0.158 0.000 0.974 436 Q CA 1.540 57.388 55.803 0.076 0.000 0.840 436 Q CB -0.271 28.504 28.738 0.062 0.000 0.898 436 Q HN 0.323 nan 8.270 nan 0.000 0.430 437 A N 0.823 123.736 122.820 0.154 0.000 1.908 437 A HA -0.176 4.143 4.320 -0.002 0.000 0.218 437 A C 2.172 179.905 177.584 0.249 0.000 1.181 437 A CA 1.254 53.416 52.037 0.208 0.000 0.627 437 A CB -0.708 18.183 19.000 -0.182 0.000 0.818 437 A HN 0.342 nan 8.150 nan 0.000 0.445 438 I N -0.970 119.740 120.570 0.234 0.000 2.179 438 I HA -0.265 3.904 4.170 -0.002 0.000 0.242 438 I C 2.476 178.729 176.117 0.226 0.000 1.088 438 I CA 1.659 63.141 61.300 0.303 0.000 1.357 438 I CB -0.232 37.870 38.000 0.170 0.000 1.051 438 I HN 0.161 nan 8.210 nan 0.000 0.409 439 K N 0.986 121.479 120.400 0.155 0.000 2.026 439 K HA -0.069 4.250 4.320 -0.002 0.000 0.208 439 K C 1.893 178.563 176.600 0.116 0.000 1.048 439 K CA 1.415 57.767 56.287 0.109 0.000 0.929 439 K CB -0.467 32.076 32.500 0.071 0.000 0.713 439 K HN 0.239 nan 8.250 nan 0.000 0.439 440 I N 0.353 121.016 120.570 0.154 0.000 2.127 440 I HA -0.307 3.862 4.170 -0.002 0.000 0.241 440 I C 2.068 178.274 176.117 0.149 0.000 1.075 440 I CA 1.438 62.830 61.300 0.153 0.000 1.334 440 I CB -0.293 37.852 38.000 0.243 0.000 1.040 440 I HN 0.089 nan 8.210 nan 0.000 0.405 441 I N 0.516 121.202 120.570 0.194 0.000 2.252 441 I HA -0.187 3.982 4.170 -0.002 0.000 0.245 441 I C 2.648 178.837 176.117 0.120 0.000 1.102 441 I CA 1.524 62.904 61.300 0.133 0.000 1.385 441 I CB -0.875 37.157 38.000 0.053 0.000 1.064 441 I HN 0.275 nan 8.210 nan 0.000 0.414 442 G N 0.426 109.316 108.800 0.150 0.000 2.408 442 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.217 442 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.217 442 G C 1.149 176.065 174.900 0.027 0.000 1.150 442 G CA 0.819 45.972 45.100 0.088 0.000 0.776 442 G HN 0.295 nan 8.290 nan 0.000 0.542 443 D N 0.225 120.645 120.400 0.034 0.000 2.323 443 D HA 0.011 4.650 4.640 -0.002 0.000 0.209 443 D C 1.492 177.792 176.300 -0.001 0.000 0.973 443 D CA 0.422 54.427 54.000 0.007 0.000 0.874 443 D CB 0.055 40.861 40.800 0.010 0.000 0.930 443 D HN 0.232 nan 8.370 nan 0.000 0.521 444 N N -0.009 118.698 118.700 0.011 0.000 2.200 444 N HA 0.042 4.781 4.740 -0.002 0.000 0.224 444 N C 0.090 175.597 175.510 -0.004 0.000 1.179 444 N CA 0.207 53.257 53.050 0.000 0.000 0.877 444 N CB 1.558 40.048 38.487 0.004 0.000 1.072 444 N HN 0.212 nan 8.380 nan 0.000 0.519 445 T N -3.329 111.221 114.554 -0.007 0.000 2.787 445 T HA 0.322 4.671 4.350 -0.002 0.000 0.297 445 T C -0.461 174.212 174.700 -0.046 0.000 1.221 445 T CA -0.585 61.506 62.100 -0.015 0.000 1.006 445 T CB 1.957 70.826 68.868 0.001 0.000 1.328 445 T HN -0.322 nan 8.240 nan 0.000 0.509 446 D N 0.327 120.695 120.400 -0.053 0.000 2.349 446 D HA 0.276 4.915 4.640 -0.002 0.000 0.214 446 D C 0.540 176.739 176.300 -0.169 0.000 1.063 446 D CA 0.038 53.971 54.000 -0.112 0.000 0.847 446 D CB -0.027 40.735 40.800 -0.064 0.000 0.933 446 D HN 0.438 nan 8.370 nan 0.000 0.513 447 L N 0.485 121.669 121.223 -0.065 0.000 2.439 447 L HA 0.180 4.519 4.340 -0.002 0.000 0.269 447 L C 0.375 177.217 176.870 -0.045 0.000 1.179 447 L CA -0.331 54.527 54.840 0.030 0.000 0.828 447 L CB 0.333 42.482 42.059 0.149 0.000 1.106 447 L HN -0.208 nan 8.230 nan 0.000 0.467 448 F N 1.033 121.051 119.950 0.114 0.000 2.371 448 F HA 0.578 5.104 4.527 -0.002 0.000 0.329 448 F C 0.554 176.411 175.800 0.095 0.000 1.107 448 F CA -0.241 57.807 58.000 0.080 0.000 1.137 448 F CB 1.289 40.314 39.000 0.042 0.000 1.214 448 F HN 0.441 nan 8.300 nan 0.000 0.536 449 A N 2.433 125.364 122.820 0.184 0.000 2.449 449 A HA 0.653 4.972 4.320 -0.002 0.000 0.302 449 A C -1.336 176.173 177.584 -0.125 0.000 1.048 449 A CA -0.620 51.382 52.037 -0.060 0.000 0.708 449 A CB 1.879 20.919 19.000 0.068 0.000 1.274 449 A HN 0.702 nan 8.150 nan 0.000 0.410 450 Q N 1.134 120.748 119.800 -0.310 0.000 2.359 450 Q HA 0.632 4.971 4.340 -0.002 0.000 0.274 450 Q C -0.785 175.062 176.000 -0.255 0.000 1.074 450 Q CA -0.631 55.056 55.803 -0.194 0.000 0.810 450 Q CB 2.341 30.988 28.738 -0.151 0.000 1.342 450 Q HN 1.178 nan 8.270 nan 0.000 0.427 451 G N 2.026 110.729 108.800 -0.162 0.000 2.701 451 G HA2 0.557 4.516 3.960 -0.002 0.000 0.300 451 G HA3 0.557 4.516 3.960 -0.002 0.000 0.300 451 G C -2.438 172.315 174.900 -0.244 0.000 1.410 451 G CA -0.277 44.656 45.100 -0.279 0.000 1.014 451 G HN 0.498 nan 8.290 nan 0.000 0.509 452 Y N 1.516 121.435 120.300 -0.634 0.000 2.442 452 Y HA 0.676 5.225 4.550 -0.002 0.000 0.330 452 Y C -1.812 173.711 175.900 -0.629 0.000 1.100 452 Y CA -1.484 56.366 58.100 -0.415 0.000 1.034 452 Y CB 1.623 39.961 38.460 -0.203 0.000 1.285 452 Y HN 0.484 nan 8.280 nan 0.000 0.440 453 F N 3.266 122.916 119.950 -0.501 0.000 2.495 453 F HA 0.551 5.077 4.527 -0.002 0.000 0.327 453 F C 0.133 175.520 175.800 -0.689 0.000 1.103 453 F CA -0.933 56.767 58.000 -0.500 0.000 0.949 453 F CB 2.217 40.858 39.000 -0.599 0.000 1.142 453 F HN 0.374 nan 8.300 nan 0.000 0.457 454 S N 3.131 118.647 115.700 -0.306 0.000 2.438 454 S HA 0.588 5.057 4.470 -0.002 0.000 0.316 454 S C -0.963 173.445 174.600 -0.320 0.000 1.084 454 S CA -0.366 57.701 58.200 -0.221 0.000 1.107 454 S CB 0.024 63.185 63.200 -0.065 0.000 0.981 454 S HN 0.442 nan 8.310 nan 0.000 0.466 455 Y N 1.926 122.225 120.300 -0.001 0.000 2.545 455 Y HA 0.517 5.066 4.550 -0.002 0.000 0.324 455 Y C 0.743 176.640 175.900 -0.004 0.000 1.220 455 Y CA -0.956 57.148 58.100 0.007 0.000 1.290 455 Y CB 0.542 39.020 38.460 0.031 0.000 1.355 455 Y HN 0.508 nan 8.280 nan 0.000 0.516 456 D N -1.114 119.407 120.400 0.200 0.000 2.277 456 D HA 0.244 4.883 4.640 -0.002 0.000 0.250 456 D C 0.268 176.649 176.300 0.134 0.000 1.032 456 D CA -0.127 53.947 54.000 0.122 0.000 0.947 456 D CB 2.014 42.880 40.800 0.110 0.000 1.159 456 D HN 0.504 nan 8.370 nan 0.000 0.460 457 S N 0.490 116.259 115.700 0.115 0.000 2.446 457 S HA 0.003 4.472 4.470 -0.002 0.000 0.225 457 S C 0.491 175.164 174.600 0.122 0.000 1.016 457 S CA 0.291 58.558 58.200 0.112 0.000 0.943 457 S CB 0.148 63.408 63.200 0.101 0.000 0.786 457 S HN 0.301 nan 8.310 nan 0.000 0.508 458 K N 2.493 122.972 120.400 0.131 0.000 2.416 458 K HA 0.148 4.467 4.320 -0.002 0.000 0.283 458 K C 0.566 177.244 176.600 0.131 0.000 1.037 458 K CA 0.149 56.521 56.287 0.142 0.000 0.995 458 K CB 0.556 33.145 32.500 0.147 0.000 0.938 458 K HN 0.217 nan 8.250 nan 0.000 0.475 459 K N 0.675 121.155 120.400 0.133 0.000 2.217 459 K HA -0.001 4.318 4.320 -0.002 0.000 0.202 459 K C 0.263 176.921 176.600 0.097 0.000 1.051 459 K CA 0.736 57.090 56.287 0.112 0.000 0.952 459 K CB 0.271 32.845 32.500 0.124 0.000 0.736 459 K HN 0.315 nan 8.250 nan 0.000 0.453 460 S N -0.950 114.809 115.700 0.098 0.000 2.526 460 S HA 0.441 4.910 4.470 -0.002 0.000 0.293 460 S C 0.054 174.707 174.600 0.088 0.000 1.092 460 S CA -0.403 57.843 58.200 0.077 0.000 0.980 460 S CB 1.875 65.103 63.200 0.045 0.000 1.048 460 S HN 0.436 nan 8.310 nan 0.000 0.483 461 G N 2.001 110.858 108.800 0.094 0.000 2.283 461 G HA2 -0.174 3.785 3.960 -0.002 0.000 0.280 461 G HA3 -0.174 3.785 3.960 -0.002 0.000 0.280 461 G C 0.412 175.414 174.900 0.171 0.000 1.029 461 G CA 0.096 45.269 45.100 0.122 0.000 0.840 461 G HN 1.028 nan 8.290 nan 0.000 0.505 462 G N -1.114 107.785 108.800 0.164 0.000 2.562 462 G HA2 0.611 4.570 3.960 -0.002 0.000 0.275 462 G HA3 0.611 4.570 3.960 -0.002 0.000 0.275 462 G C -0.018 175.003 174.900 0.201 0.000 1.196 462 G CA -0.261 44.944 45.100 0.175 0.000 0.908 462 G HN 0.998 nan 8.290 nan 0.000 0.524 463 I N -0.359 120.291 120.570 0.134 0.000 2.353 463 I HA 0.515 4.684 4.170 -0.002 0.000 0.293 463 I C -0.052 176.047 176.117 -0.031 0.000 0.992 463 I CA -0.318 61.008 61.300 0.043 0.000 1.268 463 I CB 1.559 39.397 38.000 -0.270 0.000 1.387 463 I HN 0.275 nan 8.210 nan 0.000 0.478 464 T N 8.315 122.859 114.554 -0.016 0.000 2.807 464 T HA 0.595 4.944 4.350 -0.002 0.000 0.279 464 T C -0.251 174.318 174.700 -0.218 0.000 0.993 464 T CA -0.261 61.777 62.100 -0.103 0.000 0.970 464 T CB 0.785 69.636 68.868 -0.028 0.000 0.950 464 T HN 0.382 nan 8.240 nan 0.000 0.441 465 I N 2.739 123.111 120.570 -0.330 0.000 2.382 465 I HA 0.325 4.494 4.170 -0.002 0.000 0.286 465 I C 0.160 176.137 176.117 -0.234 0.000 1.002 465 I CA -0.611 60.406 61.300 -0.472 0.000 1.135 465 I CB 1.616 39.169 38.000 -0.746 0.000 1.288 465 I HN 0.501 nan 8.210 nan 0.000 0.448 466 S N 4.522 120.135 115.700 -0.145 0.000 2.525 466 S HA 0.464 4.933 4.470 -0.002 0.000 0.278 466 S C -0.704 173.791 174.600 -0.176 0.000 1.234 466 S CA -0.528 57.667 58.200 -0.007 0.000 1.058 466 S CB 0.631 63.938 63.200 0.178 0.000 0.983 466 S HN 0.434 nan 8.310 nan 0.000 0.495 467 H N 1.610 120.584 119.070 -0.159 0.000 2.708 467 H HA 0.535 5.090 4.556 -0.002 0.000 0.320 467 H C -0.683 174.556 175.328 -0.148 0.000 0.991 467 H CA -0.401 55.602 56.048 -0.076 0.000 1.243 467 H CB 0.500 30.224 29.762 -0.064 0.000 1.446 467 H HN 0.329 nan 8.280 nan 0.000 0.502 468 L N 3.092 124.347 121.223 0.053 0.000 2.354 468 L HA 0.677 5.016 4.340 -0.002 0.000 0.269 468 L C -0.075 176.738 176.870 -0.094 0.000 1.005 468 L CA -0.874 53.918 54.840 -0.080 0.000 0.819 468 L CB 2.293 44.373 42.059 0.035 0.000 1.311 468 L HN 0.466 nan 8.230 nan 0.000 0.423 469 R N 1.977 122.261 120.500 -0.361 0.000 2.673 469 R HA 0.715 5.054 4.340 -0.002 0.000 0.281 469 R C -1.804 174.179 176.300 -0.529 0.000 0.991 469 R CA -0.683 55.271 56.100 -0.243 0.000 0.896 469 R CB 2.668 32.879 30.300 -0.149 0.000 1.201 469 R HN 0.338 nan 8.270 nan 0.000 0.457 470 F N -0.168 119.844 119.950 0.105 0.000 2.569 470 F HA 0.714 5.240 4.527 -0.002 0.000 0.312 470 F C 0.465 176.334 175.800 0.115 0.000 1.109 470 F CA -0.621 57.450 58.000 0.118 0.000 0.919 470 F CB 2.882 41.953 39.000 0.118 0.000 1.211 470 F HN 0.649 nan 8.300 nan 0.000 0.446 471 G N 1.360 110.352 108.800 0.319 0.000 2.646 471 G HA2 0.387 4.346 3.960 -0.002 0.000 0.291 471 G HA3 0.387 4.346 3.960 -0.002 0.000 0.291 471 G C -0.517 174.569 174.900 0.309 0.000 1.445 471 G CA -0.702 44.544 45.100 0.245 0.000 0.814 471 G HN 0.596 nan 8.290 nan 0.000 0.495 472 E N -0.532 119.809 120.200 0.235 0.000 2.285 472 E HA 0.036 4.385 4.350 -0.002 0.000 0.194 472 E C 0.468 177.272 176.600 0.340 0.000 0.997 472 E CA 0.588 57.145 56.400 0.261 0.000 0.845 472 E CB 0.204 29.997 29.700 0.154 0.000 0.782 472 E HN 0.082 nan 8.360 nan 0.000 0.491 473 K N 1.042 121.537 120.400 0.159 0.000 2.166 473 K HA 0.372 4.691 4.320 -0.002 0.000 0.245 473 K C -2.615 173.662 176.600 -0.538 0.000 0.967 473 K CA -2.686 53.543 56.287 -0.098 0.000 0.863 473 K CB 0.817 33.277 32.500 -0.066 0.000 1.107 473 K HN -0.233 nan 8.250 nan 0.000 0.436 474 P HA 0.064 nan 4.420 nan 0.000 0.265 474 P C -0.403 176.631 177.300 -0.443 0.000 1.187 474 P CA 0.355 62.785 63.100 -1.117 0.000 0.766 474 P CB 0.271 31.554 31.700 -0.695 0.000 0.820 475 I N 3.542 123.943 120.570 -0.281 0.000 2.291 475 I HA 0.145 4.314 4.170 -0.002 0.000 0.290 475 I C 1.163 177.226 176.117 -0.090 0.000 1.050 475 I CA 0.148 61.370 61.300 -0.129 0.000 1.245 475 I CB 0.585 38.539 38.000 -0.078 0.000 1.405 475 I HN 0.301 nan 8.210 nan 0.000 0.478 476 Q N 3.129 122.892 119.800 -0.062 0.000 2.198 476 Q HA 0.164 4.503 4.340 -0.002 0.000 0.209 476 Q C 0.180 176.184 176.000 0.008 0.000 0.848 476 Q CA -0.114 55.684 55.803 -0.009 0.000 0.974 476 Q CB 0.537 29.288 28.738 0.021 0.000 1.115 476 Q HN 0.593 nan 8.270 nan 0.000 0.494 477 S N 2.169 117.812 115.700 -0.096 0.000 3.900 477 S HA 0.008 4.477 4.470 -0.002 0.000 0.248 477 S C 0.623 174.988 174.600 -0.391 0.000 1.310 477 S CA -0.082 57.926 58.200 -0.320 0.000 0.915 477 S CB -0.385 62.454 63.200 -0.601 0.000 1.588 477 S HN 0.279 nan 8.310 nan 0.000 0.472 478 T N 1.236 115.757 114.554 -0.056 0.000 4.309 478 T HA 0.398 4.747 4.350 -0.002 0.000 0.242 478 T C -0.272 174.458 174.700 0.049 0.000 1.142 478 T CA -0.589 61.498 62.100 -0.022 0.000 1.042 478 T CB -1.216 67.714 68.868 0.102 0.000 1.366 478 T HN 0.582 nan 8.240 nan 0.000 0.942 479 Y N -1.499 118.718 120.300 -0.139 0.000 2.677 479 Y HA 0.614 5.163 4.550 -0.002 0.000 0.334 479 Y C -0.974 174.788 175.900 -0.230 0.000 1.196 479 Y CA -2.148 55.848 58.100 -0.174 0.000 1.059 479 Y CB 0.646 39.050 38.460 -0.093 0.000 1.315 479 Y HN 0.057 nan 8.280 nan 0.000 0.455 480 L N 1.994 123.148 121.223 -0.115 0.000 2.482 480 L HA 0.277 4.616 4.340 -0.002 0.000 0.273 480 L C -0.033 176.862 176.870 0.043 0.000 1.228 480 L CA -0.960 53.733 54.840 -0.245 0.000 0.827 480 L CB 0.396 42.283 42.059 -0.287 0.000 1.099 480 L HN 0.544 nan 8.230 nan 0.000 0.494 481 V N 1.871 121.911 119.914 0.210 0.000 2.508 481 V HA 0.005 4.124 4.120 -0.002 0.000 0.281 481 V C 0.547 176.778 176.094 0.228 0.000 1.041 481 V CA 0.034 62.465 62.300 0.217 0.000 1.016 481 V CB 0.958 32.911 31.823 0.217 0.000 0.984 481 V HN 0.963 nan 8.190 nan 0.000 0.478 482 N N 3.402 122.215 118.700 0.188 0.000 2.166 482 N HA 0.149 4.888 4.740 -0.002 0.000 0.213 482 N C 0.295 175.867 175.510 0.103 0.000 1.222 482 N CA -0.267 52.868 53.050 0.141 0.000 0.900 482 N CB 0.545 39.103 38.487 0.118 0.000 1.055 482 N HN 0.558 nan 8.380 nan 0.000 0.515 483 R N 0.567 121.129 120.500 0.103 0.000 2.721 483 R HA 0.565 4.904 4.340 -0.002 0.000 0.272 483 R C -1.250 175.101 176.300 0.086 0.000 1.721 483 R CA -0.413 55.733 56.100 0.076 0.000 1.325 483 R CB 1.506 31.840 30.300 0.057 0.000 1.271 483 R HN 0.183 nan 8.270 nan 0.000 0.556 484 A N 1.169 124.040 122.820 0.086 0.000 2.279 484 A HA 0.315 4.634 4.320 -0.002 0.000 0.303 484 A C -0.043 177.606 177.584 0.109 0.000 1.108 484 A CA -0.478 51.620 52.037 0.100 0.000 0.830 484 A CB 0.638 19.691 19.000 0.089 0.000 1.106 484 A HN 0.613 nan 8.150 nan 0.000 0.493 485 D N -1.465 119.023 120.400 0.147 0.000 2.338 485 D HA 0.142 4.782 4.640 -0.002 0.000 0.208 485 D C -0.572 175.865 176.300 0.229 0.000 0.997 485 D CA 1.094 55.193 54.000 0.166 0.000 0.880 485 D CB 0.230 41.129 40.800 0.165 0.000 0.980 485 D HN 0.488 nan 8.370 nan 0.000 0.509 486 Y N 0.667 121.012 120.300 0.074 0.000 2.406 486 Y HA 0.518 5.067 4.550 -0.002 0.000 0.340 486 Y C -1.644 174.252 175.900 -0.007 0.000 0.975 486 Y CA -1.018 57.114 58.100 0.054 0.000 1.056 486 Y CB 1.477 39.967 38.460 0.049 0.000 1.210 486 Y HN -0.343 nan 8.280 nan 0.000 0.448 487 V N 5.331 124.975 119.914 -0.451 0.000 2.569 487 V HA 0.840 4.959 4.120 -0.002 0.000 0.301 487 V C -0.810 175.085 176.094 -0.332 0.000 1.044 487 V CA -0.573 61.560 62.300 -0.279 0.000 0.874 487 V CB 1.438 33.253 31.823 -0.013 0.000 1.002 487 V HN 0.939 nan 8.190 nan 0.000 0.424 488 A N 3.147 125.788 122.820 -0.298 0.000 2.355 488 A HA 0.728 5.047 4.320 -0.002 0.000 0.317 488 A C -0.624 177.070 177.584 0.183 0.000 1.094 488 A CA -0.466 51.536 52.037 -0.058 0.000 0.764 488 A CB 1.573 20.640 19.000 0.112 0.000 1.230 488 A HN 0.989 nan 8.150 nan 0.000 0.448 489 C N 3.073 122.530 119.300 0.261 0.000 2.294 489 C HA 0.510 4.969 4.460 -0.002 0.000 0.319 489 C C 0.836 176.034 174.990 0.345 0.000 1.164 489 C CA -0.403 58.802 59.018 0.311 0.000 1.497 489 C CB -1.594 26.320 27.740 0.291 0.000 2.061 489 C HN 1.002 nan 8.230 nan 0.000 0.438 490 H N 2.560 121.765 119.070 0.226 0.000 2.547 490 H HA 0.085 4.640 4.556 -0.002 0.000 0.266 490 H C 0.241 175.568 175.328 -0.002 0.000 0.988 490 H CA 0.111 56.231 56.048 0.120 0.000 1.147 490 H CB 0.276 30.142 29.762 0.174 0.000 1.365 490 H HN 0.556 nan 8.280 nan 0.000 0.589 491 N N 0.658 119.378 118.700 0.033 0.000 2.549 491 N HA 0.068 4.807 4.740 -0.002 0.000 0.281 491 N C -1.991 173.384 175.510 -0.224 0.000 1.084 491 N CA -2.351 50.550 53.050 -0.248 0.000 0.862 491 N CB 1.573 39.642 38.487 -0.697 0.000 1.333 491 N HN -0.148 nan 8.380 nan 0.000 0.523 492 P HA -0.169 nan 4.420 nan 0.000 0.218 492 P C 0.896 178.263 177.300 0.111 0.000 1.146 492 P CA 0.926 63.963 63.100 -0.106 0.000 0.813 492 P CB 0.295 31.716 31.700 -0.465 0.000 0.778 493 A N -0.585 122.243 122.820 0.015 0.000 2.024 493 A HA -0.189 4.130 4.320 -0.002 0.000 0.220 493 A C 2.240 179.990 177.584 0.276 0.000 1.164 493 A CA 1.107 53.221 52.037 0.128 0.000 0.643 493 A CB -1.846 17.190 19.000 0.060 0.000 0.806 493 A HN 0.252 nan 8.150 nan 0.000 0.451 494 Y N -0.731 119.703 120.300 0.224 0.000 2.352 494 Y HA -0.153 4.396 4.550 -0.002 0.000 0.292 494 Y C 2.442 178.424 175.900 0.136 0.000 1.136 494 Y CA 0.309 58.570 58.100 0.268 0.000 1.227 494 Y CB -0.227 38.431 38.460 0.330 0.000 0.991 494 Y HN 0.135 nan 8.280 nan 0.000 0.545 495 V N -0.180 119.910 119.914 0.294 0.000 2.317 495 V HA -0.315 3.804 4.120 -0.002 0.000 0.251 495 V C 2.118 178.264 176.094 0.086 0.000 1.065 495 V CA 2.114 64.529 62.300 0.191 0.000 1.049 495 V CB -1.050 30.959 31.823 0.310 0.000 0.651 495 V HN 0.568 nan 8.190 nan 0.000 0.450 496 G N -1.255 107.603 108.800 0.097 0.000 3.523 496 G HA2 0.364 4.323 3.960 -0.002 0.000 0.270 496 G HA3 0.364 4.323 3.960 -0.002 0.000 0.270 496 G C 0.982 175.860 174.900 -0.038 0.000 1.134 496 G CA 0.429 45.535 45.100 0.010 0.000 0.825 496 G HN 0.652 nan 8.290 nan 0.000 0.534 497 I N -5.395 115.132 120.570 -0.071 0.000 4.770 497 I HA 0.493 4.662 4.170 -0.002 0.000 0.327 497 I C -0.166 175.697 176.117 -0.423 0.000 1.271 497 I CA -0.487 60.650 61.300 -0.272 0.000 1.320 497 I CB 0.595 38.363 38.000 -0.388 0.000 1.319 497 I HN -0.101 nan 8.210 nan 0.000 0.462 498 Y N 1.471 121.760 120.300 -0.018 0.000 2.598 498 Y HA 0.495 5.044 4.550 -0.002 0.000 0.340 498 Y C -0.533 175.249 175.900 -0.196 0.000 1.038 498 Y CA -0.904 57.153 58.100 -0.072 0.000 1.100 498 Y CB 1.189 39.615 38.460 -0.058 0.000 1.281 498 Y HN -0.142 nan 8.280 nan 0.000 0.488 499 D N 1.994 122.409 120.400 0.025 0.000 2.741 499 D HA 0.108 4.747 4.640 -0.002 0.000 0.233 499 D C 1.046 177.189 176.300 -0.263 0.000 1.160 499 D CA -0.063 53.877 54.000 -0.100 0.000 1.003 499 D CB -0.347 40.445 40.800 -0.012 0.000 1.064 499 D HN 0.582 nan 8.370 nan 0.000 0.503 500 I N -1.617 118.587 120.570 -0.611 0.000 2.567 500 I HA -0.147 4.022 4.170 -0.002 0.000 0.257 500 I C 1.019 176.813 176.117 -0.539 0.000 1.184 500 I CA 0.968 61.645 61.300 -1.038 0.000 1.451 500 I CB -0.130 37.176 38.000 -1.156 0.000 1.089 500 I HN 0.183 nan 8.210 nan 0.000 0.441 501 L N 1.293 122.255 121.223 -0.436 0.000 2.653 501 L HA 0.249 4.588 4.340 -0.002 0.000 0.231 501 L C 0.888 177.650 176.870 -0.180 0.000 1.153 501 L CA -0.115 54.499 54.840 -0.377 0.000 0.933 501 L CB -0.366 41.394 42.059 -0.498 0.000 1.175 501 L HN 0.306 nan 8.230 nan 0.000 0.473 502 E N 1.052 121.197 120.200 -0.092 0.000 2.493 502 E HA 0.063 4.412 4.350 -0.002 0.000 0.255 502 E C 1.269 177.876 176.600 0.012 0.000 0.999 502 E CA 0.823 57.212 56.400 -0.017 0.000 0.934 502 E CB 0.356 30.084 29.700 0.047 0.000 0.940 502 E HN 0.380 nan 8.360 nan 0.000 0.473 503 G N 4.433 113.233 108.800 0.001 0.000 2.212 503 G HA2 -0.345 3.614 3.960 -0.002 0.000 0.266 503 G HA3 -0.345 3.614 3.960 -0.002 0.000 0.266 503 G C 0.475 175.385 174.900 0.017 0.000 0.978 503 G CA 0.239 45.350 45.100 0.018 0.000 0.632 503 G HN 0.689 nan 8.290 nan 0.000 0.537 504 I N 1.547 122.115 120.570 -0.004 0.000 2.845 504 I HA 0.157 4.326 4.170 -0.002 0.000 0.296 504 I C 1.002 177.131 176.117 0.020 0.000 1.216 504 I CA -0.002 61.301 61.300 0.005 0.000 1.438 504 I CB 0.255 38.233 38.000 -0.038 0.000 1.342 504 I HN 0.163 nan 8.210 nan 0.000 0.577 505 K N 5.693 126.120 120.400 0.046 0.000 2.380 505 K HA 0.032 4.351 4.320 -0.002 0.000 0.267 505 K C -0.489 176.145 176.600 0.058 0.000 0.990 505 K CA -0.443 55.875 56.287 0.052 0.000 0.946 505 K CB 0.198 32.738 32.500 0.067 0.000 0.937 505 K HN 0.513 nan 8.250 nan 0.000 0.491 506 D N 0.499 120.931 120.400 0.054 0.000 2.424 506 D HA 0.094 4.733 4.640 -0.002 0.000 0.244 506 D C 1.160 177.512 176.300 0.086 0.000 1.134 506 D CA 1.089 55.127 54.000 0.063 0.000 0.881 506 D CB 0.735 41.567 40.800 0.054 0.000 1.191 506 D HN 0.739 nan 8.370 nan 0.000 0.445 507 G N 1.490 110.356 108.800 0.109 0.000 2.155 507 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.257 507 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.257 507 G C 0.765 175.758 174.900 0.155 0.000 0.983 507 G CA 0.155 45.335 45.100 0.133 0.000 0.676 507 G HN 0.809 nan 8.290 nan 0.000 0.528 508 G N -0.957 107.932 108.800 0.148 0.000 2.634 508 G HA2 0.534 4.493 3.960 -0.002 0.000 0.255 508 G HA3 0.534 4.493 3.960 -0.002 0.000 0.255 508 G C 0.105 175.143 174.900 0.230 0.000 1.205 508 G CA 0.589 45.789 45.100 0.166 0.000 0.884 508 G HN 0.539 nan 8.290 nan 0.000 0.549 509 T N 0.654 115.359 114.554 0.252 0.000 2.799 509 T HA 0.393 4.742 4.350 -0.002 0.000 0.286 509 T C -1.177 173.678 174.700 0.258 0.000 0.973 509 T CA 0.058 62.345 62.100 0.312 0.000 1.035 509 T CB 0.949 70.019 68.868 0.336 0.000 0.932 509 T HN 0.329 nan 8.240 nan 0.000 0.469 510 F N 4.762 124.824 119.950 0.185 0.000 2.445 510 F HA 0.592 5.118 4.527 -0.002 0.000 0.348 510 F C -1.106 174.852 175.800 0.263 0.000 1.125 510 F CA -1.537 56.535 58.000 0.121 0.000 0.983 510 F CB 0.736 39.834 39.000 0.163 0.000 1.198 510 F HN 0.251 nan 8.300 nan 0.000 0.436 511 V N 7.373 127.127 119.914 -0.266 0.000 2.394 511 V HA 0.490 4.609 4.120 -0.002 0.000 0.282 511 V C -0.748 175.082 176.094 -0.440 0.000 1.031 511 V CA -0.688 61.453 62.300 -0.266 0.000 0.881 511 V CB 1.378 33.152 31.823 -0.082 0.000 0.982 511 V HN 0.666 nan 8.190 nan 0.000 0.451 512 L N 4.779 125.764 121.223 -0.397 0.000 2.365 512 L HA 0.643 4.982 4.340 -0.002 0.000 0.273 512 L C -0.496 176.276 176.870 -0.163 0.000 1.000 512 L CA -0.346 54.329 54.840 -0.274 0.000 0.819 512 L CB 1.969 43.906 42.059 -0.203 0.000 1.284 512 L HN 0.685 nan 8.230 nan 0.000 0.418 513 N N 2.753 121.386 118.700 -0.110 0.000 2.457 513 N HA 0.706 5.445 4.740 -0.002 0.000 0.250 513 N C -1.419 173.907 175.510 -0.306 0.000 0.982 513 N CA 0.275 53.232 53.050 -0.155 0.000 0.941 513 N CB 0.832 39.268 38.487 -0.085 0.000 1.120 513 N HN 0.771 nan 8.380 nan 0.000 0.505 514 S N 2.447 117.900 115.700 -0.413 0.000 2.578 514 S HA 0.505 4.974 4.470 -0.002 0.000 0.272 514 S C -2.842 171.394 174.600 -0.607 0.000 1.145 514 S CA -0.932 56.803 58.200 -0.775 0.000 0.835 514 S CB 2.026 64.367 63.200 -1.432 0.000 1.104 514 S HN 0.376 nan 8.310 nan 0.000 0.458 515 P HA 0.251 nan 4.420 nan 0.000 0.257 515 P C -0.491 176.721 177.300 -0.147 0.000 1.325 515 P CA 0.046 62.949 63.100 -0.328 0.000 0.850 515 P CB -0.220 31.342 31.700 -0.231 0.000 1.324 516 W N 1.103 122.343 121.300 -0.101 0.000 1.694 516 W HA 0.266 4.925 4.660 -0.002 0.000 0.425 516 W C 0.982 177.515 176.519 0.023 0.000 0.615 516 W CA -0.677 56.622 57.345 -0.077 0.000 2.237 516 W CB -1.251 28.124 29.460 -0.140 0.000 1.478 516 W HN -0.000 nan 8.180 nan 0.000 0.427 517 S N 1.019 116.839 115.700 0.200 0.000 2.348 517 S HA -0.145 4.324 4.470 -0.002 0.000 0.221 517 S C 1.389 176.178 174.600 0.314 0.000 1.033 517 S CA 1.383 59.709 58.200 0.209 0.000 1.010 517 S CB -0.340 62.934 63.200 0.124 0.000 0.891 517 S HN 0.425 nan 8.310 nan 0.000 0.442 518 S N 1.895 117.749 115.700 0.256 0.000 2.579 518 S HA 0.204 4.673 4.470 -0.002 0.000 0.275 518 S C 0.875 175.682 174.600 0.345 0.000 1.345 518 S CA -0.597 57.749 58.200 0.243 0.000 1.031 518 S CB 0.646 63.950 63.200 0.173 0.000 0.892 518 S HN 0.172 nan 8.310 nan 0.000 0.529 519 L N 1.853 123.261 121.223 0.308 0.000 2.131 519 L HA -0.076 4.263 4.340 -0.002 0.000 0.210 519 L C 2.556 179.624 176.870 0.330 0.000 1.092 519 L CA 2.247 57.325 54.840 0.396 0.000 0.759 519 L CB -1.147 41.049 42.059 0.228 0.000 0.903 519 L HN 0.998 nan 8.230 nan 0.000 0.435 520 E N -1.634 118.701 120.200 0.225 0.000 2.051 520 E HA -0.248 4.101 4.350 -0.002 0.000 0.192 520 E C 1.502 178.208 176.600 0.176 0.000 0.991 520 E CA 1.584 58.088 56.400 0.173 0.000 0.799 520 E CB -0.618 29.158 29.700 0.127 0.000 0.748 520 E HN 0.481 nan 8.360 nan 0.000 0.449 521 D N 0.379 120.903 120.400 0.206 0.000 2.117 521 D HA -0.126 4.513 4.640 -0.002 0.000 0.198 521 D C 1.971 178.360 176.300 0.149 0.000 0.982 521 D CA 1.252 55.372 54.000 0.200 0.000 0.828 521 D CB -0.194 40.745 40.800 0.232 0.000 0.967 521 D HN 0.205 nan 8.370 nan 0.000 0.464 522 M N 1.326 121.079 119.600 0.255 0.000 2.117 522 M HA -0.155 4.324 4.480 -0.002 0.000 0.262 522 M C 0.949 177.325 176.300 0.127 0.000 1.065 522 M CA 1.654 57.103 55.300 0.248 0.000 1.114 522 M CB -0.358 32.520 32.600 0.464 0.000 1.361 522 M HN -0.215 nan 8.290 nan 0.000 0.408 523 D N -0.590 119.937 120.400 0.210 0.000 2.219 523 D HA -0.141 4.498 4.640 -0.002 0.000 0.205 523 D C 1.889 178.148 176.300 -0.068 0.000 0.970 523 D CA 0.984 55.032 54.000 0.080 0.000 0.851 523 D CB -0.204 40.711 40.800 0.192 0.000 0.943 523 D HN 0.441 nan 8.370 nan 0.000 0.488 524 K N -0.614 119.752 120.400 -0.058 0.000 2.116 524 K HA -0.097 4.222 4.320 -0.002 0.000 0.203 524 K C 1.084 177.418 176.600 -0.444 0.000 1.052 524 K CA 1.028 57.195 56.287 -0.200 0.000 0.952 524 K CB 0.175 32.583 32.500 -0.154 0.000 0.729 524 K HN 0.238 nan 8.250 nan 0.000 0.446 525 H N -0.559 118.172 119.070 -0.565 0.000 2.422 525 H HA 0.111 4.666 4.556 -0.002 0.000 0.303 525 H C -0.329 174.652 175.328 -0.577 0.000 1.033 525 H CA -0.250 55.330 56.048 -0.780 0.000 1.335 525 H CB 0.003 28.671 29.762 -1.824 0.000 1.458 525 H HN -0.020 nan 8.280 nan 0.000 0.556 526 L N 4.430 125.433 121.223 -0.367 0.000 2.654 526 L HA 0.125 4.464 4.340 -0.002 0.000 0.271 526 L C -2.339 174.345 176.870 -0.310 0.000 1.169 526 L CA -1.731 52.955 54.840 -0.257 0.000 0.947 526 L CB 0.004 41.918 42.059 -0.242 0.000 1.232 526 L HN -0.012 nan 8.230 nan 0.000 0.486 527 P HA 0.016 nan 4.420 nan 0.000 0.267 527 P C 0.586 177.707 177.300 -0.298 0.000 1.201 527 P CA 0.311 63.269 63.100 -0.236 0.000 0.775 527 P CB 0.521 32.117 31.700 -0.173 0.000 0.854 528 S N 1.065 116.610 115.700 -0.258 0.000 2.383 528 S HA -0.152 4.317 4.470 -0.002 0.000 0.229 528 S C 2.194 176.650 174.600 -0.241 0.000 1.030 528 S CA 1.417 59.459 58.200 -0.265 0.000 1.002 528 S CB -1.754 61.336 63.200 -0.183 0.000 0.829 528 S HN 0.577 nan 8.310 nan 0.000 0.467 529 G N 2.291 110.973 108.800 -0.197 0.000 2.440 529 G HA2 -0.099 3.860 3.960 -0.002 0.000 0.218 529 G HA3 -0.099 3.860 3.960 -0.002 0.000 0.218 529 G C 1.376 176.149 174.900 -0.212 0.000 1.154 529 G CA 1.071 46.067 45.100 -0.173 0.000 0.767 529 G HN 0.488 nan 8.290 nan 0.000 0.552 530 I N 0.894 121.307 120.570 -0.261 0.000 2.286 530 I HA -0.055 4.114 4.170 -0.002 0.000 0.245 530 I C 2.596 178.500 176.117 -0.356 0.000 1.104 530 I CA 1.055 62.168 61.300 -0.311 0.000 1.397 530 I CB -1.010 36.806 38.000 -0.306 0.000 1.072 530 I HN 0.219 nan 8.210 nan 0.000 0.417 531 K N 0.748 120.864 120.400 -0.473 0.000 2.009 531 K HA -0.181 4.138 4.320 -0.002 0.000 0.210 531 K C 2.243 178.727 176.600 -0.194 0.000 1.049 531 K CA 1.514 57.449 56.287 -0.587 0.000 0.929 531 K CB -0.256 31.642 32.500 -1.004 0.000 0.714 531 K HN 0.259 nan 8.250 nan 0.000 0.440 532 R N 0.265 120.664 120.500 -0.170 0.000 2.105 532 R HA -0.106 4.233 4.340 -0.002 0.000 0.239 532 R C 2.424 178.687 176.300 -0.060 0.000 1.135 532 R CA 1.783 57.843 56.100 -0.066 0.000 0.967 532 R CB -0.491 29.764 30.300 -0.075 0.000 0.861 532 R HN 0.251 nan 8.270 nan 0.000 0.442 533 T N 1.218 115.701 114.554 -0.118 0.000 2.737 533 T HA -0.060 4.289 4.350 -0.002 0.000 0.265 533 T C 1.916 176.557 174.700 -0.100 0.000 1.038 533 T CA 1.099 63.130 62.100 -0.114 0.000 1.144 533 T CB -0.114 68.650 68.868 -0.173 0.000 0.866 533 T HN 0.141 nan 8.240 nan 0.000 0.434 534 I N 1.361 121.842 120.570 -0.149 0.000 2.179 534 I HA -0.195 3.974 4.170 -0.002 0.000 0.242 534 I C 2.949 179.014 176.117 -0.086 0.000 1.088 534 I CA 1.243 62.449 61.300 -0.157 0.000 1.357 534 I CB -0.511 37.305 38.000 -0.306 0.000 1.051 534 I HN 0.201 nan 8.210 nan 0.000 0.409 535 A N 0.941 123.737 122.820 -0.041 0.000 1.873 535 A HA -0.225 4.094 4.320 -0.002 0.000 0.215 535 A C 2.037 179.709 177.584 0.147 0.000 1.186 535 A CA 2.090 54.218 52.037 0.153 0.000 0.616 535 A CB -1.092 18.051 19.000 0.237 0.000 0.823 535 A HN 0.499 nan 8.150 nan 0.000 0.442 536 N N -0.549 118.200 118.700 0.081 0.000 2.289 536 N HA -0.111 4.628 4.740 -0.002 0.000 0.184 536 N C 1.095 176.643 175.510 0.063 0.000 1.016 536 N CA 1.090 54.178 53.050 0.063 0.000 0.872 536 N CB -0.086 38.419 38.487 0.030 0.000 0.973 536 N HN 0.445 nan 8.380 nan 0.000 0.433 537 K N 0.753 121.190 120.400 0.061 0.000 2.372 537 K HA 0.110 4.429 4.320 -0.002 0.000 0.200 537 K C -0.317 176.350 176.600 0.112 0.000 1.022 537 K CA -0.011 56.316 56.287 0.067 0.000 1.125 537 K CB 0.629 33.153 32.500 0.039 0.000 0.855 537 K HN -0.120 nan 8.250 nan 0.000 0.524 538 K N 1.090 121.584 120.400 0.157 0.000 3.071 538 K HA -0.182 4.137 4.320 -0.002 0.000 0.262 538 K C -0.480 176.265 176.600 0.242 0.000 0.977 538 K CA 0.479 56.895 56.287 0.215 0.000 0.721 538 K CB -2.013 30.574 32.500 0.145 0.000 1.293 538 K HN 0.239 nan 8.250 nan 0.000 0.475 539 L N 0.414 121.793 121.223 0.261 0.000 2.439 539 L HA 0.075 4.414 4.340 -0.002 0.000 0.269 539 L C 0.873 177.991 176.870 0.414 0.000 1.179 539 L CA -0.076 54.934 54.840 0.284 0.000 0.828 539 L CB 0.464 42.661 42.059 0.230 0.000 1.106 539 L HN 0.114 nan 8.230 nan 0.000 0.467 540 K N 3.164 123.808 120.400 0.407 0.000 2.183 540 K HA 0.198 4.517 4.320 -0.002 0.000 0.272 540 K C -0.661 176.308 176.600 0.615 0.000 1.113 540 K CA -0.292 56.266 56.287 0.452 0.000 0.949 540 K CB 0.148 32.934 32.500 0.477 0.000 1.365 540 K HN 0.206 nan 8.250 nan 0.000 0.420 541 F N 3.136 123.322 119.950 0.394 0.000 2.427 541 F HA 0.239 4.765 4.527 -0.002 0.000 0.352 541 F C -0.816 175.099 175.800 0.192 0.000 1.100 541 F CA -0.823 57.403 58.000 0.376 0.000 1.191 541 F CB 0.311 39.578 39.000 0.446 0.000 1.128 541 F HN 0.295 nan 8.300 nan 0.000 0.533 542 Y N 4.003 124.104 120.300 -0.332 0.000 2.406 542 Y HA 0.313 4.862 4.550 -0.002 0.000 0.340 542 Y C -0.461 175.009 175.900 -0.716 0.000 0.975 542 Y CA -1.181 56.680 58.100 -0.397 0.000 1.056 542 Y CB 1.785 40.183 38.460 -0.104 0.000 1.210 542 Y HN 0.603 nan 8.280 nan 0.000 0.448 543 N N 3.099 121.524 118.700 -0.459 0.000 2.314 543 N HA 0.660 5.399 4.740 -0.002 0.000 0.294 543 N C -1.870 173.555 175.510 -0.141 0.000 1.029 543 N CA -0.502 52.311 53.050 -0.395 0.000 0.845 543 N CB 1.314 39.510 38.487 -0.486 0.000 1.321 543 N HN 0.726 nan 8.380 nan 0.000 0.481 544 I N 1.697 122.194 120.570 -0.122 0.000 2.569 544 I HA 0.288 4.457 4.170 -0.002 0.000 0.290 544 I C -1.135 174.920 176.117 -0.103 0.000 1.088 544 I CA -0.682 60.577 61.300 -0.068 0.000 1.047 544 I CB 1.618 39.603 38.000 -0.026 0.000 1.237 544 I HN 0.540 nan 8.210 nan 0.000 0.421 545 D N 6.855 127.203 120.400 -0.086 0.000 2.608 545 D HA 0.227 4.866 4.640 -0.002 0.000 0.224 545 D C 1.094 177.343 176.300 -0.084 0.000 1.123 545 D CA 0.314 54.248 54.000 -0.110 0.000 1.030 545 D CB 1.139 41.889 40.800 -0.084 0.000 1.093 545 D HN 0.714 nan 8.370 nan 0.000 0.497 546 A N 2.390 125.155 122.820 -0.092 0.000 1.917 546 A HA -0.200 4.119 4.320 -0.002 0.000 0.219 546 A C 2.317 179.863 177.584 -0.063 0.000 1.182 546 A CA 1.387 53.381 52.037 -0.072 0.000 0.633 546 A CB -0.432 18.517 19.000 -0.086 0.000 0.819 546 A HN 0.440 nan 8.150 nan 0.000 0.448 547 V N 0.131 119.999 119.914 -0.075 0.000 2.287 547 V HA -0.298 3.821 4.120 -0.002 0.000 0.248 547 V C 2.542 178.607 176.094 -0.047 0.000 1.053 547 V CA 2.481 64.745 62.300 -0.060 0.000 1.027 547 V CB -0.694 31.087 31.823 -0.069 0.000 0.646 547 V HN 0.712 nan 8.190 nan 0.000 0.447 548 K N 0.062 120.433 120.400 -0.049 0.000 2.026 548 K HA -0.141 4.178 4.320 -0.002 0.000 0.208 548 K C 2.139 178.722 176.600 -0.028 0.000 1.048 548 K CA 1.771 58.037 56.287 -0.034 0.000 0.929 548 K CB -0.245 32.236 32.500 -0.032 0.000 0.713 548 K HN 0.410 nan 8.250 nan 0.000 0.439 549 I N 1.069 121.621 120.570 -0.029 0.000 2.208 549 I HA -0.268 3.901 4.170 -0.002 0.000 0.245 549 I C 2.508 178.610 176.117 -0.025 0.000 1.097 549 I CA 1.214 62.501 61.300 -0.022 0.000 1.363 549 I CB -0.419 37.569 38.000 -0.019 0.000 1.051 549 I HN 0.285 nan 8.210 nan 0.000 0.413 550 A N 0.404 123.206 122.820 -0.030 0.000 1.898 550 A HA -0.178 4.141 4.320 -0.002 0.000 0.216 550 A C 2.384 179.950 177.584 -0.030 0.000 1.181 550 A CA 2.344 54.363 52.037 -0.031 0.000 0.620 550 A CB -0.977 18.004 19.000 -0.032 0.000 0.819 550 A HN 0.376 nan 8.150 nan 0.000 0.442 551 T N 0.286 114.823 114.554 -0.027 0.000 2.737 551 T HA -0.109 4.240 4.350 -0.002 0.000 0.265 551 T C 1.505 176.192 174.700 -0.023 0.000 1.038 551 T CA 1.366 63.452 62.100 -0.024 0.000 1.144 551 T CB -0.407 68.449 68.868 -0.021 0.000 0.866 551 T HN 0.470 nan 8.240 nan 0.000 0.434 552 D N 1.483 121.871 120.400 -0.021 0.000 2.123 552 D HA -0.100 4.539 4.640 -0.002 0.000 0.196 552 D C 2.228 178.515 176.300 -0.022 0.000 0.992 552 D CA 1.375 55.364 54.000 -0.018 0.000 0.833 552 D CB -0.510 40.281 40.800 -0.014 0.000 0.954 552 D HN 0.446 nan 8.370 nan 0.000 0.455 553 V N -2.528 117.370 119.914 -0.026 0.000 3.510 553 V HA 0.317 4.436 4.120 -0.002 0.000 0.270 553 V C 1.529 177.598 176.094 -0.040 0.000 1.201 553 V CA 0.852 63.132 62.300 -0.033 0.000 1.166 553 V CB -0.431 31.370 31.823 -0.037 0.000 0.825 553 V HN 0.271 nan 8.190 nan 0.000 0.484 554 G N 0.672 109.451 108.800 -0.036 0.000 2.143 554 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.249 554 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.249 554 G C 0.385 175.258 174.900 -0.044 0.000 0.981 554 G CA 0.409 45.486 45.100 -0.038 0.000 0.665 554 G HN 0.564 nan 8.290 nan 0.000 0.528 555 L N 0.434 121.629 121.223 -0.047 0.000 2.737 555 L HA 0.305 4.644 4.340 -0.002 0.000 0.246 555 L C 2.336 179.185 176.870 -0.036 0.000 1.153 555 L CA 0.841 55.651 54.840 -0.051 0.000 0.920 555 L CB -0.554 41.473 42.059 -0.053 0.000 1.090 555 L HN 0.911 nan 8.230 nan 0.000 0.430 556 G N 0.017 108.799 108.800 -0.030 0.000 2.270 556 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.268 556 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.268 556 G C 0.964 175.853 174.900 -0.020 0.000 0.982 556 G CA 0.259 45.345 45.100 -0.022 0.000 0.628 556 G HN 0.738 nan 8.290 nan 0.000 0.544 557 G N -1.496 107.290 108.800 -0.023 0.000 2.205 557 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.180 557 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.180 557 G C 0.255 175.142 174.900 -0.022 0.000 1.004 557 G CA 0.513 45.599 45.100 -0.023 0.000 0.670 557 G HN 0.890 nan 8.290 nan 0.000 0.496 558 R N 0.916 121.406 120.500 -0.017 0.000 2.421 558 R HA 0.383 4.722 4.340 -0.002 0.000 0.305 558 R C 1.973 178.264 176.300 -0.015 0.000 1.039 558 R CA 0.424 56.519 56.100 -0.009 0.000 1.003 558 R CB 0.347 30.648 30.300 0.002 0.000 0.959 558 R HN 0.592 nan 8.270 nan 0.000 0.427 559 I N 0.644 121.202 120.570 -0.021 0.000 3.251 559 I HA -0.125 4.044 4.170 -0.002 0.000 0.277 559 I C 1.366 177.457 176.117 -0.044 0.000 1.268 559 I CA 0.572 61.846 61.300 -0.042 0.000 1.449 559 I CB -0.265 37.695 38.000 -0.067 0.000 1.083 559 I HN 0.505 nan 8.210 nan 0.000 0.464 560 N N 2.281 120.976 118.700 -0.008 0.000 2.060 560 N HA -0.332 4.407 4.740 -0.002 0.000 0.195 560 N C 1.733 177.263 175.510 0.035 0.000 1.028 560 N CA 2.378 55.437 53.050 0.015 0.000 0.861 560 N CB -0.661 37.854 38.487 0.048 0.000 1.029 560 N HN 0.377 nan 8.380 nan 0.000 0.428 561 M N -0.591 119.035 119.600 0.044 0.000 2.254 561 M HA 0.164 4.643 4.480 -0.002 0.000 0.265 561 M C 1.330 177.660 176.300 0.051 0.000 1.066 561 M CA 1.091 56.429 55.300 0.063 0.000 1.123 561 M CB -0.273 32.354 32.600 0.045 0.000 1.388 561 M HN 0.240 nan 8.290 nan 0.000 0.425 562 I N -0.345 120.234 120.570 0.015 0.000 2.202 562 I HA -0.237 3.932 4.170 -0.002 0.000 0.242 562 I C 1.996 178.128 176.117 0.026 0.000 1.091 562 I CA 1.217 62.524 61.300 0.011 0.000 1.368 562 I CB -0.681 37.308 38.000 -0.019 0.000 1.058 562 I HN 0.251 nan 8.210 nan 0.000 0.410 563 M N -0.529 119.054 119.600 -0.028 0.000 2.319 563 M HA -0.132 4.347 4.480 -0.002 0.000 0.265 563 M C 2.241 178.647 176.300 0.177 0.000 1.068 563 M CA 1.255 56.536 55.300 -0.032 0.000 1.118 563 M CB -1.293 31.017 32.600 -0.482 0.000 1.395 563 M HN 0.273 nan 8.290 nan 0.000 0.435 564 Q N 0.616 120.524 119.800 0.179 0.000 2.046 564 Q HA -0.091 4.248 4.340 -0.002 0.000 0.200 564 Q C 1.799 178.058 176.000 0.431 0.000 0.975 564 Q CA 2.414 58.406 55.803 0.315 0.000 0.836 564 Q CB -0.450 28.447 28.738 0.266 0.000 0.896 564 Q HN 0.458 nan 8.270 nan 0.000 0.428 565 T N 0.592 115.304 114.554 0.264 0.000 2.720 565 T HA -0.161 4.188 4.350 -0.002 0.000 0.268 565 T C 1.759 176.569 174.700 0.184 0.000 1.037 565 T CA 1.466 63.685 62.100 0.199 0.000 1.144 565 T CB -0.735 68.182 68.868 0.083 0.000 0.864 565 T HN 0.489 nan 8.240 nan 0.000 0.444 566 A N 1.341 124.269 122.820 0.181 0.000 1.917 566 A HA -0.119 4.200 4.320 -0.002 0.000 0.219 566 A C 2.015 179.698 177.584 0.165 0.000 1.182 566 A CA 1.824 53.961 52.037 0.166 0.000 0.633 566 A CB -1.032 18.096 19.000 0.214 0.000 0.819 566 A HN 0.515 nan 8.150 nan 0.000 0.448 567 F N -0.410 119.601 119.950 0.101 0.000 2.051 567 F HA -0.136 4.390 4.527 -0.002 0.000 0.296 567 F C 1.867 177.489 175.800 -0.297 0.000 1.122 567 F CA 1.704 59.596 58.000 -0.181 0.000 1.201 567 F CB -0.668 38.319 39.000 -0.022 0.000 0.978 567 F HN 0.178 nan 8.300 nan 0.000 0.472 568 F N 0.908 120.637 119.950 -0.368 0.000 2.307 568 F HA -0.133 4.393 4.527 -0.002 0.000 0.301 568 F C 2.501 178.044 175.800 -0.427 0.000 1.076 568 F CA 1.851 59.552 58.000 -0.498 0.000 1.383 568 F CB -0.553 38.323 39.000 -0.207 0.000 1.055 568 F HN 0.054 nan 8.300 nan 0.000 0.526 569 K N -0.407 119.907 120.400 -0.143 0.000 2.168 569 K HA 0.019 4.338 4.320 -0.002 0.000 0.201 569 K C 1.506 178.036 176.600 -0.115 0.000 1.049 569 K CA 0.650 56.871 56.287 -0.109 0.000 0.974 569 K CB 0.237 32.721 32.500 -0.027 0.000 0.792 569 K HN 0.119 nan 8.250 nan 0.000 0.463 570 L N 0.390 121.495 121.223 -0.197 0.000 2.590 570 L HA 0.254 4.593 4.340 -0.002 0.000 0.227 570 L C 2.130 178.869 176.870 -0.218 0.000 1.099 570 L CA 0.668 55.401 54.840 -0.178 0.000 0.872 570 L CB -0.424 41.499 42.059 -0.226 0.000 1.088 570 L HN 0.140 nan 8.230 nan 0.000 0.479 571 A N 0.296 122.782 122.820 -0.557 0.000 1.969 571 A HA 0.175 4.494 4.320 -0.002 0.000 0.218 571 A C 1.904 179.304 177.584 -0.307 0.000 1.169 571 A CA 1.368 53.025 52.037 -0.633 0.000 0.635 571 A CB -0.484 17.834 19.000 -1.136 0.000 0.810 571 A HN 0.512 nan 8.150 nan 0.000 0.445 572 G N -1.578 107.047 108.800 -0.292 0.000 2.148 572 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.254 572 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.254 572 G C 1.149 175.955 174.900 -0.158 0.000 0.981 572 G CA 1.017 46.026 45.100 -0.151 0.000 0.670 572 G HN 1.590 nan 8.290 nan 0.000 0.528 573 V N -2.601 117.138 119.914 -0.291 0.000 2.548 573 V HA 0.521 4.640 4.120 -0.002 0.000 0.249 573 V C 1.200 177.183 176.094 -0.184 0.000 1.055 573 V CA 1.620 63.769 62.300 -0.252 0.000 1.065 573 V CB -0.182 31.340 31.823 -0.503 0.000 0.681 573 V HN 0.485 nan 8.190 nan 0.000 0.462 574 L N 0.505 121.613 121.223 -0.192 0.000 2.376 574 L HA 0.560 4.899 4.340 -0.002 0.000 0.258 574 L C -2.629 174.206 176.870 -0.058 0.000 1.013 574 L CA -2.043 52.739 54.840 -0.098 0.000 0.822 574 L CB 2.537 44.550 42.059 -0.076 0.000 1.388 574 L HN -0.028 nan 8.230 nan 0.000 0.413 575 P HA -0.001 nan 4.420 nan 0.000 0.271 575 P C 0.659 178.003 177.300 0.073 0.000 1.216 575 P CA -0.152 62.972 63.100 0.040 0.000 0.771 575 P CB 0.787 32.513 31.700 0.043 0.000 0.864 576 F N 3.636 123.566 119.950 -0.033 0.000 2.039 576 F HA -0.336 4.190 4.527 -0.002 0.000 0.296 576 F C 2.056 177.841 175.800 -0.026 0.000 1.119 576 F CA 2.180 60.163 58.000 -0.027 0.000 1.211 576 F CB -0.467 38.522 39.000 -0.019 0.000 0.956 576 F HN 0.302 nan 8.300 nan 0.000 0.496 577 E N 0.617 121.036 120.200 0.364 0.000 2.019 577 E HA -0.337 4.012 4.350 -0.002 0.000 0.208 577 E C 2.249 178.849 176.600 0.001 0.000 1.030 577 E CA 1.993 58.514 56.400 0.201 0.000 0.856 577 E CB -0.982 28.808 29.700 0.151 0.000 0.781 577 E HN 0.508 nan 8.360 nan 0.000 0.471 578 K N 0.612 121.011 120.400 -0.002 0.000 2.103 578 K HA -0.146 4.173 4.320 -0.002 0.000 0.207 578 K C 2.140 178.687 176.600 -0.089 0.000 1.048 578 K CA 1.333 57.596 56.287 -0.040 0.000 0.930 578 K CB -0.148 32.341 32.500 -0.018 0.000 0.716 578 K HN 0.123 nan 8.250 nan 0.000 0.444 579 A N 0.649 123.412 122.820 -0.096 0.000 1.873 579 A HA -0.164 4.155 4.320 -0.002 0.000 0.218 579 A C 2.219 179.643 177.584 -0.267 0.000 1.193 579 A CA 2.072 54.048 52.037 -0.102 0.000 0.629 579 A CB -0.809 18.135 19.000 -0.092 0.000 0.826 579 A HN 0.192 nan 8.150 nan 0.000 0.447 580 V N 0.581 120.276 119.914 -0.365 0.000 2.667 580 V HA -0.183 3.936 4.120 -0.002 0.000 0.252 580 V C 2.285 178.210 176.094 -0.283 0.000 1.065 580 V CA 2.056 64.120 62.300 -0.393 0.000 1.083 580 V CB -0.787 30.736 31.823 -0.501 0.000 0.692 580 V HN 0.681 nan 8.190 nan 0.000 0.468 581 D N 0.723 120.996 120.400 -0.212 0.000 2.077 581 D HA -0.171 4.469 4.640 -0.002 0.000 0.193 581 D C 1.947 178.141 176.300 -0.176 0.000 0.989 581 D CA 1.623 55.531 54.000 -0.154 0.000 0.831 581 D CB -0.191 40.547 40.800 -0.103 0.000 0.979 581 D HN 0.220 nan 8.370 nan 0.000 0.449 582 L N 0.352 121.463 121.223 -0.188 0.000 2.013 582 L HA -0.150 4.189 4.340 -0.002 0.000 0.212 582 L C 2.614 179.325 176.870 -0.264 0.000 1.073 582 L CA 1.144 55.873 54.840 -0.186 0.000 0.753 582 L CB -1.312 40.660 42.059 -0.146 0.000 0.890 582 L HN 0.209 nan 8.230 nan 0.000 0.432 583 L N -0.531 120.404 121.223 -0.479 0.000 2.013 583 L HA -0.260 4.079 4.340 -0.002 0.000 0.212 583 L C 2.455 179.192 176.870 -0.221 0.000 1.073 583 L CA 1.906 56.431 54.840 -0.526 0.000 0.753 583 L CB -0.612 40.998 42.059 -0.748 0.000 0.890 583 L HN 0.238 nan 8.230 nan 0.000 0.432 584 K N -0.691 119.609 120.400 -0.168 0.000 2.031 584 K HA -0.146 4.173 4.320 -0.002 0.000 0.205 584 K C 2.110 178.721 176.600 0.019 0.000 1.049 584 K CA 1.510 57.773 56.287 -0.041 0.000 0.939 584 K CB -0.195 32.270 32.500 -0.059 0.000 0.717 584 K HN 0.310 nan 8.250 nan 0.000 0.438 585 K N 0.847 121.200 120.400 -0.080 0.000 2.103 585 K HA -0.141 4.178 4.320 -0.002 0.000 0.207 585 K C 2.334 178.939 176.600 0.008 0.000 1.048 585 K CA 1.845 58.083 56.287 -0.083 0.000 0.930 585 K CB -0.131 32.309 32.500 -0.100 0.000 0.716 585 K HN 0.196 nan 8.250 nan 0.000 0.444 586 S N 0.900 116.594 115.700 -0.010 0.000 2.406 586 S HA -0.051 4.418 4.470 -0.002 0.000 0.228 586 S C 1.981 176.619 174.600 0.063 0.000 1.020 586 S CA 0.583 58.787 58.200 0.006 0.000 0.965 586 S CB -0.427 62.754 63.200 -0.033 0.000 0.798 586 S HN 0.190 nan 8.310 nan 0.000 0.488 587 I N 1.276 121.918 120.570 0.120 0.000 2.361 587 I HA -0.181 3.988 4.170 -0.002 0.000 0.251 587 I C 2.514 178.749 176.117 0.196 0.000 1.133 587 I CA 1.556 62.981 61.300 0.208 0.000 1.413 587 I CB -0.446 37.658 38.000 0.175 0.000 1.073 587 I HN 0.329 nan 8.210 nan 0.000 0.424 588 H N 0.281 119.381 119.070 0.050 0.000 2.372 588 H HA -0.081 4.474 4.556 -0.002 0.000 0.301 588 H C 2.180 177.524 175.328 0.026 0.000 1.065 588 H CA 1.133 57.204 56.048 0.037 0.000 1.364 588 H CB -0.078 29.687 29.762 0.006 0.000 1.406 588 H HN 0.155 nan 8.280 nan 0.000 0.521 589 K N 0.743 121.223 120.400 0.132 0.000 1.978 589 K HA -0.087 4.232 4.320 -0.002 0.000 0.214 589 K C 1.295 177.903 176.600 0.013 0.000 1.049 589 K CA 1.104 57.420 56.287 0.050 0.000 0.939 589 K CB -0.171 32.339 32.500 0.017 0.000 0.721 589 K HN 0.244 nan 8.250 nan 0.000 0.441 590 A N -0.416 122.391 122.820 -0.023 0.000 2.296 590 A HA 0.234 4.553 4.320 -0.002 0.000 0.276 590 A C 0.098 177.656 177.584 -0.044 0.000 1.356 590 A CA 0.203 52.162 52.037 -0.130 0.000 0.825 590 A CB -0.467 18.345 19.000 -0.313 0.000 1.308 590 A HN 0.465 nan 8.150 nan 0.000 0.515 591 Y N -1.598 118.682 120.300 -0.033 0.000 2.767 591 Y HA -0.360 4.189 4.550 -0.002 0.000 0.473 591 Y C 2.097 177.965 175.900 -0.053 0.000 1.106 591 Y CA 2.080 60.151 58.100 -0.049 0.000 2.834 591 Y CB -1.810 36.609 38.460 -0.068 0.000 1.131 591 Y HN 1.997 nan 8.280 nan 0.000 0.614 592 G N 0.856 109.738 108.800 0.137 0.000 2.309 592 G HA2 -0.416 3.543 3.960 -0.002 0.000 0.286 592 G HA3 -0.416 3.543 3.960 -0.002 0.000 0.286 592 G C 0.847 175.761 174.900 0.023 0.000 1.002 592 G CA 1.714 46.831 45.100 0.028 0.000 0.786 592 G HN 0.898 nan 8.290 nan 0.000 0.511 593 K N -0.323 120.102 120.400 0.043 0.000 2.165 593 K HA 0.211 4.530 4.320 -0.002 0.000 0.213 593 K C 1.325 177.927 176.600 0.003 0.000 1.036 593 K CA 0.213 56.514 56.287 0.023 0.000 0.981 593 K CB -0.004 32.518 32.500 0.038 0.000 1.059 593 K HN 0.093 nan 8.250 nan 0.000 0.457 594 K N 2.163 122.564 120.400 0.001 0.000 2.079 594 K HA 0.050 4.369 4.320 -0.002 0.000 0.255 594 K C -0.025 176.558 176.600 -0.029 0.000 1.114 594 K CA 0.522 56.800 56.287 -0.015 0.000 1.056 594 K CB -1.080 31.410 32.500 -0.016 0.000 1.176 594 K HN 0.657 nan 8.250 nan 0.000 0.353 595 G N 2.640 111.424 108.800 -0.027 0.000 2.726 595 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.261 595 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.261 595 G C 0.289 175.158 174.900 -0.053 0.000 1.352 595 G CA -0.111 44.968 45.100 -0.034 0.000 0.906 595 G HN 0.678 nan 8.290 nan 0.000 0.566 596 E N -0.138 120.028 120.200 -0.056 0.000 2.442 596 E HA -0.010 4.339 4.350 -0.002 0.000 0.195 596 E C 2.304 178.850 176.600 -0.090 0.000 1.030 596 E CA 0.673 57.025 56.400 -0.080 0.000 0.869 596 E CB 0.025 29.690 29.700 -0.057 0.000 0.857 596 E HN 0.623 nan 8.360 nan 0.000 0.505 597 K N 1.146 121.503 120.400 -0.073 0.000 2.074 597 K HA -0.136 4.183 4.320 -0.002 0.000 0.209 597 K C 1.972 178.509 176.600 -0.105 0.000 1.048 597 K CA 1.160 57.402 56.287 -0.074 0.000 0.926 597 K CB -0.029 32.436 32.500 -0.058 0.000 0.713 597 K HN 0.075 nan 8.250 nan 0.000 0.444 598 I N 0.384 120.879 120.570 -0.125 0.000 2.406 598 I HA -0.184 3.985 4.170 -0.002 0.000 0.249 598 I C 2.069 178.023 176.117 -0.272 0.000 1.122 598 I CA 0.436 61.622 61.300 -0.189 0.000 1.431 598 I CB 0.045 37.938 38.000 -0.178 0.000 1.087 598 I HN -0.035 nan 8.210 nan 0.000 0.424 599 V N 1.127 120.901 119.914 -0.233 0.000 2.515 599 V HA -0.245 3.874 4.120 -0.002 0.000 0.250 599 V C 2.461 178.412 176.094 -0.237 0.000 1.058 599 V CA 1.671 63.804 62.300 -0.278 0.000 1.064 599 V CB -0.658 30.984 31.823 -0.301 0.000 0.675 599 V HN 0.329 nan 8.190 nan 0.000 0.461 600 K N 0.360 120.659 120.400 -0.168 0.000 2.116 600 K HA 0.001 4.320 4.320 -0.002 0.000 0.203 600 K C 2.018 178.556 176.600 -0.104 0.000 1.052 600 K CA 1.450 57.672 56.287 -0.110 0.000 0.952 600 K CB -0.358 32.097 32.500 -0.075 0.000 0.729 600 K HN 0.395 nan 8.250 nan 0.000 0.446 601 M N 0.277 119.800 119.600 -0.128 0.000 2.080 601 M HA -0.175 4.304 4.480 -0.002 0.000 0.260 601 M C 1.593 177.821 176.300 -0.120 0.000 1.068 601 M CA 2.038 57.269 55.300 -0.115 0.000 1.109 601 M CB -0.611 31.912 32.600 -0.130 0.000 1.342 601 M HN 0.126 nan 8.290 nan 0.000 0.405 602 N N -0.133 118.460 118.700 -0.178 0.000 2.188 602 N HA -0.101 4.638 4.740 -0.002 0.000 0.184 602 N C 1.616 177.079 175.510 -0.078 0.000 1.018 602 N CA 1.773 54.733 53.050 -0.150 0.000 0.858 602 N CB -0.480 37.857 38.487 -0.249 0.000 0.989 602 N HN 0.274 nan 8.380 nan 0.000 0.426 603 T N 0.747 115.256 114.554 -0.074 0.000 2.746 603 T HA -0.109 4.240 4.350 -0.002 0.000 0.267 603 T C 0.948 175.635 174.700 -0.022 0.000 1.039 603 T CA 1.349 63.434 62.100 -0.025 0.000 1.142 603 T CB -0.347 68.522 68.868 0.002 0.000 0.866 603 T HN 0.225 nan 8.240 nan 0.000 0.444 604 D N 1.402 121.783 120.400 -0.033 0.000 2.117 604 D HA 0.020 4.659 4.640 -0.002 0.000 0.197 604 D C 2.380 178.668 176.300 -0.020 0.000 0.987 604 D CA 1.160 55.146 54.000 -0.023 0.000 0.829 604 D CB -0.630 40.153 40.800 -0.029 0.000 0.961 604 D HN 0.387 nan 8.370 nan 0.000 0.460 605 A N 0.703 123.505 122.820 -0.030 0.000 1.917 605 A HA -0.192 4.127 4.320 -0.002 0.000 0.219 605 A C 2.507 180.086 177.584 -0.008 0.000 1.182 605 A CA 1.592 53.616 52.037 -0.022 0.000 0.633 605 A CB -0.824 18.158 19.000 -0.030 0.000 0.819 605 A HN 0.166 nan 8.150 nan 0.000 0.448 606 V N 0.499 120.406 119.914 -0.011 0.000 2.295 606 V HA -0.243 3.876 4.120 -0.002 0.000 0.246 606 V C 2.226 178.318 176.094 -0.003 0.000 1.049 606 V CA 2.252 64.545 62.300 -0.011 0.000 1.024 606 V CB -0.901 30.902 31.823 -0.033 0.000 0.648 606 V HN 0.495 nan 8.190 nan 0.000 0.447 607 D N -0.341 120.059 120.400 0.000 0.000 2.104 607 D HA -0.223 4.416 4.640 -0.002 0.000 0.194 607 D C 2.195 178.511 176.300 0.027 0.000 0.994 607 D CA 1.716 55.726 54.000 0.017 0.000 0.830 607 D CB -0.281 40.527 40.800 0.013 0.000 0.959 607 D HN 0.443 nan 8.370 nan 0.000 0.452 608 Q N 0.712 120.522 119.800 0.016 0.000 2.079 608 Q HA -0.024 4.315 4.340 -0.002 0.000 0.200 608 Q C 1.898 177.915 176.000 0.029 0.000 0.974 608 Q CA 1.865 57.679 55.803 0.019 0.000 0.840 608 Q CB -0.484 28.258 28.738 0.007 0.000 0.898 608 Q HN 0.190 nan 8.270 nan 0.000 0.430 609 A N -0.410 122.426 122.820 0.026 0.000 1.865 609 A HA -0.171 4.148 4.320 -0.002 0.000 0.217 609 A C 2.286 179.906 177.584 0.061 0.000 1.191 609 A CA 1.893 53.952 52.037 0.037 0.000 0.623 609 A CB -1.134 17.885 19.000 0.033 0.000 0.826 609 A HN 0.269 nan 8.150 nan 0.000 0.444 610 V N -0.087 119.866 119.914 0.066 0.000 2.252 610 V HA -0.300 3.819 4.120 -0.002 0.000 0.249 610 V C 2.738 178.910 176.094 0.130 0.000 1.056 610 V CA 2.657 65.026 62.300 0.115 0.000 1.022 610 V CB -1.509 30.396 31.823 0.137 0.000 0.641 610 V HN 0.631 nan 8.190 nan 0.000 0.445 611 T N -0.410 114.201 114.554 0.096 0.000 2.788 611 T HA -0.162 4.187 4.350 -0.002 0.000 0.268 611 T C 2.074 176.816 174.700 0.070 0.000 1.044 611 T CA 1.785 63.931 62.100 0.077 0.000 1.139 611 T CB -0.229 68.670 68.868 0.052 0.000 0.867 611 T HN 0.524 nan 8.240 nan 0.000 0.454 612 S N 0.787 116.527 115.700 0.066 0.000 2.395 612 S HA 0.151 4.620 4.470 -0.002 0.000 0.225 612 S C 0.804 175.460 174.600 0.094 0.000 1.027 612 S CA 0.237 58.474 58.200 0.062 0.000 0.965 612 S CB -0.172 63.054 63.200 0.043 0.000 0.812 612 S HN 0.241 nan 8.310 nan 0.000 0.482 613 L N 3.764 125.061 121.223 0.124 0.000 2.652 613 L HA 0.162 4.501 4.340 -0.002 0.000 0.284 613 L C -0.120 176.927 176.870 0.295 0.000 1.204 613 L CA 1.042 56.005 54.840 0.204 0.000 1.105 613 L CB -1.203 40.948 42.059 0.154 0.000 1.393 613 L HN 0.309 nan 8.230 nan 0.000 0.452 614 Q N 1.772 121.715 119.800 0.238 0.000 2.340 614 Q HA 0.222 4.561 4.340 -0.002 0.000 0.268 614 Q C -0.179 175.738 176.000 -0.139 0.000 1.031 614 Q CA -0.586 55.285 55.803 0.113 0.000 0.804 614 Q CB 2.300 31.056 28.738 0.030 0.000 1.286 614 Q HN 0.412 nan 8.270 nan 0.000 0.448 615 E N 2.808 122.736 120.200 -0.453 0.000 2.614 615 E HA -0.089 4.260 4.350 -0.002 0.000 0.245 615 E C -0.890 175.475 176.600 -0.392 0.000 1.039 615 E CA -0.018 55.856 56.400 -0.876 0.000 0.948 615 E CB 0.187 29.541 29.700 -0.576 0.000 0.937 615 E HN 0.361 nan 8.360 nan 0.000 0.498 616 F N 5.583 125.253 119.950 -0.467 0.000 2.571 616 F HA 0.055 4.581 4.527 -0.002 0.000 0.384 616 F C 0.055 175.778 175.800 -0.129 0.000 1.058 616 F CA -0.097 57.760 58.000 -0.240 0.000 1.200 616 F CB 0.432 39.240 39.000 -0.319 0.000 1.077 616 F HN 0.230 nan 8.300 nan 0.000 0.558 617 K N 8.000 128.014 120.400 -0.644 0.000 2.262 617 K HA 0.128 4.447 4.320 -0.002 0.000 0.282 617 K C -1.077 175.110 176.600 -0.689 0.000 1.066 617 K CA -0.226 55.701 56.287 -0.599 0.000 0.901 617 K CB 0.526 32.742 32.500 -0.474 0.000 1.089 617 K HN 0.633 nan 8.250 nan 0.000 0.476 618 Y N 1.314 121.353 120.300 -0.436 0.000 2.446 618 Y HA 0.600 5.149 4.550 -0.002 0.000 0.338 618 Y C -2.157 173.387 175.900 -0.593 0.000 1.055 618 Y CA -3.169 54.505 58.100 -0.712 0.000 1.101 618 Y CB -0.069 37.699 38.460 -1.155 0.000 1.221 618 Y HN 0.403 nan 8.280 nan 0.000 0.460 619 P HA 0.034 nan 4.420 nan 0.000 0.272 619 P C -0.383 176.881 177.300 -0.060 0.000 1.240 619 P CA 0.013 62.979 63.100 -0.223 0.000 0.791 619 P CB 1.401 33.026 31.700 -0.125 0.000 0.978 620 D N -0.240 120.169 120.400 0.016 0.000 2.277 620 D HA -0.133 4.506 4.640 -0.002 0.000 0.208 620 D C 1.844 178.238 176.300 0.157 0.000 0.962 620 D CA 1.260 55.318 54.000 0.096 0.000 0.865 620 D CB -0.123 40.708 40.800 0.052 0.000 0.939 620 D HN 0.336 nan 8.370 nan 0.000 0.510 621 S N -0.782 115.014 115.700 0.159 0.000 2.440 621 S HA -0.191 4.278 4.470 -0.002 0.000 0.238 621 S C 1.767 176.550 174.600 0.304 0.000 1.010 621 S CA 0.464 58.781 58.200 0.196 0.000 0.972 621 S CB -0.893 62.417 63.200 0.185 0.000 0.774 621 S HN 0.359 nan 8.310 nan 0.000 0.501 622 W N 2.603 123.949 121.300 0.077 0.000 2.350 622 W HA 0.058 4.717 4.660 -0.002 0.000 0.289 622 W C 2.303 178.827 176.519 0.007 0.000 1.215 622 W CA 0.382 57.752 57.345 0.041 0.000 1.236 622 W CB -0.664 28.825 29.460 0.048 0.000 1.130 622 W HN 0.358 nan 8.180 nan 0.000 0.541 623 K N -0.376 120.178 120.400 0.256 0.000 2.144 623 K HA -0.216 4.103 4.320 -0.002 0.000 0.209 623 K C 0.114 176.758 176.600 0.074 0.000 1.047 623 K CA 1.935 58.304 56.287 0.138 0.000 0.927 623 K CB -0.568 32.002 32.500 0.118 0.000 0.716 623 K HN 0.282 nan 8.250 nan 0.000 0.454 624 D N -1.157 119.287 120.400 0.073 0.000 2.886 624 D HA 0.297 4.936 4.640 -0.002 0.000 0.355 624 D C -0.765 175.544 176.300 0.016 0.000 1.274 624 D CA -0.481 53.538 54.000 0.031 0.000 0.836 624 D CB 0.772 41.590 40.800 0.031 0.000 1.109 624 D HN 0.086 nan 8.370 nan 0.000 0.488 625 A N 1.901 124.712 122.820 -0.013 0.000 2.425 625 A HA 0.482 4.801 4.320 -0.002 0.000 0.242 625 A C -1.847 175.700 177.584 -0.062 0.000 1.077 625 A CA -1.088 50.916 52.037 -0.054 0.000 0.781 625 A CB -0.034 18.870 19.000 -0.160 0.000 1.020 625 A HN 0.353 nan 8.150 nan 0.000 0.494 626 P HA 0.256 nan 4.420 nan 0.000 0.271 626 P C -0.170 177.085 177.300 -0.074 0.000 1.233 626 P CA 0.277 63.344 63.100 -0.055 0.000 0.764 626 P CB 0.560 32.233 31.700 -0.045 0.000 0.825 627 A N 4.184 126.965 122.820 -0.065 0.000 2.511 627 A HA 0.126 4.445 4.320 -0.002 0.000 0.242 627 A C 1.011 178.553 177.584 -0.071 0.000 1.069 627 A CA -0.350 51.643 52.037 -0.072 0.000 0.763 627 A CB -0.227 18.738 19.000 -0.059 0.000 1.001 627 A HN 0.690 nan 8.150 nan 0.000 0.498 628 E N 1.387 121.538 120.200 -0.081 0.000 3.056 628 E HA 0.424 4.773 4.350 -0.002 0.000 0.275 628 E C -0.065 176.498 176.600 -0.061 0.000 1.468 628 E CA 0.058 56.413 56.400 -0.076 0.000 1.219 628 E CB 0.113 29.760 29.700 -0.087 0.000 1.119 628 E HN 0.626 nan 8.360 nan 0.000 0.710 629 T N -2.075 112.444 114.554 -0.057 0.000 2.916 629 T HA 0.318 4.667 4.350 -0.002 0.000 0.298 629 T C -0.676 173.997 174.700 -0.044 0.000 1.031 629 T CA -1.290 60.782 62.100 -0.047 0.000 0.993 629 T CB 1.207 70.050 68.868 -0.041 0.000 1.045 629 T HN 0.547 nan 8.240 nan 0.000 0.454 630 K N 1.619 121.996 120.400 -0.039 0.000 2.319 630 K HA 0.387 4.706 4.320 -0.002 0.000 0.277 630 K C 0.463 177.044 176.600 -0.031 0.000 1.111 630 K CA -0.265 56.001 56.287 -0.035 0.000 1.093 630 K CB -0.223 32.258 32.500 -0.032 0.000 0.910 630 K HN 0.669 nan 8.250 nan 0.000 0.452 631 A N 3.730 126.532 122.820 -0.031 0.000 3.003 631 A HA 0.093 4.412 4.320 -0.002 0.000 0.301 631 A C -0.655 176.918 177.584 -0.019 0.000 1.280 631 A CA -0.772 51.249 52.037 -0.027 0.000 0.973 631 A CB -0.317 18.665 19.000 -0.031 0.000 1.110 631 A HN 0.817 nan 8.150 nan 0.000 0.590 632 E N 0.357 120.548 120.200 -0.016 0.000 2.283 632 E HA 0.576 4.925 4.350 -0.002 0.000 0.278 632 E C -2.364 174.231 176.600 -0.009 0.000 1.027 632 E CA -1.752 54.645 56.400 -0.005 0.000 0.843 632 E CB -0.379 29.322 29.700 0.001 0.000 1.062 632 E HN 0.219 nan 8.360 nan 0.000 0.401 633 P HA 0.156 nan 4.420 nan 0.000 0.296 633 P C -0.777 176.501 177.300 -0.036 0.000 1.295 633 P CA -0.604 62.488 63.100 -0.014 0.000 0.754 633 P CB 0.292 31.990 31.700 -0.004 0.000 1.311 634 M N 0.516 120.087 119.600 -0.048 0.000 2.264 634 M HA 0.466 4.945 4.480 -0.002 0.000 0.352 634 M C -0.503 175.672 176.300 -0.208 0.000 1.173 634 M CA 0.185 55.432 55.300 -0.088 0.000 1.075 634 M CB 0.357 32.927 32.600 -0.050 0.000 1.621 634 M HN 0.555 nan 8.290 nan 0.000 0.457 635 T N 1.030 115.374 114.554 -0.350 0.000 2.754 635 T HA 0.608 4.957 4.350 -0.002 0.000 0.296 635 T C -0.241 174.093 174.700 -0.611 0.000 1.205 635 T CA -1.190 60.365 62.100 -0.909 0.000 1.009 635 T CB 0.659 68.963 68.868 -0.940 0.000 1.368 635 T HN 0.587 nan 8.240 nan 0.000 0.509 636 N N 0.789 119.031 118.700 -0.764 0.000 2.326 636 N HA 0.159 4.898 4.740 -0.002 0.000 0.239 636 N C 1.040 176.540 175.510 -0.016 0.000 1.301 636 N CA -0.275 52.686 53.050 -0.149 0.000 0.909 636 N CB 0.607 39.181 38.487 0.145 0.000 1.156 636 N HN 0.872 nan 8.380 nan 0.000 0.462 637 E N 0.054 120.288 120.200 0.057 0.000 2.158 637 E HA -0.049 4.300 4.350 -0.002 0.000 0.191 637 E C 1.461 178.111 176.600 0.083 0.000 0.982 637 E CA 0.864 57.293 56.400 0.047 0.000 0.823 637 E CB -0.221 29.507 29.700 0.047 0.000 0.766 637 E HN 0.574 nan 8.360 nan 0.000 0.468 638 F N -0.556 119.408 119.950 0.024 0.000 2.206 638 F HA -0.040 4.486 4.527 -0.002 0.000 0.298 638 F C 1.803 177.643 175.800 0.066 0.000 1.090 638 F CA 1.048 59.063 58.000 0.025 0.000 1.323 638 F CB -0.273 38.761 39.000 0.056 0.000 1.028 638 F HN 0.130 nan 8.300 nan 0.000 0.492 639 F N 1.196 121.201 119.950 0.091 0.000 2.146 639 F HA -0.120 4.406 4.527 -0.002 0.000 0.298 639 F C 2.510 178.252 175.800 -0.097 0.000 1.096 639 F CA 2.024 60.042 58.000 0.030 0.000 1.275 639 F CB -0.550 38.448 39.000 -0.004 0.000 1.008 639 F HN -0.102 nan 8.300 nan 0.000 0.480 640 K N -0.003 120.404 120.400 0.012 0.000 2.025 640 K HA -0.169 4.150 4.320 -0.002 0.000 0.207 640 K C 1.565 178.062 176.600 -0.172 0.000 1.049 640 K CA 1.809 58.054 56.287 -0.070 0.000 0.933 640 K CB -0.187 32.296 32.500 -0.029 0.000 0.714 640 K HN 0.249 nan 8.250 nan 0.000 0.438 641 N N -0.291 118.287 118.700 -0.204 0.000 2.424 641 N HA -0.033 4.707 4.740 -0.002 0.000 0.178 641 N C 1.350 176.634 175.510 -0.377 0.000 1.060 641 N CA 0.705 53.606 53.050 -0.248 0.000 0.901 641 N CB 0.812 39.178 38.487 -0.202 0.000 0.979 641 N HN 0.068 nan 8.380 nan 0.000 0.451 642 V N -0.573 119.006 119.914 -0.559 0.000 3.161 642 V HA 0.067 4.186 4.120 -0.002 0.000 0.221 642 V C 2.165 177.986 176.094 -0.455 0.000 1.296 642 V CA 0.225 62.133 62.300 -0.654 0.000 1.306 642 V CB -0.070 30.980 31.823 -1.287 0.000 1.171 642 V HN -0.154 nan 8.190 nan 0.000 0.513 643 V N 0.845 120.460 119.914 -0.499 0.000 2.237 643 V HA -0.250 3.869 4.120 -0.002 0.000 0.245 643 V C 2.452 178.259 176.094 -0.478 0.000 1.046 643 V CA 2.565 64.659 62.300 -0.342 0.000 1.007 643 V CB -0.727 30.931 31.823 -0.274 0.000 0.638 643 V HN 0.523 nan 8.190 nan 0.000 0.445 644 K N 0.933 120.851 120.400 -0.803 0.000 2.020 644 K HA -0.176 4.143 4.320 -0.002 0.000 0.212 644 K C -0.131 176.322 176.600 -0.245 0.000 1.050 644 K CA 2.217 58.162 56.287 -0.569 0.000 0.929 644 K CB -1.651 30.567 32.500 -0.469 0.000 0.714 644 K HN 0.361 nan 8.250 nan 0.000 0.443 645 P HA -0.135 nan 4.420 nan 0.000 0.215 645 P C 1.141 178.415 177.300 -0.043 0.000 1.153 645 P CA 1.459 64.496 63.100 -0.105 0.000 0.853 645 P CB -0.002 31.627 31.700 -0.119 0.000 0.788 646 I N -1.488 119.055 120.570 -0.045 0.000 2.252 646 I HA -0.202 3.967 4.170 -0.002 0.000 0.245 646 I C 2.147 178.294 176.117 0.050 0.000 1.102 646 I CA 1.302 62.620 61.300 0.029 0.000 1.385 646 I CB -0.648 37.397 38.000 0.074 0.000 1.064 646 I HN -0.107 nan 8.210 nan 0.000 0.414 647 L N 0.365 121.605 121.223 0.030 0.000 2.275 647 L HA -0.121 4.218 4.340 -0.002 0.000 0.215 647 L C 1.980 178.960 176.870 0.183 0.000 1.119 647 L CA 1.362 56.261 54.840 0.099 0.000 0.790 647 L CB -0.795 41.311 42.059 0.078 0.000 0.919 647 L HN 0.422 nan 8.230 nan 0.000 0.443 648 T N -3.956 110.675 114.554 0.127 0.000 3.251 648 T HA 0.179 4.528 4.350 -0.002 0.000 0.259 648 T C 0.593 175.428 174.700 0.224 0.000 0.998 648 T CA -0.395 61.828 62.100 0.205 0.000 0.905 648 T CB 0.193 69.101 68.868 0.067 0.000 1.067 648 T HN 0.384 nan 8.240 nan 0.000 0.569 649 Q N -0.015 119.882 119.800 0.163 0.000 2.503 649 Q HA -0.172 4.167 4.340 -0.002 0.000 0.267 649 Q C 0.231 176.277 176.000 0.077 0.000 1.030 649 Q CA 0.684 56.549 55.803 0.102 0.000 1.041 649 Q CB -1.436 27.378 28.738 0.126 0.000 1.406 649 Q HN 0.495 nan 8.270 nan 0.000 0.524 650 Q N -1.641 118.195 119.800 0.060 0.000 2.159 650 Q HA 0.185 4.524 4.340 -0.002 0.000 0.217 650 Q C 1.682 177.705 176.000 0.038 0.000 0.818 650 Q CA 0.801 56.628 55.803 0.040 0.000 1.008 650 Q CB 0.773 29.523 28.738 0.021 0.000 1.148 650 Q HN 0.460 nan 8.270 nan 0.000 0.491 651 G N 1.629 110.460 108.800 0.051 0.000 2.469 651 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.220 651 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.220 651 G C 1.086 176.044 174.900 0.097 0.000 1.136 651 G CA 0.769 45.921 45.100 0.088 0.000 0.759 651 G HN 0.291 nan 8.290 nan 0.000 0.562 652 D N 0.411 120.845 120.400 0.056 0.000 2.263 652 D HA -0.058 4.581 4.640 -0.002 0.000 0.208 652 D C 2.226 178.560 176.300 0.057 0.000 0.971 652 D CA 0.767 54.795 54.000 0.047 0.000 0.867 652 D CB 0.005 40.819 40.800 0.023 0.000 0.929 652 D HN 0.373 nan 8.370 nan 0.000 0.492 653 K N 0.080 120.510 120.400 0.050 0.000 2.418 653 K HA 0.094 4.413 4.320 -0.002 0.000 0.195 653 K C 0.764 177.390 176.600 0.043 0.000 1.035 653 K CA -0.041 56.268 56.287 0.036 0.000 1.003 653 K CB 0.429 32.939 32.500 0.017 0.000 0.793 653 K HN 0.093 nan 8.250 nan 0.000 0.494 654 L N 4.059 125.328 121.223 0.077 0.000 2.410 654 L HA 0.110 4.449 4.340 -0.002 0.000 0.273 654 L C -1.837 175.127 176.870 0.157 0.000 1.144 654 L CA -1.714 53.170 54.840 0.073 0.000 0.863 654 L CB 0.086 42.200 42.059 0.091 0.000 1.140 654 L HN -0.022 nan 8.230 nan 0.000 0.463 655 P HA 0.078 nan 4.420 nan 0.000 0.276 655 P C 0.917 178.337 177.300 0.201 0.000 1.261 655 P CA -0.532 62.632 63.100 0.107 0.000 0.800 655 P CB 1.305 33.027 31.700 0.036 0.000 1.066 656 V N 0.652 120.671 119.914 0.175 0.000 2.469 656 V HA -0.230 3.889 4.120 -0.002 0.000 0.251 656 V C 2.636 178.849 176.094 0.197 0.000 1.064 656 V CA 2.763 65.196 62.300 0.221 0.000 1.066 656 V CB -1.690 30.196 31.823 0.106 0.000 0.667 656 V HN 0.766 nan 8.190 nan 0.000 0.461 657 S N 0.775 116.522 115.700 0.079 0.000 2.507 657 S HA -0.036 4.433 4.470 -0.002 0.000 0.235 657 S C 1.864 176.425 174.600 -0.066 0.000 0.988 657 S CA 1.024 59.234 58.200 0.017 0.000 0.944 657 S CB -0.329 62.867 63.200 -0.008 0.000 0.762 657 S HN 0.582 nan 8.310 nan 0.000 0.526 658 A N 0.176 122.883 122.820 -0.189 0.000 2.167 658 A HA 0.429 4.748 4.320 -0.002 0.000 0.214 658 A C 0.356 177.516 177.584 -0.707 0.000 1.151 658 A CA 0.066 51.787 52.037 -0.527 0.000 0.735 658 A CB -0.364 18.149 19.000 -0.812 0.000 0.802 658 A HN 0.522 nan 8.150 nan 0.000 0.467 659 F N -0.142 119.805 119.950 -0.005 0.000 2.523 659 F HA 0.458 4.984 4.527 -0.002 0.000 0.329 659 F C 0.317 176.125 175.800 0.012 0.000 1.061 659 F CA -1.215 56.789 58.000 0.007 0.000 0.967 659 F CB 0.854 39.882 39.000 0.045 0.000 1.218 659 F HN -0.079 nan 8.300 nan 0.000 0.480 660 E N 0.679 121.003 120.200 0.206 0.000 2.338 660 E HA 0.218 4.567 4.350 -0.002 0.000 0.272 660 E C 0.720 177.407 176.600 0.146 0.000 1.029 660 E CA 0.026 56.506 56.400 0.132 0.000 0.872 660 E CB 1.477 31.241 29.700 0.106 0.000 1.015 660 E HN 0.774 nan 8.360 nan 0.000 0.417 661 A N 3.727 126.605 122.820 0.096 0.000 1.986 661 A HA -0.228 4.091 4.320 -0.002 0.000 0.220 661 A C 1.282 178.919 177.584 0.089 0.000 1.171 661 A CA 2.057 54.136 52.037 0.071 0.000 0.640 661 A CB -0.287 18.743 19.000 0.049 0.000 0.811 661 A HN 0.591 nan 8.150 nan 0.000 0.451 662 D N -2.644 117.826 120.400 0.116 0.000 2.342 662 D HA 0.316 4.955 4.640 -0.002 0.000 0.221 662 D C 1.107 177.533 176.300 0.211 0.000 1.101 662 D CA 0.729 54.815 54.000 0.142 0.000 0.837 662 D CB -0.619 40.249 40.800 0.114 0.000 0.938 662 D HN 0.751 nan 8.370 nan 0.000 0.508 663 G N 0.544 109.504 108.800 0.266 0.000 2.184 663 G HA2 -0.361 3.598 3.960 -0.002 0.000 0.264 663 G HA3 -0.361 3.598 3.960 -0.002 0.000 0.264 663 G C 0.364 175.505 174.900 0.401 0.000 0.975 663 G CA 0.035 45.367 45.100 0.388 0.000 0.642 663 G HN 0.462 nan 8.290 nan 0.000 0.536 664 R N -0.970 119.704 120.500 0.291 0.000 2.694 664 R HA 0.552 4.891 4.340 -0.002 0.000 0.268 664 R C -0.441 176.056 176.300 0.329 0.000 1.061 664 R CA 0.236 56.505 56.100 0.283 0.000 1.133 664 R CB 0.297 30.694 30.300 0.161 0.000 1.020 664 R HN 0.119 nan 8.270 nan 0.000 0.475 665 F N 1.486 121.487 119.950 0.086 0.000 2.577 665 F HA 0.410 4.936 4.527 -0.002 0.000 0.318 665 F C -1.647 174.104 175.800 -0.081 0.000 1.065 665 F CA -2.249 55.770 58.000 0.030 0.000 0.929 665 F CB 1.609 40.678 39.000 0.115 0.000 1.237 665 F HN 0.407 nan 8.300 nan 0.000 0.468 666 P HA 0.362 nan 4.420 nan 0.000 0.281 666 P C -1.047 176.256 177.300 0.005 0.000 1.249 666 P CA -0.395 62.610 63.100 -0.159 0.000 0.810 666 P CB 1.285 32.727 31.700 -0.431 0.000 1.008 667 L N 0.866 122.102 121.223 0.021 0.000 2.453 667 L HA 0.384 4.723 4.340 -0.002 0.000 0.261 667 L C 1.809 178.715 176.870 0.060 0.000 1.179 667 L CA 1.487 56.361 54.840 0.057 0.000 0.813 667 L CB -0.555 41.534 42.059 0.050 0.000 1.110 667 L HN 0.867 nan 8.230 nan 0.000 0.466 668 G N -0.436 108.397 108.800 0.055 0.000 2.148 668 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.254 668 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.254 668 G C 0.918 175.851 174.900 0.056 0.000 0.981 668 G CA 0.854 45.962 45.100 0.014 0.000 0.670 668 G HN 0.851 nan 8.290 nan 0.000 0.528 669 T N -1.364 113.315 114.554 0.207 0.000 2.962 669 T HA 0.024 4.373 4.350 -0.002 0.000 0.270 669 T C 2.580 177.476 174.700 0.326 0.000 1.088 669 T CA 1.961 64.304 62.100 0.406 0.000 1.127 669 T CB -0.357 68.853 68.868 0.570 0.000 0.883 669 T HN 1.369 nan 8.240 nan 0.000 0.493 670 S N 1.002 116.815 115.700 0.189 0.000 2.481 670 S HA -0.089 4.380 4.470 -0.002 0.000 0.231 670 S C 2.040 176.730 174.600 0.151 0.000 0.996 670 S CA 0.141 58.465 58.200 0.207 0.000 0.942 670 S CB -0.512 62.800 63.200 0.186 0.000 0.768 670 S HN 0.396 nan 8.310 nan 0.000 0.520 671 Q N 0.526 120.262 119.800 -0.107 0.000 2.234 671 Q HA -0.021 4.318 4.340 -0.002 0.000 0.206 671 Q C 0.978 176.646 176.000 -0.553 0.000 0.980 671 Q CA 1.267 56.882 55.803 -0.314 0.000 0.869 671 Q CB -0.463 27.823 28.738 -0.754 0.000 0.912 671 Q HN 0.857 nan 8.270 nan 0.000 0.436 672 F N -0.444 119.382 119.950 -0.206 0.000 2.695 672 F HA 0.177 4.703 4.527 -0.002 0.000 0.303 672 F C 1.854 177.449 175.800 -0.341 0.000 1.091 672 F CA -0.276 57.401 58.000 -0.540 0.000 1.300 672 F CB 0.288 38.435 39.000 -1.422 0.000 1.071 672 F HN 0.007 nan 8.300 nan 0.000 0.578 673 E N 0.823 121.082 120.200 0.098 0.000 2.047 673 E HA -0.126 4.223 4.350 -0.002 0.000 0.191 673 E C 0.477 177.141 176.600 0.107 0.000 0.987 673 E CA 0.555 57.099 56.400 0.240 0.000 0.799 673 E CB -0.013 29.843 29.700 0.259 0.000 0.752 673 E HN -0.021 nan 8.360 nan 0.000 0.449 674 K N 0.818 121.203 120.400 -0.026 0.000 3.540 674 K HA -0.273 4.046 4.320 -0.002 0.000 0.274 674 K C 0.531 177.128 176.600 -0.005 0.000 0.890 674 K CA 0.583 56.821 56.287 -0.081 0.000 0.701 674 K CB -1.189 31.265 32.500 -0.076 0.000 1.523 674 K HN 0.318 nan 8.250 nan 0.000 0.450 675 R N 0.150 120.665 120.500 0.024 0.000 2.091 675 R HA -0.137 4.202 4.340 -0.002 0.000 0.238 675 R C 1.422 177.752 176.300 0.050 0.000 1.136 675 R CA 1.190 57.330 56.100 0.067 0.000 0.959 675 R CB -0.155 30.200 30.300 0.091 0.000 0.856 675 R HN 0.636 nan 8.270 nan 0.000 0.437 676 G N 0.711 109.516 108.800 0.008 0.000 2.314 676 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.292 676 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.292 676 G C 0.466 175.385 174.900 0.031 0.000 1.059 676 G CA 0.348 45.453 45.100 0.008 0.000 0.982 676 G HN 0.367 nan 8.290 nan 0.000 0.505 677 V N -3.202 116.729 119.914 0.028 0.000 3.542 677 V HA 0.742 4.861 4.120 -0.002 0.000 0.296 677 V C 1.419 177.523 176.094 0.017 0.000 1.364 677 V CA 0.596 62.922 62.300 0.044 0.000 1.118 677 V CB -0.065 31.800 31.823 0.070 0.000 0.972 677 V HN 1.642 nan 8.190 nan 0.000 0.430 678 A N 0.332 123.149 122.820 -0.005 0.000 2.425 678 A HA 0.644 4.963 4.320 -0.002 0.000 0.249 678 A C 1.027 178.613 177.584 0.004 0.000 1.084 678 A CA -0.128 51.902 52.037 -0.012 0.000 0.781 678 A CB 0.348 19.332 19.000 -0.026 0.000 1.019 678 A HN 0.374 nan 8.150 nan 0.000 0.490 679 I N 0.682 121.255 120.570 0.005 0.000 2.494 679 I HA -0.005 4.164 4.170 -0.002 0.000 0.250 679 I C 0.269 176.392 176.117 0.010 0.000 1.112 679 I CA 0.581 61.887 61.300 0.010 0.000 1.438 679 I CB -0.048 37.958 38.000 0.009 0.000 1.111 679 I HN 0.563 nan 8.210 nan 0.000 0.431 680 N N 0.527 119.232 118.700 0.008 0.000 2.240 680 N HA 0.506 5.245 4.740 -0.002 0.000 0.302 680 N C -1.022 174.494 175.510 0.009 0.000 1.106 680 N CA -0.248 52.809 53.050 0.011 0.000 0.778 680 N CB 3.128 41.622 38.487 0.012 0.000 1.431 680 N HN -0.128 nan 8.380 nan 0.000 0.479 681 V N -1.399 118.524 119.914 0.015 0.000 3.040 681 V HA 0.750 4.869 4.120 -0.002 0.000 0.312 681 V C -2.670 173.442 176.094 0.030 0.000 1.115 681 V CA -2.276 60.033 62.300 0.016 0.000 0.998 681 V CB 2.521 34.351 31.823 0.012 0.000 1.042 681 V HN 0.465 nan 8.190 nan 0.000 0.433 682 P HA 0.219 nan 4.420 nan 0.000 0.275 682 P C -1.262 176.084 177.300 0.077 0.000 1.228 682 P CA 0.007 63.142 63.100 0.057 0.000 0.786 682 P CB 1.036 32.773 31.700 0.062 0.000 0.927 683 Q N 2.413 122.269 119.800 0.094 0.000 2.333 683 Q HA 0.263 4.602 4.340 -0.002 0.000 0.268 683 Q C -1.410 174.698 176.000 0.180 0.000 1.007 683 Q CA -0.821 55.051 55.803 0.114 0.000 0.810 683 Q CB 0.981 29.761 28.738 0.071 0.000 1.264 683 Q HN 0.408 nan 8.270 nan 0.000 0.452 684 W N 4.833 126.132 121.300 -0.002 0.000 2.266 684 W HA 0.342 5.001 4.660 -0.002 0.000 0.317 684 W C -1.134 175.386 176.519 0.001 0.000 1.310 684 W CA -0.346 56.998 57.345 -0.001 0.000 1.207 684 W CB 0.851 30.301 29.460 -0.017 0.000 1.199 684 W HN 0.378 nan 8.180 nan 0.000 0.544 685 V N 10.568 130.241 119.914 -0.402 0.000 2.235 685 V HA 0.118 4.237 4.120 -0.002 0.000 0.266 685 V C -1.016 174.597 176.094 -0.802 0.000 1.055 685 V CA -1.273 60.755 62.300 -0.453 0.000 0.844 685 V CB 0.920 32.620 31.823 -0.204 0.000 1.097 685 V HN 0.538 nan 8.190 nan 0.000 0.453 686 P HA -0.221 nan 4.420 nan 0.000 0.217 686 P C 1.028 178.036 177.300 -0.487 0.000 1.151 686 P CA 1.468 63.821 63.100 -1.246 0.000 0.849 686 P CB 0.556 31.569 31.700 -1.146 0.000 0.787 687 E N -0.127 119.869 120.200 -0.339 0.000 2.265 687 E HA -0.133 4.216 4.350 -0.002 0.000 0.196 687 E C 1.451 177.974 176.600 -0.129 0.000 0.996 687 E CA 1.174 57.467 56.400 -0.179 0.000 0.832 687 E CB -0.825 28.793 29.700 -0.137 0.000 0.756 687 E HN 0.560 nan 8.360 nan 0.000 0.491 688 N N -0.934 117.675 118.700 -0.151 0.000 2.220 688 N HA 0.087 4.826 4.740 -0.002 0.000 0.195 688 N C -0.312 175.181 175.510 -0.028 0.000 1.123 688 N CA -0.357 52.647 53.050 -0.077 0.000 0.874 688 N CB 0.567 39.014 38.487 -0.067 0.000 0.995 688 N HN 0.034 nan 8.380 nan 0.000 0.498 689 C N 2.305 121.589 119.300 -0.026 0.000 2.632 689 C HA 0.205 4.664 4.460 -0.002 0.000 0.415 689 C C 1.715 176.775 174.990 0.118 0.000 1.332 689 C CA -0.588 58.520 59.018 0.150 0.000 1.874 689 C CB -1.048 26.946 27.740 0.423 0.000 2.596 689 C HN 0.470 nan 8.230 nan 0.000 0.590 690 I N 2.125 122.748 120.570 0.088 0.000 3.904 690 I HA 0.242 4.411 4.170 -0.002 0.000 0.333 690 I C 0.724 176.799 176.117 -0.070 0.000 1.361 690 I CA -0.010 61.294 61.300 0.008 0.000 1.116 690 I CB -0.737 37.258 38.000 -0.008 0.000 1.028 690 I HN 0.845 nan 8.210 nan 0.000 0.398 691 Q N 1.007 120.760 119.800 -0.078 0.000 2.452 691 Q HA -0.221 4.118 4.340 -0.002 0.000 0.318 691 Q C 1.148 176.950 176.000 -0.330 0.000 1.386 691 Q CA 0.631 56.134 55.803 -0.501 0.000 0.872 691 Q CB -1.918 26.277 28.738 -0.905 0.000 1.151 691 Q HN 0.953 nan 8.270 nan 0.000 0.417 692 C N -2.820 116.417 119.300 -0.105 0.000 2.735 692 C HA 0.241 4.700 4.460 -0.002 0.000 0.271 692 C C 1.105 176.046 174.990 -0.081 0.000 1.281 692 C CA 0.247 59.206 59.018 -0.098 0.000 1.719 692 C CB 0.146 27.849 27.740 -0.062 0.000 2.024 692 C HN 0.749 nan 8.230 nan 0.000 0.566 693 N N 0.750 119.456 118.700 0.009 0.000 2.863 693 N HA -0.219 4.520 4.740 -0.002 0.000 0.245 693 N C 0.802 176.324 175.510 0.020 0.000 1.001 693 N CA 1.541 54.597 53.050 0.011 0.000 0.901 693 N CB -1.574 36.834 38.487 -0.132 0.000 1.124 693 N HN 0.786 nan 8.380 nan 0.000 0.582 694 Q N -0.589 119.211 119.800 -0.000 0.000 2.167 694 Q HA -0.113 4.226 4.340 -0.002 0.000 0.202 694 Q C 2.306 178.346 176.000 0.067 0.000 0.970 694 Q CA 1.877 57.677 55.803 -0.005 0.000 0.855 694 Q CB -0.116 28.591 28.738 -0.052 0.000 0.911 694 Q HN 0.849 nan 8.270 nan 0.000 0.438 695 C N -0.424 118.911 119.300 0.059 0.000 2.413 695 C HA -0.003 4.456 4.460 -0.002 0.000 0.276 695 C C 2.743 177.764 174.990 0.053 0.000 1.236 695 C CA 0.511 59.562 59.018 0.056 0.000 1.735 695 C CB -1.363 26.408 27.740 0.052 0.000 2.031 695 C HN 0.464 nan 8.230 nan 0.000 0.474 696 A N 0.058 122.904 122.820 0.044 0.000 1.930 696 A HA -0.031 4.288 4.320 -0.002 0.000 0.217 696 A C 2.017 179.622 177.584 0.036 0.000 1.175 696 A CA 1.507 53.555 52.037 0.018 0.000 0.627 696 A CB -1.062 17.933 19.000 -0.008 0.000 0.815 696 A HN 0.636 nan 8.150 nan 0.000 0.443 697 F N 0.309 120.217 119.950 -0.069 0.000 2.161 697 F HA -0.147 4.379 4.527 -0.002 0.000 0.300 697 F C 1.969 177.718 175.800 -0.084 0.000 1.089 697 F CA 1.855 59.812 58.000 -0.070 0.000 1.282 697 F CB 0.206 39.169 39.000 -0.061 0.000 1.010 697 F HN 0.046 nan 8.300 nan 0.000 0.485 698 V N -1.072 118.946 119.914 0.173 0.000 3.235 698 V HA -0.059 4.060 4.120 -0.002 0.000 0.259 698 V C 1.078 177.155 176.094 -0.029 0.000 1.133 698 V CA 0.190 62.527 62.300 0.062 0.000 1.128 698 V CB -0.572 31.293 31.823 0.070 0.000 0.757 698 V HN 0.384 nan 8.190 nan 0.000 0.469 699 C N 3.173 122.457 119.300 -0.027 0.000 2.633 699 C HA 0.128 4.587 4.460 -0.002 0.000 0.415 699 C C -0.485 174.458 174.990 -0.078 0.000 1.393 699 C CA -0.738 58.266 59.018 -0.024 0.000 1.700 699 C CB 0.352 28.091 27.740 -0.001 0.000 2.541 699 C HN 0.335 nan 8.230 nan 0.000 0.603 700 P HA 0.062 nan 4.420 nan 0.000 0.245 700 P C -0.045 177.011 177.300 -0.406 0.000 1.212 700 P CA 1.246 64.234 63.100 -0.187 0.000 0.774 700 P CB 0.058 31.714 31.700 -0.074 0.000 0.999 701 H N -3.437 115.565 119.070 -0.112 0.000 3.367 701 H HA 0.284 4.839 4.556 -0.002 0.000 0.257 701 H C 0.471 175.808 175.328 0.014 0.000 1.201 701 H CA -0.099 55.916 56.048 -0.055 0.000 1.102 701 H CB 0.098 29.876 29.762 0.027 0.000 1.656 701 H HN -0.220 nan 8.280 nan 0.000 0.662 702 S N 0.177 115.885 115.700 0.014 0.000 3.635 702 S HA -0.253 4.216 4.470 -0.002 0.000 0.328 702 S C 1.351 176.064 174.600 0.189 0.000 1.135 702 S CA 0.487 58.684 58.200 -0.005 0.000 0.942 702 S CB -1.435 61.640 63.200 -0.208 0.000 0.930 702 S HN 0.682 nan 8.310 nan 0.000 0.512 703 A N -0.017 122.910 122.820 0.179 0.000 2.238 703 A HA 0.453 4.772 4.320 -0.002 0.000 0.208 703 A C 0.642 178.262 177.584 0.060 0.000 1.177 703 A CA 0.381 52.504 52.037 0.144 0.000 0.804 703 A CB -0.003 19.046 19.000 0.082 0.000 0.823 703 A HN 0.674 nan 8.150 nan 0.000 0.482 704 I N 0.616 121.206 120.570 0.033 0.000 2.389 704 I HA 0.303 4.472 4.170 -0.002 0.000 0.288 704 I C -1.115 174.980 176.117 -0.035 0.000 0.999 704 I CA -0.773 60.514 61.300 -0.022 0.000 1.129 704 I CB 1.935 39.915 38.000 -0.033 0.000 1.288 704 I HN 0.071 nan 8.210 nan 0.000 0.444 705 L N 10.073 131.258 121.223 -0.064 0.000 2.301 705 L HA 0.605 4.944 4.340 -0.002 0.000 0.278 705 L C -2.597 174.194 176.870 -0.132 0.000 1.022 705 L CA -1.881 52.923 54.840 -0.060 0.000 0.854 705 L CB 0.913 42.959 42.059 -0.021 0.000 1.226 705 L HN 0.224 nan 8.230 nan 0.000 0.429 706 P HA 0.189 nan 4.420 nan 0.000 0.271 706 P C -1.151 176.091 177.300 -0.098 0.000 1.220 706 P CA -0.040 62.977 63.100 -0.138 0.000 0.768 706 P CB 1.087 32.843 31.700 0.094 0.000 0.848 707 V N 5.292 125.023 119.914 -0.306 0.000 2.459 707 V HA 0.422 4.541 4.120 -0.002 0.000 0.295 707 V C -0.240 175.745 176.094 -0.182 0.000 1.029 707 V CA -0.470 61.718 62.300 -0.187 0.000 0.874 707 V CB 1.629 33.364 31.823 -0.146 0.000 0.985 707 V HN 0.327 nan 8.190 nan 0.000 0.438 708 L N 4.979 126.118 121.223 -0.140 0.000 2.471 708 L HA 0.876 5.215 4.340 -0.002 0.000 0.263 708 L C -0.138 176.720 176.870 -0.021 0.000 0.985 708 L CA 0.054 54.810 54.840 -0.140 0.000 0.868 708 L CB 1.079 42.798 42.059 -0.567 0.000 1.203 708 L HN 0.798 nan 8.230 nan 0.000 0.429 709 A N 4.121 127.019 122.820 0.131 0.000 2.423 709 A HA 0.805 5.124 4.320 -0.002 0.000 0.304 709 A C -0.800 176.911 177.584 0.212 0.000 1.104 709 A CA -0.815 51.324 52.037 0.170 0.000 0.757 709 A CB 1.345 20.425 19.000 0.134 0.000 1.313 709 A HN 0.552 nan 8.150 nan 0.000 0.423 710 K N 0.559 121.039 120.400 0.133 0.000 2.126 710 K HA 0.210 4.529 4.320 -0.002 0.000 0.257 710 K C 0.442 177.068 176.600 0.043 0.000 1.007 710 K CA -0.325 55.971 56.287 0.014 0.000 0.928 710 K CB 0.954 33.426 32.500 -0.046 0.000 1.013 710 K HN 0.771 nan 8.250 nan 0.000 0.473 711 E N 1.698 121.907 120.200 0.015 0.000 2.086 711 E HA -0.308 4.041 4.350 -0.002 0.000 0.200 711 E C 1.662 178.292 176.600 0.049 0.000 1.012 711 E CA 2.073 58.498 56.400 0.041 0.000 0.812 711 E CB -0.042 29.669 29.700 0.017 0.000 0.743 711 E HN 0.678 nan 8.360 nan 0.000 0.453 712 E N 1.135 121.351 120.200 0.027 0.000 2.265 712 E HA -0.211 4.138 4.350 -0.002 0.000 0.196 712 E C 1.434 178.063 176.600 0.048 0.000 0.996 712 E CA 1.092 57.510 56.400 0.029 0.000 0.832 712 E CB -0.155 29.551 29.700 0.011 0.000 0.756 712 E HN 0.341 nan 8.360 nan 0.000 0.491 713 E N 0.003 120.240 120.200 0.060 0.000 2.481 713 E HA 0.001 4.350 4.350 -0.002 0.000 0.195 713 E C 0.673 177.362 176.600 0.148 0.000 1.047 713 E CA 0.110 56.551 56.400 0.068 0.000 0.867 713 E CB 0.284 30.012 29.700 0.046 0.000 0.858 713 E HN 0.227 nan 8.360 nan 0.000 0.513 714 L N -0.248 121.079 121.223 0.173 0.000 2.769 714 L HA 0.051 4.390 4.340 -0.002 0.000 0.240 714 L C 1.470 178.420 176.870 0.134 0.000 1.163 714 L CA 0.241 55.222 54.840 0.236 0.000 0.962 714 L CB 0.485 42.693 42.059 0.248 0.000 1.258 714 L HN -0.053 nan 8.230 nan 0.000 0.513 715 V N 0.489 120.467 119.914 0.106 0.000 2.214 715 V HA -0.238 3.881 4.120 -0.002 0.000 0.247 715 V C 2.081 178.180 176.094 0.008 0.000 1.051 715 V CA 2.231 64.562 62.300 0.052 0.000 1.003 715 V CB -1.058 30.793 31.823 0.046 0.000 0.635 715 V HN 0.555 nan 8.190 nan 0.000 0.447 716 G N -0.358 108.457 108.800 0.024 0.000 3.332 716 G HA2 0.404 4.363 3.960 -0.002 0.000 0.242 716 G HA3 0.404 4.363 3.960 -0.002 0.000 0.242 716 G C 0.329 175.016 174.900 -0.354 0.000 1.276 716 G CA 0.470 45.532 45.100 -0.064 0.000 0.988 716 G HN 0.650 nan 8.290 nan 0.000 0.517 717 A N 0.764 123.296 122.820 -0.481 0.000 2.371 717 A HA 0.656 4.976 4.320 -0.002 0.000 0.257 717 A C -1.851 175.399 177.584 -0.556 0.000 1.089 717 A CA -1.075 50.330 52.037 -1.055 0.000 0.794 717 A CB 0.508 19.184 19.000 -0.540 0.000 1.029 717 A HN 0.230 nan 8.150 nan 0.000 0.488 718 P HA 0.151 nan 4.420 nan 0.000 0.269 718 P C 0.907 178.183 177.300 -0.040 0.000 1.211 718 P CA 0.631 63.604 63.100 -0.212 0.000 0.781 718 P CB 0.591 32.206 31.700 -0.142 0.000 0.877 719 A N 2.612 125.424 122.820 -0.013 0.000 1.933 719 A HA -0.176 4.143 4.320 -0.002 0.000 0.218 719 A C 1.514 179.136 177.584 0.063 0.000 1.175 719 A CA 1.713 53.763 52.037 0.022 0.000 0.628 719 A CB -1.061 17.945 19.000 0.009 0.000 0.814 719 A HN 0.737 nan 8.150 nan 0.000 0.444 720 N N -1.277 117.470 118.700 0.079 0.000 2.383 720 N HA 0.003 4.742 4.740 -0.002 0.000 0.192 720 N C 0.153 175.755 175.510 0.153 0.000 1.141 720 N CA -0.185 52.921 53.050 0.095 0.000 0.851 720 N CB -0.352 38.181 38.487 0.077 0.000 0.976 720 N HN 0.303 nan 8.380 nan 0.000 0.465 721 F N 3.090 123.047 119.950 0.012 0.000 2.668 721 F HA 0.172 4.698 4.527 -0.002 0.000 0.365 721 F C 0.050 175.902 175.800 0.086 0.000 1.165 721 F CA -0.398 57.627 58.000 0.041 0.000 1.344 721 F CB -0.978 38.012 39.000 -0.017 0.000 1.658 721 F HN -0.208 nan 8.300 nan 0.000 0.620 722 T N 2.575 117.135 114.554 0.010 0.000 2.934 722 T HA 0.407 4.756 4.350 -0.002 0.000 0.306 722 T C 0.211 174.929 174.700 0.030 0.000 1.042 722 T CA 0.405 62.526 62.100 0.034 0.000 1.145 722 T CB 0.505 69.399 68.868 0.045 0.000 0.982 722 T HN 0.541 nan 8.240 nan 0.000 0.544 723 A N 3.319 126.189 122.820 0.083 0.000 2.475 723 A HA 0.784 5.103 4.320 -0.002 0.000 0.301 723 A C -0.817 176.880 177.584 0.189 0.000 1.059 723 A CA -0.875 51.243 52.037 0.136 0.000 0.710 723 A CB 1.212 20.265 19.000 0.088 0.000 1.288 723 A HN 0.758 nan 8.150 nan 0.000 0.408 724 L N 0.745 122.141 121.223 0.288 0.000 2.332 724 L HA 0.483 4.823 4.340 -0.002 0.000 0.269 724 L C 0.457 177.468 176.870 0.235 0.000 1.016 724 L CA -0.871 54.119 54.840 0.250 0.000 0.809 724 L CB 1.604 43.858 42.059 0.325 0.000 1.280 724 L HN 0.904 nan 8.230 nan 0.000 0.447 725 E N 1.079 121.379 120.200 0.167 0.000 2.223 725 E HA 0.426 4.775 4.350 -0.002 0.000 0.282 725 E C -0.455 176.243 176.600 0.163 0.000 1.046 725 E CA -0.766 55.723 56.400 0.149 0.000 0.857 725 E CB 1.209 30.968 29.700 0.097 0.000 1.055 725 E HN 0.577 nan 8.360 nan 0.000 0.409 726 A N 4.726 127.666 122.820 0.201 0.000 2.566 726 A HA -0.015 4.304 4.320 -0.002 0.000 0.245 726 A C 0.070 177.707 177.584 0.089 0.000 1.056 726 A CA 0.132 52.275 52.037 0.175 0.000 0.757 726 A CB 0.066 19.212 19.000 0.243 0.000 0.979 726 A HN 0.652 nan 8.150 nan 0.000 0.508 727 K N 1.213 121.618 120.400 0.008 0.000 2.090 727 K HA 0.577 4.896 4.320 -0.002 0.000 0.250 727 K C 0.473 177.074 176.600 0.002 0.000 1.004 727 K CA 0.546 56.829 56.287 -0.007 0.000 0.919 727 K CB 0.993 33.461 32.500 -0.054 0.000 1.045 727 K HN 1.582 nan 8.250 nan 0.000 0.471 728 G N 1.193 109.999 108.800 0.010 0.000 2.911 728 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.686 728 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.686 728 G C 0.145 175.071 174.900 0.043 0.000 1.136 728 G CA -0.297 44.815 45.100 0.019 0.000 0.764 728 G HN 0.666 nan 8.290 nan 0.000 0.626 729 K N 0.403 120.825 120.400 0.038 0.000 2.097 729 K HA -0.102 4.217 4.320 -0.002 0.000 0.206 729 K C 2.087 178.726 176.600 0.066 0.000 1.049 729 K CA 2.170 58.484 56.287 0.045 0.000 0.933 729 K CB -0.024 32.496 32.500 0.033 0.000 0.717 729 K HN 0.556 nan 8.250 nan 0.000 0.442 730 E N 0.336 120.576 120.200 0.067 0.000 2.285 730 E HA -0.055 4.294 4.350 -0.002 0.000 0.194 730 E C 0.986 177.668 176.600 0.137 0.000 0.997 730 E CA 0.621 57.072 56.400 0.086 0.000 0.845 730 E CB 0.165 29.902 29.700 0.062 0.000 0.782 730 E HN 0.289 nan 8.360 nan 0.000 0.491 731 L N 0.794 122.099 121.223 0.137 0.000 2.728 731 L HA 0.181 4.520 4.340 -0.002 0.000 0.235 731 L C 0.630 177.697 176.870 0.328 0.000 1.197 731 L CA -0.326 54.651 54.840 0.229 0.000 0.992 731 L CB -0.123 42.003 42.059 0.112 0.000 1.263 731 L HN -0.046 nan 8.230 nan 0.000 0.484 732 K N 1.268 121.795 120.400 0.211 0.000 2.436 732 K HA 0.178 4.497 4.320 -0.002 0.000 0.282 732 K C 1.169 177.811 176.600 0.071 0.000 1.044 732 K CA 1.056 57.416 56.287 0.123 0.000 1.028 732 K CB 0.340 32.883 32.500 0.072 0.000 0.919 732 K HN 0.300 nan 8.250 nan 0.000 0.474 733 G N 3.275 112.099 108.800 0.040 0.000 2.284 733 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.230 733 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.230 733 G C -0.332 174.520 174.900 -0.080 0.000 1.021 733 G CA -0.067 44.995 45.100 -0.064 0.000 0.619 733 G HN 0.615 nan 8.290 nan 0.000 0.510 734 Y N 1.583 121.908 120.300 0.041 0.000 2.314 734 Y HA 0.582 5.131 4.550 -0.002 0.000 0.334 734 Y C 1.012 176.966 175.900 0.089 0.000 1.266 734 Y CA -0.066 58.063 58.100 0.049 0.000 1.391 734 Y CB 0.656 39.132 38.460 0.027 0.000 1.306 734 Y HN -0.117 nan 8.280 nan 0.000 0.558 735 K N 2.218 122.789 120.400 0.285 0.000 2.182 735 K HA 0.322 4.641 4.320 -0.002 0.000 0.262 735 K C -1.456 175.309 176.600 0.275 0.000 0.957 735 K CA -0.640 55.791 56.287 0.239 0.000 0.842 735 K CB 1.794 34.406 32.500 0.186 0.000 1.099 735 K HN 0.538 nan 8.250 nan 0.000 0.438 736 F N 2.209 122.237 119.950 0.131 0.000 2.480 736 F HA 0.529 5.055 4.527 -0.002 0.000 0.329 736 F C -0.242 175.609 175.800 0.084 0.000 1.091 736 F CA -0.704 57.362 58.000 0.110 0.000 0.972 736 F CB 1.469 40.562 39.000 0.154 0.000 1.150 736 F HN 0.487 nan 8.300 nan 0.000 0.467 737 R N 6.486 126.426 120.500 -0.934 0.000 2.594 737 R HA 0.440 4.779 4.340 -0.002 0.000 0.265 737 R C -2.297 173.148 176.300 -1.426 0.000 1.070 737 R CA -0.701 54.804 56.100 -0.992 0.000 0.909 737 R CB 1.387 31.311 30.300 -0.627 0.000 1.243 737 R HN 0.627 nan 8.270 nan 0.000 0.455 738 I N 4.140 123.537 120.570 -1.956 0.000 2.306 738 I HA 0.186 4.355 4.170 -0.002 0.000 0.288 738 I C -0.231 175.335 176.117 -0.917 0.000 1.036 738 I CA -0.385 60.075 61.300 -1.401 0.000 1.221 738 I CB 1.090 38.081 38.000 -1.683 0.000 1.385 738 I HN 0.590 nan 8.210 nan 0.000 0.472 739 Q N 6.650 126.146 119.800 -0.506 0.000 2.296 739 Q HA 0.384 4.723 4.340 -0.002 0.000 0.257 739 Q C -0.788 175.129 176.000 -0.139 0.000 0.942 739 Q CA -0.299 55.358 55.803 -0.244 0.000 0.939 739 Q CB 0.940 29.617 28.738 -0.102 0.000 1.198 739 Q HN 0.363 nan 8.270 nan 0.000 0.429 740 I N 3.976 124.502 120.570 -0.072 0.000 2.395 740 I HA 0.173 4.342 4.170 -0.002 0.000 0.289 740 I C 0.228 176.340 176.117 -0.009 0.000 1.023 740 I CA -0.335 60.948 61.300 -0.029 0.000 1.350 740 I CB 0.888 38.893 38.000 0.008 0.000 1.409 740 I HN 0.667 nan 8.210 nan 0.000 0.507 741 N N 5.013 123.704 118.700 -0.015 0.000 2.719 741 N HA 0.025 4.764 4.740 -0.002 0.000 0.243 741 N C 1.203 176.680 175.510 -0.054 0.000 1.104 741 N CA -0.048 52.978 53.050 -0.040 0.000 0.981 741 N CB 0.650 39.105 38.487 -0.052 0.000 1.290 741 N HN 0.691 nan 8.380 nan 0.000 0.513 742 T N 0.260 114.792 114.554 -0.035 0.000 2.929 742 T HA -0.065 4.284 4.350 -0.002 0.000 0.271 742 T C 1.748 176.417 174.700 -0.051 0.000 1.085 742 T CA 0.770 62.852 62.100 -0.029 0.000 1.125 742 T CB -0.030 68.836 68.868 -0.004 0.000 0.874 742 T HN 0.399 nan 8.240 nan 0.000 0.494 743 L N 0.177 121.349 121.223 -0.084 0.000 2.375 743 L HA 0.181 4.520 4.340 -0.002 0.000 0.215 743 L C 1.941 178.722 176.870 -0.148 0.000 1.108 743 L CA 0.734 55.517 54.840 -0.095 0.000 0.830 743 L CB -0.139 41.864 42.059 -0.093 0.000 0.959 743 L HN 0.182 nan 8.230 nan 0.000 0.457 744 D N -0.910 119.353 120.400 -0.228 0.000 2.366 744 D HA 0.008 4.647 4.640 -0.002 0.000 0.205 744 D C 0.747 176.970 176.300 -0.129 0.000 1.022 744 D CA 0.121 53.953 54.000 -0.280 0.000 0.868 744 D CB 0.242 40.615 40.800 -0.711 0.000 0.953 744 D HN 0.192 nan 8.370 nan 0.000 0.514 745 C N 1.365 120.607 119.300 -0.097 0.000 2.679 745 C HA 0.035 4.494 4.460 -0.002 0.000 0.417 745 C C 1.600 176.516 174.990 -0.123 0.000 1.302 745 C CA -0.044 58.932 59.018 -0.070 0.000 1.973 745 C CB -0.167 27.550 27.740 -0.038 0.000 2.715 745 C HN 0.185 nan 8.230 nan 0.000 0.628 746 M N 3.885 123.380 119.600 -0.176 0.000 2.333 746 M HA 0.205 4.684 4.480 -0.002 0.000 0.257 746 M C 1.689 177.929 176.300 -0.100 0.000 1.078 746 M CA 1.011 56.184 55.300 -0.212 0.000 1.005 746 M CB -0.843 31.488 32.600 -0.449 0.000 1.444 746 M HN 1.190 nan 8.290 nan 0.000 0.496 747 G N 1.202 109.968 108.800 -0.058 0.000 2.198 747 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.260 747 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.260 747 G C 1.056 175.948 174.900 -0.012 0.000 1.025 747 G CA 0.560 45.646 45.100 -0.024 0.000 0.769 747 G HN 0.650 nan 8.290 nan 0.000 0.507 748 C N -1.932 117.361 119.300 -0.012 0.000 2.440 748 C HA 0.472 4.931 4.460 -0.002 0.000 0.278 748 C C 2.682 177.680 174.990 0.013 0.000 1.295 748 C CA 1.478 60.499 59.018 0.005 0.000 1.738 748 C CB -0.788 26.962 27.740 0.017 0.000 1.987 748 C HN 2.439 nan 8.230 nan 0.000 0.492 749 G N 0.862 109.672 108.800 0.016 0.000 2.175 749 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.244 749 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.244 749 G C 0.715 175.631 174.900 0.026 0.000 0.982 749 G CA 0.491 45.604 45.100 0.022 0.000 0.641 749 G HN 0.516 nan 8.290 nan 0.000 0.527 750 N N 0.350 119.065 118.700 0.026 0.000 2.104 750 N HA -0.202 4.537 4.740 -0.002 0.000 0.190 750 N C 2.735 178.263 175.510 0.030 0.000 1.024 750 N CA 2.231 55.297 53.050 0.026 0.000 0.853 750 N CB -0.585 37.915 38.487 0.021 0.000 1.008 750 N HN 0.940 nan 8.380 nan 0.000 0.424 751 C N 0.610 119.930 119.300 0.033 0.000 2.413 751 C HA 0.083 4.542 4.460 -0.002 0.000 0.278 751 C C 2.821 177.839 174.990 0.048 0.000 1.224 751 C CA 0.763 59.806 59.018 0.041 0.000 1.732 751 C CB -1.370 26.395 27.740 0.042 0.000 2.050 751 C HN 0.364 nan 8.230 nan 0.000 0.463 752 A N 1.217 124.067 122.820 0.049 0.000 2.024 752 A HA -0.204 4.115 4.320 -0.002 0.000 0.220 752 A C 1.889 179.497 177.584 0.041 0.000 1.164 752 A CA 2.340 54.409 52.037 0.052 0.000 0.643 752 A CB -1.010 18.018 19.000 0.048 0.000 0.806 752 A HN 0.738 nan 8.150 nan 0.000 0.451 753 D N -0.098 120.323 120.400 0.034 0.000 2.144 753 D HA -0.117 4.522 4.640 -0.002 0.000 0.200 753 D C 1.471 177.787 176.300 0.027 0.000 0.978 753 D CA 1.591 55.609 54.000 0.029 0.000 0.833 753 D CB -0.136 40.681 40.800 0.028 0.000 0.961 753 D HN 0.547 nan 8.370 nan 0.000 0.470 754 I N -1.451 119.135 120.570 0.027 0.000 3.968 754 I HA 0.240 4.409 4.170 -0.002 0.000 0.328 754 I C 0.356 176.485 176.117 0.020 0.000 1.290 754 I CA -0.747 60.565 61.300 0.019 0.000 1.163 754 I CB -0.843 37.165 38.000 0.013 0.000 1.024 754 I HN -0.036 nan 8.210 nan 0.000 0.413 755 C N 4.507 123.828 119.300 0.035 0.000 2.531 755 C HA 0.081 4.540 4.460 -0.002 0.000 0.401 755 C C -0.257 174.751 174.990 0.030 0.000 1.473 755 C CA -0.654 58.392 59.018 0.047 0.000 1.472 755 C CB -0.178 27.605 27.740 0.072 0.000 2.429 755 C HN 0.385 nan 8.230 nan 0.000 0.620 756 P HA -0.101 nan 4.420 nan 0.000 0.216 756 P C -1.760 175.545 177.300 0.007 0.000 1.167 756 P CA 1.522 64.624 63.100 0.005 0.000 0.914 756 P CB -1.119 30.577 31.700 -0.006 0.000 0.793 757 P HA -0.061 nan 4.420 nan 0.000 0.260 757 P C 0.297 177.601 177.300 0.006 0.000 1.185 757 P CA 0.716 63.821 63.100 0.008 0.000 0.763 757 P CB 0.589 32.297 31.700 0.012 0.000 0.776 758 K N 1.839 122.240 120.400 0.001 0.000 2.160 758 K HA -0.157 4.162 4.320 -0.002 0.000 0.206 758 K C 1.054 177.654 176.600 0.000 0.000 1.047 758 K CA 1.318 57.605 56.287 0.001 0.000 0.930 758 K CB -0.001 32.497 32.500 -0.002 0.000 0.720 758 K HN 0.609 nan 8.250 nan 0.000 0.450 759 E N 2.230 122.428 120.200 -0.004 0.000 2.127 759 E HA 0.062 4.411 4.350 -0.002 0.000 0.262 759 E C -0.817 175.779 176.600 -0.006 0.000 1.144 759 E CA -0.258 56.136 56.400 -0.008 0.000 1.144 759 E CB 0.054 29.744 29.700 -0.017 0.000 1.297 759 E HN -0.116 nan 8.360 nan 0.000 0.469 760 K N 1.150 121.553 120.400 0.005 0.000 2.526 760 K HA -0.131 4.188 4.320 -0.002 0.000 0.267 760 K C 0.766 177.373 176.600 0.013 0.000 1.009 760 K CA 0.786 57.084 56.287 0.018 0.000 1.120 760 K CB 0.187 32.701 32.500 0.024 0.000 0.797 760 K HN 0.591 nan 8.250 nan 0.000 0.476 761 A N 3.915 126.762 122.820 0.045 0.000 2.308 761 A HA 0.201 4.520 4.320 -0.002 0.000 0.217 761 A C 0.372 178.034 177.584 0.129 0.000 1.216 761 A CA 0.106 52.164 52.037 0.036 0.000 0.864 761 A CB 0.245 19.314 19.000 0.115 0.000 0.902 761 A HN 0.516 nan 8.150 nan 0.000 0.499 762 L N 0.607 121.903 121.223 0.123 0.000 2.439 762 L HA 0.506 4.845 4.340 -0.002 0.000 0.270 762 L C -1.536 175.381 176.870 0.079 0.000 0.972 762 L CA -0.652 54.272 54.840 0.141 0.000 0.836 762 L CB 2.426 44.576 42.059 0.151 0.000 1.255 762 L HN -0.096 nan 8.230 nan 0.000 0.404 763 V N 3.595 123.549 119.914 0.067 0.000 2.531 763 V HA 0.431 4.550 4.120 -0.002 0.000 0.301 763 V C 0.192 176.312 176.094 0.043 0.000 1.034 763 V CA -0.699 61.627 62.300 0.043 0.000 0.865 763 V CB 2.028 33.867 31.823 0.027 0.000 0.995 763 V HN 0.637 nan 8.190 nan 0.000 0.424 764 M N 4.736 124.356 119.600 0.035 0.000 2.238 764 M HA 0.371 4.850 4.480 -0.002 0.000 0.350 764 M C -0.168 176.148 176.300 0.026 0.000 1.321 764 M CA 0.631 55.949 55.300 0.030 0.000 1.097 764 M CB 0.195 32.809 32.600 0.024 0.000 1.713 764 M HN 0.647 nan 8.290 nan 0.000 0.455 765 Q N 2.616 122.432 119.800 0.027 0.000 2.501 765 Q HA 0.572 4.911 4.340 -0.002 0.000 0.288 765 Q C -2.568 173.445 176.000 0.022 0.000 1.051 765 Q CA -1.949 53.869 55.803 0.024 0.000 0.788 765 Q CB 1.346 30.101 28.738 0.028 0.000 1.469 765 Q HN 0.313 nan 8.270 nan 0.000 0.416 766 P HA -0.021 nan 4.420 nan 0.000 0.267 766 P C 0.836 178.150 177.300 0.024 0.000 1.205 766 P CA -0.100 63.012 63.100 0.021 0.000 0.765 766 P CB 0.480 32.192 31.700 0.021 0.000 0.828 767 L N 5.049 126.285 121.223 0.022 0.000 2.021 767 L HA -0.258 4.081 4.340 -0.002 0.000 0.215 767 L C 1.322 178.209 176.870 0.029 0.000 1.074 767 L CA 2.390 57.244 54.840 0.023 0.000 0.760 767 L CB -1.401 40.670 42.059 0.020 0.000 0.889 767 L HN 0.386 nan 8.230 nan 0.000 0.433 768 D N -2.441 117.979 120.400 0.034 0.000 2.403 768 D HA -0.159 4.480 4.640 -0.002 0.000 0.227 768 D C 1.632 177.954 176.300 0.037 0.000 0.995 768 D CA 1.104 55.128 54.000 0.040 0.000 0.928 768 D CB -0.757 40.072 40.800 0.049 0.000 0.887 768 D HN 0.592 nan 8.370 nan 0.000 0.529 769 T N -4.698 109.876 114.554 0.033 0.000 3.040 769 T HA 0.094 4.443 4.350 -0.002 0.000 0.250 769 T C 1.442 176.161 174.700 0.033 0.000 1.058 769 T CA -0.165 61.954 62.100 0.032 0.000 0.988 769 T CB 0.289 69.174 68.868 0.029 0.000 0.993 769 T HN -0.035 nan 8.240 nan 0.000 0.519 770 Q N 0.997 120.817 119.800 0.034 0.000 2.422 770 Q HA 0.229 4.568 4.340 -0.002 0.000 0.255 770 Q C 2.456 178.478 176.000 0.036 0.000 0.864 770 Q CA 0.397 56.222 55.803 0.037 0.000 0.968 770 Q CB 0.087 28.848 28.738 0.038 0.000 1.130 770 Q HN 0.710 nan 8.270 nan 0.000 0.556 771 R N 1.335 121.853 120.500 0.030 0.000 2.083 771 R HA -0.134 4.206 4.340 -0.002 0.000 0.237 771 R C 1.074 177.391 176.300 0.028 0.000 1.137 771 R CA 1.768 57.884 56.100 0.026 0.000 0.951 771 R CB -0.536 29.777 30.300 0.022 0.000 0.851 771 R HN 0.012 nan 8.270 nan 0.000 0.434 772 D N 1.223 121.640 120.400 0.029 0.000 2.133 772 D HA -0.169 4.470 4.640 -0.002 0.000 0.195 772 D C 1.925 178.244 176.300 0.031 0.000 0.997 772 D CA 2.007 56.023 54.000 0.026 0.000 0.840 772 D CB -0.109 40.706 40.800 0.025 0.000 0.947 772 D HN 0.529 nan 8.370 nan 0.000 0.452 773 A N 0.446 123.290 122.820 0.039 0.000 1.943 773 A HA -0.080 4.239 4.320 -0.002 0.000 0.213 773 A C 2.104 179.729 177.584 0.069 0.000 1.181 773 A CA 0.674 52.742 52.037 0.052 0.000 0.653 773 A CB -0.027 19.005 19.000 0.055 0.000 0.833 773 A HN -0.005 nan 8.150 nan 0.000 0.451 774 Q N -0.112 119.727 119.800 0.064 0.000 2.187 774 Q HA 0.001 4.340 4.340 -0.002 0.000 0.199 774 Q C 2.237 178.275 176.000 0.064 0.000 0.957 774 Q CA 1.149 56.997 55.803 0.074 0.000 0.857 774 Q CB -0.838 27.934 28.738 0.057 0.000 0.929 774 Q HN 0.429 nan 8.270 nan 0.000 0.453 775 V N 2.803 122.742 119.914 0.041 0.000 2.255 775 V HA -0.209 3.910 4.120 -0.002 0.000 0.247 775 V C -0.499 175.620 176.094 0.041 0.000 1.051 775 V CA 2.418 64.734 62.300 0.028 0.000 1.018 775 V CB -1.791 30.042 31.823 0.015 0.000 0.641 775 V HN 0.286 nan 8.190 nan 0.000 0.445 776 P HA -0.142 nan 4.420 nan 0.000 0.221 776 P C 1.165 178.510 177.300 0.076 0.000 1.150 776 P CA 1.529 64.655 63.100 0.044 0.000 0.800 776 P CB -0.228 31.487 31.700 0.025 0.000 0.787 777 N N -0.259 118.513 118.700 0.121 0.000 2.188 777 N HA -0.056 4.683 4.740 -0.002 0.000 0.184 777 N C 1.996 177.661 175.510 0.259 0.000 1.018 777 N CA 0.268 53.464 53.050 0.242 0.000 0.858 777 N CB -0.349 38.332 38.487 0.324 0.000 0.989 777 N HN 0.083 nan 8.380 nan 0.000 0.426 778 L N 1.583 122.899 121.223 0.155 0.000 2.056 778 L HA -0.158 4.181 4.340 -0.002 0.000 0.207 778 L C 2.465 179.383 176.870 0.080 0.000 1.078 778 L CA 1.425 56.332 54.840 0.111 0.000 0.749 778 L CB -0.286 41.801 42.059 0.046 0.000 0.901 778 L HN 0.281 nan 8.230 nan 0.000 0.433 779 E N -0.803 119.435 120.200 0.064 0.000 2.085 779 E HA -0.329 4.020 4.350 -0.002 0.000 0.194 779 E C 2.099 178.714 176.600 0.025 0.000 0.994 779 E CA 1.821 58.244 56.400 0.039 0.000 0.801 779 E CB -0.316 29.409 29.700 0.040 0.000 0.743 779 E HN 0.574 nan 8.360 nan 0.000 0.453 780 Y N 0.452 120.693 120.300 -0.097 0.000 2.263 780 Y HA -0.071 4.478 4.550 -0.002 0.000 0.292 780 Y C 2.063 177.854 175.900 -0.181 0.000 1.130 780 Y CA 1.452 59.428 58.100 -0.205 0.000 1.179 780 Y CB -0.416 37.795 38.460 -0.416 0.000 0.998 780 Y HN 0.137 nan 8.280 nan 0.000 0.532 781 A N 0.498 123.310 122.820 -0.014 0.000 1.902 781 A HA -0.134 4.185 4.320 -0.002 0.000 0.217 781 A C 2.415 179.967 177.584 -0.054 0.000 1.181 781 A CA 1.813 53.895 52.037 0.075 0.000 0.623 781 A CB -1.488 17.671 19.000 0.264 0.000 0.818 781 A HN 0.567 nan 8.150 nan 0.000 0.443 782 A N 0.720 123.514 122.820 -0.044 0.000 1.978 782 A HA -0.203 4.116 4.320 -0.002 0.000 0.220 782 A C 2.151 179.677 177.584 -0.098 0.000 1.170 782 A CA 1.733 53.741 52.037 -0.048 0.000 0.636 782 A CB -0.548 18.441 19.000 -0.019 0.000 0.810 782 A HN 0.739 nan 8.150 nan 0.000 0.448 783 R N -0.479 119.912 120.500 -0.183 0.000 2.313 783 R HA 0.228 4.567 4.340 -0.002 0.000 0.199 783 R C -0.101 176.064 176.300 -0.224 0.000 0.958 783 R CA 0.102 56.078 56.100 -0.205 0.000 1.047 783 R CB -0.465 29.677 30.300 -0.264 0.000 0.955 783 R HN 0.413 nan 8.270 nan 0.000 0.481 784 I N 3.469 123.905 120.570 -0.225 0.000 2.352 784 I HA 0.211 4.380 4.170 -0.002 0.000 0.290 784 I C -1.987 174.077 176.117 -0.089 0.000 1.036 784 I CA -2.557 58.646 61.300 -0.161 0.000 1.336 784 I CB 1.171 39.101 38.000 -0.116 0.000 1.407 784 I HN -0.113 nan 8.210 nan 0.000 0.497 785 P HA -0.011 nan 4.420 nan 0.000 0.262 785 P C -0.524 176.744 177.300 -0.053 0.000 1.182 785 P CA -0.107 62.963 63.100 -0.050 0.000 0.761 785 P CB 0.343 32.022 31.700 -0.035 0.000 0.795 786 V N 5.482 125.368 119.914 -0.047 0.000 2.521 786 V HA 0.021 4.140 4.120 -0.002 0.000 0.286 786 V C 0.994 177.046 176.094 -0.072 0.000 1.034 786 V CA 0.113 62.384 62.300 -0.049 0.000 1.045 786 V CB 0.145 31.958 31.823 -0.018 0.000 0.974 786 V HN 0.396 nan 8.190 nan 0.000 0.480 787 K N 3.809 124.117 120.400 -0.154 0.000 2.187 787 K HA 0.144 4.463 4.320 -0.002 0.000 0.242 787 K C 1.174 177.699 176.600 -0.125 0.000 1.179 787 K CA 0.115 56.282 56.287 -0.199 0.000 1.097 787 K CB 0.314 32.562 32.500 -0.418 0.000 1.634 787 K HN 0.827 nan 8.250 nan 0.000 0.335 788 S N -0.198 115.482 115.700 -0.034 0.000 2.593 788 S HA 0.057 4.526 4.470 -0.002 0.000 0.217 788 S C 0.745 175.353 174.600 0.014 0.000 0.966 788 S CA 0.039 58.251 58.200 0.021 0.000 0.914 788 S CB 0.191 63.400 63.200 0.016 0.000 0.776 788 S HN 0.273 nan 8.310 nan 0.000 0.523 789 E N 0.766 120.960 120.200 -0.010 0.000 2.526 789 E HA 0.250 4.599 4.350 -0.002 0.000 0.208 789 E C 1.508 178.107 176.600 -0.001 0.000 0.997 789 E CA 0.101 56.502 56.400 0.002 0.000 0.961 789 E CB 0.439 30.142 29.700 0.005 0.000 1.030 789 E HN 0.420 nan 8.360 nan 0.000 0.483 790 V N 0.568 120.462 119.914 -0.034 0.000 2.346 790 V HA -0.007 4.112 4.120 -0.002 0.000 0.244 790 V C 1.298 177.405 176.094 0.021 0.000 1.037 790 V CA 1.158 63.429 62.300 -0.049 0.000 1.029 790 V CB -0.004 31.685 31.823 -0.223 0.000 0.663 790 V HN 0.095 nan 8.190 nan 0.000 0.454 791 L N -0.809 120.461 121.223 0.077 0.000 2.301 791 L HA 0.486 4.825 4.340 -0.002 0.000 0.264 791 L C -2.597 174.311 176.870 0.064 0.000 1.016 791 L CA -2.048 52.844 54.840 0.088 0.000 0.821 791 L CB 1.433 43.577 42.059 0.142 0.000 1.346 791 L HN -0.030 nan 8.230 nan 0.000 0.429 792 P HA 0.045 nan 4.420 nan 0.000 0.261 792 P C 0.176 177.487 177.300 0.017 0.000 1.183 792 P CA 0.101 63.216 63.100 0.026 0.000 0.761 792 P CB 0.556 32.268 31.700 0.019 0.000 0.785 793 R N 3.458 123.962 120.500 0.007 0.000 2.105 793 R HA -0.180 4.159 4.340 -0.002 0.000 0.239 793 R C 0.775 177.046 176.300 -0.048 0.000 1.135 793 R CA 1.935 58.023 56.100 -0.019 0.000 0.967 793 R CB -0.181 30.097 30.300 -0.037 0.000 0.861 793 R HN 0.533 nan 8.270 nan 0.000 0.442 794 D N -0.111 120.265 120.400 -0.040 0.000 2.370 794 D HA -0.015 4.624 4.640 -0.002 0.000 0.230 794 D C -0.237 176.056 176.300 -0.013 0.000 1.143 794 D CA -0.186 53.786 54.000 -0.048 0.000 0.834 794 D CB 0.148 40.926 40.800 -0.037 0.000 0.944 794 D HN 0.147 nan 8.370 nan 0.000 0.504 795 S N -1.097 114.599 115.700 -0.007 0.000 2.651 795 S HA 0.327 4.796 4.470 -0.002 0.000 0.291 795 S C 1.181 175.776 174.600 -0.008 0.000 1.141 795 S CA -0.965 57.229 58.200 -0.010 0.000 1.027 795 S CB 1.942 65.133 63.200 -0.016 0.000 1.043 795 S HN 0.136 nan 8.310 nan 0.000 0.530 796 L N 1.105 122.299 121.223 -0.048 0.000 1.971 796 L HA -0.162 4.177 4.340 -0.002 0.000 0.215 796 L C 2.740 179.561 176.870 -0.082 0.000 1.072 796 L CA 1.983 56.761 54.840 -0.103 0.000 0.758 796 L CB -0.446 41.477 42.059 -0.226 0.000 0.889 796 L HN 0.975 nan 8.230 nan 0.000 0.433 797 K N -0.796 119.516 120.400 -0.145 0.000 2.057 797 K HA -0.126 4.193 4.320 -0.002 0.000 0.206 797 K C 1.887 178.264 176.600 -0.372 0.000 1.050 797 K CA 1.243 57.370 56.287 -0.267 0.000 0.935 797 K CB -0.318 32.038 32.500 -0.240 0.000 0.715 797 K HN 0.505 nan 8.250 nan 0.000 0.439 798 G N 0.463 109.168 108.800 -0.159 0.000 2.432 798 G HA2 -0.279 3.681 3.960 -0.002 0.000 0.219 798 G HA3 -0.279 3.681 3.960 -0.002 0.000 0.219 798 G C 1.496 176.374 174.900 -0.037 0.000 1.135 798 G CA 1.159 46.231 45.100 -0.046 0.000 0.767 798 G HN 0.499 nan 8.290 nan 0.000 0.550 799 S N 0.058 115.735 115.700 -0.039 0.000 2.399 799 S HA -0.100 4.369 4.470 -0.002 0.000 0.231 799 S C 1.967 176.538 174.600 -0.048 0.000 1.022 799 S CA 1.262 59.448 58.200 -0.024 0.000 0.983 799 S CB -0.183 63.047 63.200 0.049 0.000 0.803 799 S HN 0.293 nan 8.310 nan 0.000 0.480 800 Q N 0.048 119.788 119.800 -0.101 0.000 2.444 800 Q HA 0.306 4.645 4.340 -0.002 0.000 0.206 800 Q C 0.474 176.456 176.000 -0.031 0.000 0.948 800 Q CA 0.335 56.070 55.803 -0.114 0.000 0.946 800 Q CB -0.492 28.162 28.738 -0.141 0.000 1.027 800 Q HN 0.795 nan 8.270 nan 0.000 0.513 801 F N 0.227 120.172 119.950 -0.008 0.000 2.639 801 F HA 0.166 4.692 4.527 -0.002 0.000 0.302 801 F C 0.737 176.510 175.800 -0.044 0.000 1.097 801 F CA -0.576 57.408 58.000 -0.027 0.000 1.294 801 F CB 0.895 39.877 39.000 -0.030 0.000 1.027 801 F HN -0.094 nan 8.300 nan 0.000 0.550 802 Q N 0.844 120.709 119.800 0.108 0.000 2.248 802 Q HA 0.249 4.588 4.340 -0.002 0.000 0.263 802 Q C -0.366 175.631 176.000 -0.007 0.000 1.007 802 Q CA -0.474 55.345 55.803 0.026 0.000 0.877 802 Q CB 1.538 30.259 28.738 -0.027 0.000 1.315 802 Q HN 0.299 nan 8.270 nan 0.000 0.454 803 E N 3.391 123.575 120.200 -0.025 0.000 2.217 803 E HA 0.149 4.498 4.350 -0.002 0.000 0.279 803 E C -2.067 174.487 176.600 -0.077 0.000 1.068 803 E CA -1.507 54.866 56.400 -0.045 0.000 0.882 803 E CB 0.580 30.256 29.700 -0.040 0.000 1.039 803 E HN 0.175 nan 8.360 nan 0.000 0.418 804 P HA 0.044 nan 4.420 nan 0.000 0.281 804 P C -0.090 177.116 177.300 -0.158 0.000 1.252 804 P CA 0.077 63.089 63.100 -0.147 0.000 0.778 804 P CB 0.780 32.373 31.700 -0.178 0.000 0.895 805 L N 2.930 124.074 121.223 -0.131 0.000 2.872 805 L HA 0.352 4.691 4.340 -0.002 0.000 0.245 805 L C 0.838 177.615 176.870 -0.155 0.000 1.211 805 L CA 0.272 55.052 54.840 -0.101 0.000 1.013 805 L CB -0.009 42.045 42.059 -0.008 0.000 1.326 805 L HN 0.385 nan 8.230 nan 0.000 0.525 806 M N 1.501 120.921 119.600 -0.300 0.000 2.164 806 M HA 0.394 4.873 4.480 -0.002 0.000 0.260 806 M C -1.621 174.381 176.300 -0.495 0.000 0.974 806 M CA 0.149 55.151 55.300 -0.496 0.000 1.020 806 M CB 1.692 33.894 32.600 -0.663 0.000 1.903 806 M HN 0.106 nan 8.290 nan 0.000 0.469 807 E N 3.955 123.809 120.200 -0.577 0.000 2.367 807 E HA 0.565 4.914 4.350 -0.002 0.000 0.273 807 E C -0.837 175.349 176.600 -0.689 0.000 0.903 807 E CA -0.881 55.004 56.400 -0.858 0.000 0.764 807 E CB 1.864 30.619 29.700 -1.576 0.000 1.252 807 E HN 0.660 nan 8.360 nan 0.000 0.446 808 F N 0.117 120.026 119.950 -0.069 0.000 3.027 808 F HA -0.271 4.255 4.527 -0.002 0.000 0.276 808 F C 0.754 176.585 175.800 0.053 0.000 0.967 808 F CA 0.112 58.132 58.000 0.034 0.000 0.929 808 F CB -1.791 37.212 39.000 0.006 0.000 0.873 808 F HN 0.369 nan 8.300 nan 0.000 0.787 809 S N 0.563 116.310 115.700 0.079 0.000 2.634 809 S HA 0.576 5.045 4.470 -0.002 0.000 0.261 809 S C 1.247 175.962 174.600 0.191 0.000 1.271 809 S CA -0.162 58.081 58.200 0.071 0.000 0.985 809 S CB 1.741 64.894 63.200 -0.079 0.000 0.968 809 S HN 0.504 nan 8.310 nan 0.000 0.568 810 G N -0.258 108.674 108.800 0.220 0.000 3.327 810 G HA2 0.473 4.433 3.960 -0.002 0.000 0.240 810 G HA3 0.473 4.433 3.960 -0.002 0.000 0.240 810 G C 0.448 175.495 174.900 0.245 0.000 1.222 810 G CA 0.019 45.260 45.100 0.235 0.000 0.871 810 G HN 1.093 nan 8.290 nan 0.000 0.525 811 A N -0.536 122.385 122.820 0.168 0.000 2.366 811 A HA 0.458 4.777 4.320 -0.002 0.000 0.249 811 A C 0.887 178.586 177.584 0.192 0.000 1.084 811 A CA -0.353 51.719 52.037 0.060 0.000 0.794 811 A CB 0.122 18.820 19.000 -0.502 0.000 1.034 811 A HN 0.363 nan 8.150 nan 0.000 0.491 812 C N 0.528 119.908 119.300 0.133 0.000 2.727 812 C HA 0.316 4.775 4.460 -0.002 0.000 0.401 812 C C 1.560 176.649 174.990 0.164 0.000 1.294 812 C CA -0.098 58.994 59.018 0.123 0.000 2.134 812 C CB -0.183 27.606 27.740 0.082 0.000 2.724 812 C HN 0.903 nan 8.230 nan 0.000 0.677 813 S N 0.815 116.561 115.700 0.077 0.000 2.516 813 S HA 0.402 4.871 4.470 -0.002 0.000 0.282 813 S C 1.158 175.799 174.600 0.068 0.000 1.286 813 S CA 0.793 59.013 58.200 0.033 0.000 1.066 813 S CB -0.334 62.850 63.200 -0.027 0.000 0.884 813 S HN 1.934 nan 8.310 nan 0.000 0.491 814 G N 3.136 111.993 108.800 0.095 0.000 2.143 814 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.249 814 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.249 814 G C 0.588 175.504 174.900 0.027 0.000 0.981 814 G CA -0.053 45.078 45.100 0.052 0.000 0.665 814 G HN 1.172 nan 8.290 nan 0.000 0.528 815 C N 1.214 120.526 119.300 0.020 0.000 2.465 815 C HA 0.449 4.908 4.460 -0.002 0.000 0.402 815 C C 2.201 177.162 174.990 -0.048 0.000 1.448 815 C CA 1.167 60.164 59.018 -0.034 0.000 1.589 815 C CB -0.110 27.550 27.740 -0.133 0.000 2.535 815 C HN 1.097 nan 8.230 nan 0.000 0.600 816 G N 3.426 112.222 108.800 -0.007 0.000 2.920 816 G HA2 0.017 3.976 3.960 -0.002 0.000 0.208 816 G HA3 0.017 3.976 3.960 -0.002 0.000 0.208 816 G C 1.265 176.242 174.900 0.129 0.000 1.159 816 G CA 0.341 45.459 45.100 0.030 0.000 0.784 816 G HN 0.917 nan 8.290 nan 0.000 0.535 817 E N 0.371 120.627 120.200 0.094 0.000 2.099 817 E HA -0.073 4.276 4.350 -0.002 0.000 0.191 817 E C 2.813 179.495 176.600 0.137 0.000 0.962 817 E CA 1.202 57.730 56.400 0.213 0.000 0.826 817 E CB -0.251 29.650 29.700 0.335 0.000 0.788 817 E HN 0.444 nan 8.360 nan 0.000 0.461 818 T N 0.124 114.537 114.554 -0.235 0.000 2.759 818 T HA -0.115 4.234 4.350 -0.002 0.000 0.269 818 T C -1.073 173.466 174.700 -0.268 0.000 1.042 818 T CA 0.889 62.707 62.100 -0.470 0.000 1.140 818 T CB -1.486 66.862 68.868 -0.867 0.000 0.864 818 T HN -0.026 nan 8.240 nan 0.000 0.455 819 P HA -0.059 nan 4.420 nan 0.000 0.215 819 P C 0.928 178.076 177.300 -0.252 0.000 1.153 819 P CA 1.079 64.015 63.100 -0.272 0.000 0.853 819 P CB -0.251 31.261 31.700 -0.313 0.000 0.788 820 Y N -0.941 119.284 120.300 -0.124 0.000 2.097 820 Y HA -0.190 4.359 4.550 -0.002 0.000 0.282 820 Y C 2.412 178.274 175.900 -0.064 0.000 1.152 820 Y CA 0.976 59.032 58.100 -0.074 0.000 1.136 820 Y CB -1.503 37.025 38.460 0.113 0.000 0.975 820 Y HN -0.259 nan 8.280 nan 0.000 0.498 821 V N 0.317 120.296 119.914 0.109 0.000 2.343 821 V HA -0.330 3.789 4.120 -0.002 0.000 0.247 821 V C 2.428 178.515 176.094 -0.012 0.000 1.051 821 V CA 2.183 64.511 62.300 0.047 0.000 1.036 821 V CB -0.675 31.310 31.823 0.269 0.000 0.654 821 V HN 0.343 nan 8.190 nan 0.000 0.451 822 R N -0.038 120.391 120.500 -0.118 0.000 2.091 822 R HA -0.160 4.179 4.340 -0.002 0.000 0.238 822 R C 2.168 178.350 176.300 -0.198 0.000 1.136 822 R CA 1.971 57.956 56.100 -0.191 0.000 0.959 822 R CB -0.365 29.777 30.300 -0.262 0.000 0.856 822 R HN 0.394 nan 8.270 nan 0.000 0.437 823 V N 1.151 120.928 119.914 -0.228 0.000 2.427 823 V HA -0.223 3.896 4.120 -0.002 0.000 0.248 823 V C 2.329 178.283 176.094 -0.233 0.000 1.051 823 V CA 1.724 63.854 62.300 -0.284 0.000 1.048 823 V CB -0.349 31.272 31.823 -0.336 0.000 0.666 823 V HN 0.350 nan 8.190 nan 0.000 0.456 824 I N 1.190 121.656 120.570 -0.174 0.000 2.264 824 I HA -0.260 3.909 4.170 -0.002 0.000 0.248 824 I C 2.712 178.716 176.117 -0.189 0.000 1.111 824 I CA 2.096 63.255 61.300 -0.235 0.000 1.382 824 I CB -0.668 37.147 38.000 -0.308 0.000 1.060 824 I HN 0.533 nan 8.210 nan 0.000 0.418 825 T N -2.015 112.478 114.554 -0.102 0.000 2.951 825 T HA -0.172 4.177 4.350 -0.002 0.000 0.268 825 T C 1.685 176.316 174.700 -0.116 0.000 1.073 825 T CA 0.870 62.939 62.100 -0.052 0.000 1.134 825 T CB -0.283 68.589 68.868 0.007 0.000 0.884 825 T HN 0.413 nan 8.240 nan 0.000 0.479 826 Q N -0.101 119.593 119.800 -0.178 0.000 2.369 826 Q HA 0.173 4.512 4.340 -0.002 0.000 0.206 826 Q C 1.624 177.480 176.000 -0.241 0.000 0.963 826 Q CA 0.646 56.342 55.803 -0.179 0.000 0.894 826 Q CB -0.079 28.548 28.738 -0.184 0.000 0.965 826 Q HN 0.416 nan 8.270 nan 0.000 0.475 827 L N -2.300 118.678 121.223 -0.409 0.000 2.388 827 L HA 0.108 4.447 4.340 -0.002 0.000 0.209 827 L C 0.848 177.267 176.870 -0.752 0.000 1.061 827 L CA 1.225 55.639 54.840 -0.711 0.000 0.834 827 L CB 0.424 41.772 42.059 -1.185 0.000 1.029 827 L HN 0.124 nan 8.230 nan 0.000 0.473 828 F N -2.532 117.402 119.950 -0.027 0.000 2.856 828 F HA 0.343 4.869 4.527 -0.002 0.000 0.338 828 F C 2.075 177.878 175.800 0.006 0.000 1.100 828 F CA 0.165 58.180 58.000 0.025 0.000 1.150 828 F CB -0.624 38.433 39.000 0.095 0.000 1.101 828 F HN -0.073 nan 8.300 nan 0.000 0.548 829 G N 1.623 110.476 108.800 0.089 0.000 2.597 829 G HA2 -0.360 3.599 3.960 -0.002 0.000 0.222 829 G HA3 -0.360 3.599 3.960 -0.002 0.000 0.222 829 G C 1.640 176.575 174.900 0.058 0.000 1.135 829 G CA 1.687 46.826 45.100 0.064 0.000 0.759 829 G HN 0.450 nan 8.290 nan 0.000 0.595 830 E N 1.345 121.577 120.200 0.054 0.000 2.472 830 E HA -0.152 4.197 4.350 -0.002 0.000 0.200 830 E C 1.807 178.430 176.600 0.037 0.000 1.046 830 E CA 0.964 57.386 56.400 0.036 0.000 0.871 830 E CB -0.203 29.517 29.700 0.034 0.000 0.806 830 E HN 0.731 nan 8.360 nan 0.000 0.533 831 R N 0.546 121.093 120.500 0.078 0.000 2.592 831 R HA 0.309 4.648 4.340 -0.002 0.000 0.439 831 R C 0.536 176.893 176.300 0.094 0.000 0.995 831 R CA -0.319 55.825 56.100 0.074 0.000 1.141 831 R CB -0.285 30.094 30.300 0.132 0.000 1.495 831 R HN 0.102 nan 8.270 nan 0.000 0.579 832 M N -0.573 119.067 119.600 0.068 0.000 2.537 832 M HA 0.574 5.053 4.480 -0.002 0.000 0.324 832 M C -1.514 174.771 176.300 -0.026 0.000 1.187 832 M CA -0.667 54.716 55.300 0.139 0.000 0.993 832 M CB 1.454 34.168 32.600 0.190 0.000 1.666 832 M HN -0.182 nan 8.290 nan 0.000 0.461 833 F N 1.708 121.680 119.950 0.037 0.000 2.480 833 F HA 0.678 5.204 4.527 -0.001 0.000 0.329 833 F C -0.364 175.348 175.800 -0.146 0.000 1.091 833 F CA -0.579 57.379 58.000 -0.070 0.000 0.972 833 F CB 1.877 40.818 39.000 -0.098 0.000 1.150 833 F HN 0.465 nan 8.300 nan 0.000 0.467 834 I N 2.627 123.124 120.570 -0.121 0.000 2.439 834 I HA 0.468 4.637 4.170 -0.002 0.000 0.285 834 I C -0.774 175.032 176.117 -0.519 0.000 1.021 834 I CA -0.803 60.246 61.300 -0.419 0.000 1.091 834 I CB 1.757 39.360 38.000 -0.661 0.000 1.242 834 I HN 0.646 nan 8.210 nan 0.000 0.439 835 A N 5.245 127.821 122.820 -0.407 0.000 2.280 835 A HA 0.467 4.786 4.320 -0.002 0.000 0.320 835 A C -0.514 176.865 177.584 -0.342 0.000 1.366 835 A CA -0.434 51.411 52.037 -0.320 0.000 0.938 835 A CB 0.044 18.917 19.000 -0.211 0.000 1.157 835 A HN 0.782 nan 8.150 nan 0.000 0.536 836 N N 1.618 120.002 118.700 -0.527 0.000 2.425 836 N HA 0.559 5.298 4.740 -0.002 0.000 0.268 836 N C 0.152 175.461 175.510 -0.336 0.000 0.991 836 N CA -0.153 52.633 53.050 -0.440 0.000 0.931 836 N CB 1.191 39.300 38.487 -0.629 0.000 1.130 836 N HN 0.753 nan 8.380 nan 0.000 0.493 837 A N 2.338 124.943 122.820 -0.358 0.000 2.386 837 A HA 0.233 4.552 4.320 -0.002 0.000 0.248 837 A C 0.271 177.822 177.584 -0.056 0.000 1.082 837 A CA -0.173 51.684 52.037 -0.300 0.000 0.789 837 A CB 0.107 18.723 19.000 -0.640 0.000 1.025 837 A HN 0.637 nan 8.150 nan 0.000 0.490 838 T N 1.036 115.635 114.554 0.074 0.000 2.940 838 T HA 0.518 4.867 4.350 -0.002 0.000 0.309 838 T C 0.736 175.372 174.700 -0.106 0.000 1.056 838 T CA 1.016 63.107 62.100 -0.015 0.000 1.137 838 T CB 0.631 69.472 68.868 -0.045 0.000 0.976 838 T HN 1.781 nan 8.240 nan 0.000 0.547 839 G N 0.163 108.871 108.800 -0.153 0.000 2.352 839 G HA2 0.070 4.029 3.960 -0.002 0.000 0.283 839 G HA3 0.070 4.029 3.960 -0.002 0.000 0.283 839 G C 0.825 175.656 174.900 -0.115 0.000 1.308 839 G CA -0.249 44.753 45.100 -0.163 0.000 0.892 839 G HN 0.679 nan 8.290 nan 0.000 0.504 840 C N 0.502 119.768 119.300 -0.057 0.000 2.401 840 C HA -0.057 4.402 4.460 -0.002 0.000 0.276 840 C C 3.420 178.176 174.990 -0.389 0.000 1.233 840 C CA 2.854 61.855 59.018 -0.028 0.000 1.753 840 C CB -1.314 26.525 27.740 0.165 0.000 2.029 840 C HN 1.097 nan 8.230 nan 0.000 0.478 841 S N 0.887 116.333 115.700 -0.422 0.000 2.447 841 S HA -0.132 4.337 4.470 -0.002 0.000 0.233 841 S C 1.675 175.824 174.600 -0.752 0.000 1.006 841 S CA 1.666 59.260 58.200 -1.009 0.000 0.957 841 S CB -0.579 62.463 63.200 -0.264 0.000 0.773 841 S HN 0.797 nan 8.310 nan 0.000 0.507 842 S N 1.003 116.553 115.700 -0.251 0.000 2.478 842 S HA 0.208 4.677 4.470 -0.002 0.000 0.222 842 S C 1.721 176.289 174.600 -0.054 0.000 1.008 842 S CA 0.030 58.277 58.200 0.078 0.000 0.928 842 S CB -0.410 62.862 63.200 0.120 0.000 0.781 842 S HN 0.381 nan 8.310 nan 0.000 0.518 843 I N 2.157 122.634 120.570 -0.155 0.000 2.277 843 I HA 0.030 4.199 4.170 -0.002 0.000 0.243 843 I C 2.572 178.699 176.117 0.017 0.000 1.094 843 I CA 0.795 62.061 61.300 -0.056 0.000 1.393 843 I CB -1.620 36.371 38.000 -0.015 0.000 1.078 843 I HN 0.655 nan 8.210 nan 0.000 0.417 844 W N 0.983 122.321 121.300 0.062 0.000 2.678 844 W HA 0.191 4.850 4.660 -0.002 0.000 0.256 844 W C 1.763 178.280 176.519 -0.004 0.000 1.280 844 W CA 0.657 58.022 57.345 0.033 0.000 1.345 844 W CB -1.247 28.230 29.460 0.029 0.000 1.118 844 W HN 0.097 nan 8.180 nan 0.000 0.629 845 G N 1.199 109.934 108.800 -0.109 0.000 2.430 845 G HA2 0.162 4.121 3.960 -0.002 0.000 0.216 845 G HA3 0.162 4.121 3.960 -0.002 0.000 0.216 845 G C 1.023 175.678 174.900 -0.409 0.000 1.146 845 G CA 1.043 46.049 45.100 -0.156 0.000 0.793 845 G HN 0.315 nan 8.290 nan 0.000 0.537 846 A N -0.187 122.426 122.820 -0.345 0.000 3.214 846 A HA 0.590 4.909 4.320 -0.002 0.000 0.203 846 A C 0.094 177.576 177.584 -0.170 0.000 0.960 846 A CA -0.260 51.566 52.037 -0.353 0.000 1.113 846 A CB 0.094 18.728 19.000 -0.610 0.000 1.280 846 A HN 0.033 nan 8.150 nan 0.000 0.573 847 S N 1.832 117.482 115.700 -0.084 0.000 2.422 847 S HA 0.518 4.987 4.470 -0.002 0.000 0.283 847 S C 0.834 175.379 174.600 -0.092 0.000 1.163 847 S CA 0.147 58.316 58.200 -0.052 0.000 1.054 847 S CB 0.743 63.958 63.200 0.024 0.000 0.967 847 S HN 1.082 nan 8.310 nan 0.000 0.499 848 A N 5.439 128.142 122.820 -0.195 0.000 2.531 848 A HA 0.290 4.609 4.320 -0.002 0.000 0.236 848 A C -1.018 176.544 177.584 -0.037 0.000 1.062 848 A CA -0.739 51.120 52.037 -0.297 0.000 0.760 848 A CB -0.089 18.657 19.000 -0.424 0.000 0.995 848 A HN 0.640 nan 8.150 nan 0.000 0.501 849 P HA 0.109 nan 4.420 nan 0.000 0.266 849 P C 0.029 177.470 177.300 0.236 0.000 1.381 849 P CA 0.073 63.290 63.100 0.196 0.000 0.940 849 P CB 0.321 32.224 31.700 0.339 0.000 1.435 850 S N 1.440 117.224 115.700 0.140 0.000 2.411 850 S HA 0.462 4.931 4.470 -0.002 0.000 0.294 850 S C 0.091 174.758 174.600 0.111 0.000 1.115 850 S CA -0.523 57.783 58.200 0.177 0.000 1.071 850 S CB -0.321 62.983 63.200 0.172 0.000 0.967 850 S HN -0.095 nan 8.310 nan 0.000 0.488 851 M N 8.141 127.829 119.600 0.147 0.000 2.036 851 M HA 0.321 4.800 4.480 -0.002 0.000 0.337 851 M C -1.896 174.441 176.300 0.062 0.000 1.012 851 M CA -2.643 52.705 55.300 0.079 0.000 0.962 851 M CB 1.157 33.829 32.600 0.120 0.000 1.423 851 M HN 0.395 nan 8.290 nan 0.000 0.405 852 P HA -0.088 nan 4.420 nan 0.000 0.222 852 P C -0.054 177.131 177.300 -0.192 0.000 1.153 852 P CA 0.932 63.972 63.100 -0.100 0.000 0.798 852 P CB 0.129 31.759 31.700 -0.117 0.000 0.796 853 Y N 2.064 122.299 120.300 -0.108 0.000 2.425 853 Y HA 0.139 4.688 4.550 -0.002 0.000 0.331 853 Y C 1.587 177.438 175.900 -0.081 0.000 1.157 853 Y CA 0.350 58.395 58.100 -0.091 0.000 1.372 853 Y CB 0.510 38.909 38.460 -0.102 0.000 1.253 853 Y HN 0.019 nan 8.280 nan 0.000 0.536 854 K N -0.544 119.883 120.400 0.045 0.000 2.399 854 K HA 0.749 5.068 4.320 -0.002 0.000 0.260 854 K C -1.009 175.596 176.600 0.008 0.000 1.049 854 K CA -1.059 55.228 56.287 0.000 0.000 0.890 854 K CB 1.468 33.921 32.500 -0.078 0.000 1.430 854 K HN 0.503 nan 8.250 nan 0.000 0.459 855 T N -1.045 113.504 114.554 -0.007 0.000 2.944 855 T HA 0.326 4.675 4.350 -0.002 0.000 0.284 855 T C 0.130 174.818 174.700 -0.020 0.000 1.010 855 T CA -0.809 61.286 62.100 -0.007 0.000 1.025 855 T CB 0.738 69.602 68.868 -0.006 0.000 1.079 855 T HN 0.744 nan 8.240 nan 0.000 0.516 856 N N 0.521 119.211 118.700 -0.016 0.000 2.431 856 N HA 0.183 4.922 4.740 -0.002 0.000 0.289 856 N C 1.403 176.903 175.510 -0.016 0.000 1.277 856 N CA -1.009 52.029 53.050 -0.020 0.000 0.972 856 N CB 0.271 38.749 38.487 -0.015 0.000 1.143 856 N HN 0.816 nan 8.380 nan 0.000 0.578 857 R N -1.404 119.087 120.500 -0.015 0.000 2.159 857 R HA -0.043 4.296 4.340 -0.002 0.000 0.237 857 R C 0.479 176.775 176.300 -0.007 0.000 1.131 857 R CA 1.088 57.181 56.100 -0.012 0.000 0.982 857 R CB -0.703 29.589 30.300 -0.013 0.000 0.868 857 R HN 0.362 nan 8.270 nan 0.000 0.453 858 L N 0.591 121.810 121.223 -0.007 0.000 2.611 858 L HA 0.307 4.646 4.340 -0.002 0.000 0.229 858 L C 1.240 178.105 176.870 -0.007 0.000 1.137 858 L CA 1.129 55.966 54.840 -0.005 0.000 0.901 858 L CB 0.361 42.419 42.059 -0.001 0.000 1.098 858 L HN 0.583 nan 8.230 nan 0.000 0.456 859 G N -0.982 107.813 108.800 -0.008 0.000 2.159 859 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.256 859 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.256 859 G C 0.409 175.300 174.900 -0.015 0.000 0.977 859 G CA 0.044 45.138 45.100 -0.010 0.000 0.652 859 G HN 0.430 nan 8.290 nan 0.000 0.531 860 Q N -0.287 119.505 119.800 -0.014 0.000 2.230 860 Q HA 0.626 4.965 4.340 -0.002 0.000 0.248 860 Q C 0.475 176.466 176.000 -0.014 0.000 0.915 860 Q CA 0.125 55.916 55.803 -0.019 0.000 0.900 860 Q CB 1.907 30.640 28.738 -0.010 0.000 1.229 860 Q HN 0.843 nan 8.270 nan 0.000 0.439 861 G N 1.258 110.044 108.800 -0.023 0.000 2.523 861 G HA2 0.386 4.345 3.960 -0.002 0.000 0.291 861 G HA3 0.386 4.345 3.960 -0.002 0.000 0.291 861 G C -3.083 171.805 174.900 -0.021 0.000 1.450 861 G CA -1.071 44.028 45.100 -0.001 0.000 0.790 861 G HN 0.296 nan 8.290 nan 0.000 0.496 862 P HA 0.389 nan 4.420 nan 0.000 0.263 862 P C -0.041 177.220 177.300 -0.066 0.000 1.195 862 P CA 0.214 63.301 63.100 -0.021 0.000 0.762 862 P CB 1.018 32.754 31.700 0.060 0.000 0.799 863 A N 4.196 126.916 122.820 -0.168 0.000 2.376 863 A HA 0.240 4.559 4.320 -0.002 0.000 0.298 863 A C -0.821 176.737 177.584 -0.042 0.000 1.271 863 A CA -0.378 51.573 52.037 -0.143 0.000 0.926 863 A CB -0.556 18.226 19.000 -0.363 0.000 1.141 863 A HN 0.627 nan 8.150 nan 0.000 0.539 864 W N 2.714 123.895 121.300 -0.199 0.000 2.469 864 W HA 0.586 5.245 4.660 -0.001 0.000 0.320 864 W C 0.260 176.726 176.519 -0.088 0.000 1.086 864 W CA 0.247 57.448 57.345 -0.240 0.000 1.211 864 W CB 1.820 31.018 29.460 -0.436 0.000 1.298 864 W HN 0.862 nan 8.180 nan 0.000 0.525 865 G N 4.235 112.763 108.800 -0.455 0.000 2.746 865 G HA2 0.206 4.165 3.960 -0.002 0.000 0.297 865 G HA3 0.206 4.165 3.960 -0.002 0.000 0.297 865 G C -2.085 172.464 174.900 -0.584 0.000 1.426 865 G CA -0.960 44.008 45.100 -0.220 0.000 0.989 865 G HN 0.539 nan 8.290 nan 0.000 0.520 866 N N 1.740 120.213 118.700 -0.378 0.000 2.479 866 N HA 0.317 5.056 4.740 -0.002 0.000 0.261 866 N C 0.453 175.782 175.510 -0.301 0.000 0.979 866 N CA -0.385 52.451 53.050 -0.358 0.000 0.930 866 N CB 2.165 40.578 38.487 -0.124 0.000 1.172 866 N HN 0.357 nan 8.380 nan 0.000 0.499 867 S N 3.824 119.188 115.700 -0.560 0.000 2.291 867 S HA 0.370 4.839 4.470 -0.002 0.000 0.185 867 S C 0.680 175.090 174.600 -0.316 0.000 0.996 867 S CA 0.388 58.171 58.200 -0.695 0.000 0.997 867 S CB 0.023 62.461 63.200 -1.271 0.000 0.899 867 S HN 0.553 nan 8.310 nan 0.000 0.493 868 L N -1.019 120.064 121.223 -0.234 0.000 2.170 868 L HA 0.494 4.833 4.340 -0.002 0.000 0.247 868 L C 0.542 177.448 176.870 0.059 0.000 1.078 868 L CA -0.706 54.097 54.840 -0.061 0.000 0.936 868 L CB 0.611 42.648 42.059 -0.036 0.000 1.528 868 L HN 0.380 nan 8.230 nan 0.000 0.455 869 F N 1.266 121.195 119.950 -0.034 0.000 2.219 869 F HA -0.053 4.474 4.527 -0.001 0.000 0.294 869 F C 2.269 178.158 175.800 0.149 0.000 1.086 869 F CA 1.464 59.480 58.000 0.028 0.000 1.330 869 F CB -0.063 38.968 39.000 0.053 0.000 1.047 869 F HN 0.627 nan 8.300 nan 0.000 0.495 870 E N 0.087 120.317 120.200 0.049 0.000 2.427 870 E HA -0.128 4.221 4.350 -0.002 0.000 0.196 870 E C 0.455 177.113 176.600 0.095 0.000 1.028 870 E CA 1.202 57.584 56.400 -0.030 0.000 0.864 870 E CB -0.737 28.924 29.700 -0.065 0.000 0.813 870 E HN 0.577 nan 8.360 nan 0.000 0.514 871 D N 0.161 120.618 120.400 0.096 0.000 2.440 871 D HA 0.256 4.895 4.640 -0.002 0.000 0.216 871 D C 1.445 177.841 176.300 0.159 0.000 1.150 871 D CA 0.381 54.448 54.000 0.112 0.000 0.832 871 D CB 0.399 41.216 40.800 0.028 0.000 0.992 871 D HN 0.109 nan 8.370 nan 0.000 0.502 872 A N 1.283 124.173 122.820 0.117 0.000 1.903 872 A HA -0.100 4.219 4.320 -0.002 0.000 0.219 872 A C 2.406 180.083 177.584 0.155 0.000 1.191 872 A CA 2.585 54.597 52.037 -0.043 0.000 0.638 872 A CB -0.992 17.571 19.000 -0.729 0.000 0.823 872 A HN 0.408 nan 8.150 nan 0.000 0.451 873 A N -0.456 122.613 122.820 0.415 0.000 1.877 873 A HA -0.134 4.185 4.320 -0.002 0.000 0.216 873 A C 1.881 179.614 177.584 0.249 0.000 1.186 873 A CA 1.902 54.164 52.037 0.374 0.000 0.620 873 A CB -0.548 18.704 19.000 0.419 0.000 0.822 873 A HN 0.569 nan 8.150 nan 0.000 0.443 874 E N -1.452 118.879 120.200 0.218 0.000 2.106 874 E HA -0.165 4.184 4.350 -0.002 0.000 0.192 874 E C 1.799 178.557 176.600 0.265 0.000 0.984 874 E CA 1.291 57.814 56.400 0.206 0.000 0.806 874 E CB -0.413 29.361 29.700 0.125 0.000 0.750 874 E HN 0.728 nan 8.360 nan 0.000 0.458 875 Y N 1.067 121.407 120.300 0.067 0.000 2.145 875 Y HA -0.115 4.434 4.550 -0.002 0.000 0.286 875 Y C 2.310 178.209 175.900 -0.002 0.000 1.145 875 Y CA 1.758 59.864 58.100 0.010 0.000 1.148 875 Y CB -0.824 37.608 38.460 -0.047 0.000 0.981 875 Y HN 0.037 nan 8.280 nan 0.000 0.507 876 G N -0.873 107.921 108.800 -0.011 0.000 2.408 876 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.217 876 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.217 876 G C 1.697 176.561 174.900 -0.059 0.000 1.150 876 G CA 0.709 45.730 45.100 -0.131 0.000 0.776 876 G HN 0.479 nan 8.290 nan 0.000 0.542 877 F N 2.531 122.439 119.950 -0.071 0.000 2.161 877 F HA 0.004 4.530 4.527 -0.002 0.000 0.300 877 F C 2.505 178.249 175.800 -0.093 0.000 1.089 877 F CA 1.454 59.415 58.000 -0.065 0.000 1.282 877 F CB -0.391 38.604 39.000 -0.009 0.000 1.010 877 F HN 0.111 nan 8.300 nan 0.000 0.485 878 G N 0.157 108.931 108.800 -0.045 0.000 2.402 878 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.216 878 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.216 878 G C 1.676 176.422 174.900 -0.256 0.000 1.162 878 G CA 0.940 45.960 45.100 -0.133 0.000 0.777 878 G HN 0.387 nan 8.290 nan 0.000 0.539 879 M N 0.721 120.122 119.600 -0.331 0.000 2.108 879 M HA -0.091 4.388 4.480 -0.002 0.000 0.261 879 M C 2.413 178.417 176.300 -0.494 0.000 1.066 879 M CA 1.762 56.775 55.300 -0.478 0.000 1.107 879 M CB -0.411 31.808 32.600 -0.635 0.000 1.356 879 M HN 0.382 nan 8.290 nan 0.000 0.406 880 N N 0.753 119.195 118.700 -0.430 0.000 2.120 880 N HA -0.150 4.589 4.740 -0.002 0.000 0.188 880 N C 1.561 176.876 175.510 -0.326 0.000 1.024 880 N CA 1.730 54.557 53.050 -0.372 0.000 0.852 880 N CB -0.130 38.145 38.487 -0.354 0.000 1.003 880 N HN 0.280 nan 8.380 nan 0.000 0.424 881 M N -0.473 118.871 119.600 -0.425 0.000 2.117 881 M HA -0.132 4.347 4.480 -0.002 0.000 0.262 881 M C 2.398 178.634 176.300 -0.107 0.000 1.065 881 M CA 1.486 56.605 55.300 -0.303 0.000 1.114 881 M CB -0.441 31.950 32.600 -0.349 0.000 1.361 881 M HN 0.315 nan 8.290 nan 0.000 0.408 882 S N 0.382 115.994 115.700 -0.146 0.000 2.348 882 S HA -0.149 4.320 4.470 -0.002 0.000 0.221 882 S C 1.979 176.548 174.600 -0.051 0.000 1.033 882 S CA 1.201 59.350 58.200 -0.085 0.000 1.010 882 S CB -0.014 63.116 63.200 -0.115 0.000 0.891 882 S HN 0.302 nan 8.310 nan 0.000 0.442 883 M N 0.290 119.826 119.600 -0.107 0.000 2.149 883 M HA -0.024 4.455 4.480 -0.002 0.000 0.261 883 M C 1.960 178.271 176.300 0.017 0.000 1.064 883 M CA 1.289 56.561 55.300 -0.046 0.000 1.102 883 M CB -1.574 30.964 32.600 -0.103 0.000 1.369 883 M HN 0.530 nan 8.290 nan 0.000 0.408 884 F N 0.968 120.856 119.950 -0.104 0.000 2.075 884 F HA -0.130 4.396 4.527 -0.002 0.000 0.297 884 F C 2.354 178.138 175.800 -0.027 0.000 1.113 884 F CA 1.817 59.775 58.000 -0.071 0.000 1.218 884 F CB -0.382 38.547 39.000 -0.118 0.000 0.984 884 F HN 0.123 nan 8.300 nan 0.000 0.472 885 A N 0.618 123.490 122.820 0.088 0.000 1.877 885 A HA -0.174 4.145 4.320 -0.002 0.000 0.216 885 A C 2.309 179.887 177.584 -0.011 0.000 1.186 885 A CA 1.796 53.848 52.037 0.024 0.000 0.620 885 A CB -0.697 18.345 19.000 0.069 0.000 0.822 885 A HN 0.470 nan 8.150 nan 0.000 0.443 886 R N -0.862 119.650 120.500 0.021 0.000 2.090 886 R HA 0.003 4.342 4.340 -0.002 0.000 0.228 886 R C 2.357 178.690 176.300 0.056 0.000 1.110 886 R CA 1.279 57.419 56.100 0.066 0.000 0.973 886 R CB -0.238 30.095 30.300 0.055 0.000 0.869 886 R HN 0.453 nan 8.270 nan 0.000 0.440 887 R N -0.318 120.196 120.500 0.023 0.000 2.148 887 R HA 0.009 4.348 4.340 -0.002 0.000 0.223 887 R C 1.917 178.248 176.300 0.051 0.000 1.088 887 R CA 1.203 57.356 56.100 0.088 0.000 0.985 887 R CB -0.079 30.295 30.300 0.123 0.000 0.880 887 R HN 0.147 nan 8.270 nan 0.000 0.451 888 T N -0.308 114.169 114.554 -0.130 0.000 2.857 888 T HA -0.158 4.191 4.350 -0.002 0.000 0.266 888 T C 1.566 176.275 174.700 0.015 0.000 1.048 888 T CA 1.119 63.115 62.100 -0.174 0.000 1.139 888 T CB -0.227 68.388 68.868 -0.422 0.000 0.874 888 T HN 0.464 nan 8.240 nan 0.000 0.455 889 H N 0.313 119.337 119.070 -0.076 0.000 2.319 889 H HA -0.083 4.472 4.556 -0.002 0.000 0.299 889 H C 2.354 177.665 175.328 -0.029 0.000 1.092 889 H CA 1.191 57.213 56.048 -0.043 0.000 1.302 889 H CB -0.122 29.619 29.762 -0.035 0.000 1.373 889 H HN 0.181 nan 8.280 nan 0.000 0.497 890 L N 1.110 122.331 121.223 -0.003 0.000 2.042 890 L HA -0.102 4.237 4.340 -0.002 0.000 0.210 890 L C 2.528 179.364 176.870 -0.057 0.000 1.076 890 L CA 1.942 56.702 54.840 -0.132 0.000 0.749 890 L CB -0.977 40.988 42.059 -0.156 0.000 0.893 890 L HN 0.363 nan 8.230 nan 0.000 0.432 891 A N -0.809 122.089 122.820 0.130 0.000 1.933 891 A HA -0.202 4.117 4.320 -0.002 0.000 0.218 891 A C 1.974 179.622 177.584 0.107 0.000 1.175 891 A CA 1.818 54.001 52.037 0.242 0.000 0.628 891 A CB -0.816 18.320 19.000 0.226 0.000 0.814 891 A HN 0.535 nan 8.150 nan 0.000 0.444 892 D N -0.390 120.056 120.400 0.077 0.000 2.144 892 D HA -0.086 4.553 4.640 -0.002 0.000 0.200 892 D C 1.731 178.058 176.300 0.045 0.000 0.978 892 D CA 0.728 54.764 54.000 0.060 0.000 0.833 892 D CB -0.253 40.591 40.800 0.073 0.000 0.961 892 D HN 0.246 nan 8.370 nan 0.000 0.470 893 L N 0.896 122.138 121.223 0.032 0.000 2.056 893 L HA -0.035 4.304 4.340 -0.002 0.000 0.207 893 L C 2.343 179.191 176.870 -0.037 0.000 1.078 893 L CA 1.158 55.989 54.840 -0.014 0.000 0.749 893 L CB -1.206 40.803 42.059 -0.084 0.000 0.901 893 L HN -0.053 nan 8.230 nan 0.000 0.433 894 A N -0.757 122.033 122.820 -0.049 0.000 1.877 894 A HA -0.166 4.153 4.320 -0.002 0.000 0.216 894 A C 2.489 180.070 177.584 -0.005 0.000 1.186 894 A CA 1.877 53.885 52.037 -0.048 0.000 0.620 894 A CB -0.906 18.082 19.000 -0.019 0.000 0.822 894 A HN 0.401 nan 8.150 nan 0.000 0.443 895 A N -0.219 122.612 122.820 0.019 0.000 1.902 895 A HA -0.183 4.136 4.320 -0.002 0.000 0.217 895 A C 2.113 179.699 177.584 0.003 0.000 1.181 895 A CA 1.893 53.939 52.037 0.014 0.000 0.623 895 A CB -0.443 18.569 19.000 0.020 0.000 0.818 895 A HN 0.561 nan 8.150 nan 0.000 0.443 896 K N -0.374 120.027 120.400 0.002 0.000 2.097 896 K HA -0.013 4.306 4.320 -0.002 0.000 0.205 896 K C 2.211 178.806 176.600 -0.008 0.000 1.050 896 K CA 1.022 57.309 56.287 -0.001 0.000 0.938 896 K CB -0.298 32.204 32.500 0.003 0.000 0.718 896 K HN 0.438 nan 8.250 nan 0.000 0.442 897 A N 1.245 124.055 122.820 -0.016 0.000 2.019 897 A HA -0.094 4.225 4.320 -0.002 0.000 0.219 897 A C 2.009 179.582 177.584 -0.018 0.000 1.164 897 A CA 1.081 53.105 52.037 -0.022 0.000 0.644 897 A CB -0.495 18.482 19.000 -0.039 0.000 0.805 897 A HN 0.162 nan 8.150 nan 0.000 0.449 898 L N -0.623 120.591 121.223 -0.014 0.000 2.217 898 L HA -0.049 4.290 4.340 -0.002 0.000 0.211 898 L C 1.037 177.902 176.870 -0.009 0.000 1.107 898 L CA 0.666 55.499 54.840 -0.012 0.000 0.783 898 L CB -0.230 41.824 42.059 -0.010 0.000 0.919 898 L HN 0.261 nan 8.230 nan 0.000 0.442 899 E N 0.864 121.059 120.200 -0.008 0.000 2.320 899 E HA 0.123 4.472 4.350 -0.002 0.000 0.234 899 E C 0.081 176.677 176.600 -0.006 0.000 1.290 899 E CA -0.015 56.381 56.400 -0.006 0.000 1.545 899 E CB 0.159 29.857 29.700 -0.005 0.000 1.379 899 E HN 0.388 nan 8.360 nan 0.000 0.437 900 S N -0.406 115.289 115.700 -0.008 0.000 2.840 900 S HA 0.282 4.751 4.470 -0.002 0.000 0.307 900 S C 0.084 174.680 174.600 -0.007 0.000 1.180 900 S CA -0.787 57.409 58.200 -0.007 0.000 0.846 900 S CB 1.239 64.433 63.200 -0.009 0.000 1.233 900 S HN -0.007 nan 8.310 nan 0.000 0.548 901 D N 0.490 120.887 120.400 -0.006 0.000 2.434 901 D HA 0.369 5.008 4.640 -0.002 0.000 0.232 901 D C 0.716 177.012 176.300 -0.006 0.000 1.166 901 D CA -0.193 53.804 54.000 -0.005 0.000 0.830 901 D CB -0.650 40.147 40.800 -0.004 0.000 0.960 901 D HN 0.770 nan 8.370 nan 0.000 0.497 902 A N 0.797 123.612 122.820 -0.008 0.000 2.507 902 A HA 0.384 4.703 4.320 -0.002 0.000 0.235 902 A C 0.993 178.574 177.584 -0.006 0.000 1.070 902 A CA -0.087 51.945 52.037 -0.009 0.000 0.768 902 A CB 0.095 19.086 19.000 -0.014 0.000 1.011 902 A HN 0.442 nan 8.150 nan 0.000 0.502 903 S N 1.424 117.122 115.700 -0.004 0.000 2.572 903 S HA 0.296 4.765 4.470 -0.002 0.000 0.267 903 S C 1.422 176.023 174.600 0.002 0.000 1.361 903 S CA -0.077 58.123 58.200 -0.000 0.000 1.009 903 S CB 0.537 63.738 63.200 0.001 0.000 0.888 903 S HN 1.448 nan 8.310 nan 0.000 0.553 904 G N 0.627 109.430 108.800 0.005 0.000 2.421 904 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.216 904 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.216 904 G C 0.908 175.817 174.900 0.014 0.000 1.171 904 G CA 0.887 45.991 45.100 0.008 0.000 0.775 904 G HN 0.759 nan 8.290 nan 0.000 0.543 905 D N 0.148 120.558 120.400 0.017 0.000 2.117 905 D HA -0.083 4.556 4.640 -0.002 0.000 0.197 905 D C 2.763 179.079 176.300 0.027 0.000 0.987 905 D CA 0.652 54.668 54.000 0.026 0.000 0.829 905 D CB -0.484 40.330 40.800 0.022 0.000 0.961 905 D HN 0.200 nan 8.370 nan 0.000 0.460 906 V N 1.051 120.972 119.914 0.012 0.000 2.261 906 V HA -0.245 3.874 4.120 -0.002 0.000 0.246 906 V C 2.311 178.404 176.094 -0.001 0.000 1.047 906 V CA 1.640 63.941 62.300 0.002 0.000 1.015 906 V CB -0.351 31.466 31.823 -0.010 0.000 0.642 906 V HN 0.184 nan 8.190 nan 0.000 0.446 907 K N -0.318 120.081 120.400 -0.002 0.000 2.103 907 K HA -0.260 4.059 4.320 -0.002 0.000 0.207 907 K C 2.205 178.803 176.600 -0.003 0.000 1.048 907 K CA 1.836 58.118 56.287 -0.007 0.000 0.930 907 K CB -0.197 32.299 32.500 -0.006 0.000 0.716 907 K HN 0.529 nan 8.250 nan 0.000 0.444 908 E N 0.476 120.685 120.200 0.015 0.000 2.051 908 E HA -0.201 4.149 4.350 -0.002 0.000 0.192 908 E C 1.951 178.579 176.600 0.046 0.000 0.991 908 E CA 1.149 57.567 56.400 0.030 0.000 0.799 908 E CB -0.014 29.722 29.700 0.059 0.000 0.748 908 E HN 0.351 nan 8.360 nan 0.000 0.449 909 A N 0.625 123.499 122.820 0.090 0.000 1.898 909 A HA -0.127 4.192 4.320 -0.002 0.000 0.216 909 A C 2.154 179.769 177.584 0.052 0.000 1.181 909 A CA 0.917 53.059 52.037 0.176 0.000 0.620 909 A CB -0.585 18.496 19.000 0.136 0.000 0.819 909 A HN 0.249 nan 8.150 nan 0.000 0.442 910 L N -0.756 120.466 121.223 -0.002 0.000 2.046 910 L HA -0.276 4.063 4.340 -0.002 0.000 0.208 910 L C 2.922 179.791 176.870 -0.002 0.000 1.077 910 L CA 1.710 56.545 54.840 -0.007 0.000 0.747 910 L CB -0.628 41.413 42.059 -0.031 0.000 0.896 910 L HN 0.490 nan 8.230 nan 0.000 0.432 911 Q N -0.419 119.342 119.800 -0.065 0.000 2.084 911 Q HA -0.153 4.186 4.340 -0.002 0.000 0.202 911 Q C 2.315 178.162 176.000 -0.254 0.000 0.978 911 Q CA 1.437 57.174 55.803 -0.110 0.000 0.844 911 Q CB -0.411 28.269 28.738 -0.097 0.000 0.898 911 Q HN 0.625 nan 8.270 nan 0.000 0.426 912 G N 0.199 108.700 108.800 -0.498 0.000 2.421 912 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.216 912 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.216 912 G C 0.990 175.394 174.900 -0.827 0.000 1.171 912 G CA 0.633 44.968 45.100 -1.274 0.000 0.775 912 G HN 0.479 nan 8.290 nan 0.000 0.543 913 W N 1.150 122.152 121.300 -0.496 0.000 2.355 913 W HA 0.024 4.683 4.660 -0.001 0.000 0.309 913 W C 2.360 178.783 176.519 -0.160 0.000 1.206 913 W CA 1.196 58.429 57.345 -0.185 0.000 1.284 913 W CB -0.280 29.092 29.460 -0.147 0.000 1.145 913 W HN 0.115 nan 8.180 nan 0.000 0.502 914 L N 0.470 121.691 121.223 -0.003 0.000 2.042 914 L HA -0.219 4.120 4.340 -0.002 0.000 0.210 914 L C 2.666 179.368 176.870 -0.281 0.000 1.076 914 L CA 1.488 56.245 54.840 -0.138 0.000 0.749 914 L CB -1.258 40.816 42.059 0.025 0.000 0.893 914 L HN 0.122 nan 8.230 nan 0.000 0.432 915 A N -0.508 122.162 122.820 -0.249 0.000 2.015 915 A HA -0.018 4.301 4.320 -0.002 0.000 0.219 915 A C 1.863 179.310 177.584 -0.228 0.000 1.163 915 A CA 1.554 53.462 52.037 -0.213 0.000 0.646 915 A CB -0.518 18.366 19.000 -0.194 0.000 0.806 915 A HN 0.449 nan 8.150 nan 0.000 0.448 916 G N -0.333 108.288 108.800 -0.298 0.000 4.100 916 G HA2 0.262 4.221 3.960 -0.002 0.000 0.294 916 G HA3 0.262 4.221 3.960 -0.002 0.000 0.294 916 G C 0.892 175.558 174.900 -0.390 0.000 1.040 916 G CA 0.440 45.395 45.100 -0.241 0.000 0.829 916 G HN 0.599 nan 8.290 nan 0.000 0.505 917 K N -0.190 119.794 120.400 -0.692 0.000 2.211 917 K HA -0.047 4.272 4.320 -0.002 0.000 0.204 917 K C 0.946 177.284 176.600 -0.437 0.000 1.047 917 K CA 1.007 56.701 56.287 -0.988 0.000 0.935 917 K CB 0.018 31.613 32.500 -1.507 0.000 0.728 917 K HN 0.071 nan 8.250 nan 0.000 0.452 918 N N 1.213 119.747 118.700 -0.277 0.000 2.235 918 N HA 0.002 4.741 4.740 -0.002 0.000 0.209 918 N C -0.988 174.472 175.510 -0.082 0.000 1.122 918 N CA 0.129 53.096 53.050 -0.138 0.000 0.845 918 N CB 0.407 38.828 38.487 -0.110 0.000 1.004 918 N HN 0.296 nan 8.380 nan 0.000 0.499 919 D N 0.390 120.739 120.400 -0.086 0.000 2.303 919 D HA 0.279 4.918 4.640 -0.002 0.000 0.236 919 D C -1.862 174.447 176.300 0.014 0.000 1.068 919 D CA -2.204 51.780 54.000 -0.025 0.000 0.830 919 D CB 2.301 43.087 40.800 -0.023 0.000 1.109 919 D HN -0.130 nan 8.370 nan 0.000 0.496 920 P HA -0.125 nan 4.420 nan 0.000 0.216 920 P C 1.443 178.798 177.300 0.091 0.000 1.150 920 P CA 0.768 63.921 63.100 0.089 0.000 0.837 920 P CB 0.351 32.123 31.700 0.120 0.000 0.786 921 I N -0.867 119.749 120.570 0.076 0.000 2.206 921 I HA -0.122 4.047 4.170 -0.002 0.000 0.239 921 I C 2.017 178.179 176.117 0.076 0.000 1.078 921 I CA 1.531 62.873 61.300 0.070 0.000 1.367 921 I CB -1.485 36.550 38.000 0.059 0.000 1.078 921 I HN -0.059 nan 8.210 nan 0.000 0.413 922 K N 1.404 121.856 120.400 0.087 0.000 2.097 922 K HA -0.095 4.224 4.320 -0.002 0.000 0.206 922 K C 2.260 178.987 176.600 0.212 0.000 1.049 922 K CA 1.642 58.027 56.287 0.163 0.000 0.933 922 K CB -0.664 31.927 32.500 0.151 0.000 0.717 922 K HN 0.480 nan 8.250 nan 0.000 0.442 923 S N 1.081 116.840 115.700 0.099 0.000 2.368 923 S HA -0.164 4.305 4.470 -0.002 0.000 0.225 923 S C 2.129 176.903 174.600 0.291 0.000 1.030 923 S CA 1.361 59.634 58.200 0.122 0.000 0.999 923 S CB -0.155 63.075 63.200 0.049 0.000 0.844 923 S HN 0.293 nan 8.310 nan 0.000 0.459 924 K N 1.280 121.799 120.400 0.199 0.000 2.062 924 K HA -0.076 4.243 4.320 -0.002 0.000 0.205 924 K C 2.388 179.065 176.600 0.127 0.000 1.051 924 K CA 1.256 57.651 56.287 0.180 0.000 0.941 924 K CB -0.257 32.318 32.500 0.125 0.000 0.719 924 K HN 0.601 nan 8.250 nan 0.000 0.440 925 E N -0.340 119.894 120.200 0.056 0.000 2.021 925 E HA -0.244 4.105 4.350 -0.002 0.000 0.200 925 E C 1.780 178.282 176.600 -0.162 0.000 1.015 925 E CA 1.859 58.191 56.400 -0.113 0.000 0.824 925 E CB -0.198 29.343 29.700 -0.264 0.000 0.762 925 E HN 0.422 nan 8.360 nan 0.000 0.454 926 Y N -0.284 120.077 120.300 0.102 0.000 2.314 926 Y HA 0.021 4.570 4.550 -0.002 0.000 0.293 926 Y C 2.367 178.308 175.900 0.069 0.000 1.129 926 Y CA 0.807 58.965 58.100 0.095 0.000 1.201 926 Y CB -0.520 38.017 38.460 0.129 0.000 0.999 926 Y HN 0.200 nan 8.280 nan 0.000 0.541 927 G N 0.110 109.078 108.800 0.280 0.000 2.446 927 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.217 927 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.217 927 G C 1.220 176.249 174.900 0.215 0.000 1.168 927 G CA 1.409 46.599 45.100 0.150 0.000 0.771 927 G HN 0.269 nan 8.290 nan 0.000 0.551 928 D N 0.571 121.076 120.400 0.174 0.000 2.178 928 D HA -0.040 4.599 4.640 -0.002 0.000 0.201 928 D C 2.465 178.812 176.300 0.079 0.000 0.980 928 D CA 0.776 54.849 54.000 0.123 0.000 0.842 928 D CB -0.106 40.736 40.800 0.069 0.000 0.948 928 D HN 0.329 nan 8.370 nan 0.000 0.472 929 K N 0.164 120.592 120.400 0.047 0.000 2.057 929 K HA -0.008 4.311 4.320 -0.002 0.000 0.206 929 K C 2.294 178.917 176.600 0.039 0.000 1.050 929 K CA 0.474 56.779 56.287 0.031 0.000 0.935 929 K CB -0.082 32.434 32.500 0.027 0.000 0.715 929 K HN 0.143 nan 8.250 nan 0.000 0.439 930 L N 1.216 122.449 121.223 0.018 0.000 2.083 930 L HA -0.201 4.138 4.340 -0.002 0.000 0.209 930 L C 2.250 179.173 176.870 0.088 0.000 1.083 930 L CA 1.344 56.170 54.840 -0.023 0.000 0.752 930 L CB -0.333 41.558 42.059 -0.279 0.000 0.899 930 L HN 0.144 nan 8.230 nan 0.000 0.433 931 K N 0.170 120.680 120.400 0.183 0.000 2.063 931 K HA -0.199 4.120 4.320 -0.002 0.000 0.208 931 K C 2.144 178.788 176.600 0.074 0.000 1.048 931 K CA 1.445 57.828 56.287 0.161 0.000 0.928 931 K CB -0.061 32.522 32.500 0.139 0.000 0.713 931 K HN 0.292 nan 8.250 nan 0.000 0.442 932 K N 0.750 121.184 120.400 0.056 0.000 2.007 932 K HA -0.043 4.276 4.320 -0.002 0.000 0.206 932 K C 2.152 178.767 176.600 0.025 0.000 1.047 932 K CA 1.031 57.337 56.287 0.032 0.000 0.937 932 K CB -0.153 32.362 32.500 0.025 0.000 0.718 932 K HN 0.040 nan 8.250 nan 0.000 0.438 933 L N 0.968 122.206 121.223 0.025 0.000 2.131 933 L HA -0.156 4.183 4.340 -0.002 0.000 0.210 933 L C 1.930 178.807 176.870 0.012 0.000 1.092 933 L CA 1.037 55.887 54.840 0.016 0.000 0.759 933 L CB -0.256 41.811 42.059 0.013 0.000 0.903 933 L HN 0.182 nan 8.230 nan 0.000 0.435 934 L N -0.513 120.721 121.223 0.019 0.000 2.640 934 L HA 0.273 4.612 4.340 -0.002 0.000 0.230 934 L C 1.102 177.981 176.870 0.014 0.000 1.123 934 L CA -0.634 54.215 54.840 0.015 0.000 0.900 934 L CB -0.195 41.877 42.059 0.021 0.000 1.146 934 L HN 0.055 nan 8.230 nan 0.000 0.484 935 A N 0.550 123.380 122.820 0.016 0.000 2.566 935 A HA 0.356 4.675 4.320 -0.002 0.000 0.245 935 A C 1.461 179.046 177.584 0.002 0.000 1.056 935 A CA 0.960 53.002 52.037 0.008 0.000 0.757 935 A CB -0.299 18.706 19.000 0.008 0.000 0.979 935 A HN 0.629 nan 8.150 nan 0.000 0.508 936 G N 0.977 109.775 108.800 -0.003 0.000 2.195 936 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.246 936 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.246 936 G C 0.379 175.275 174.900 -0.006 0.000 0.984 936 G CA 0.586 45.682 45.100 -0.005 0.000 0.633 936 G HN 1.206 nan 8.290 nan 0.000 0.525 937 Q N 0.404 120.200 119.800 -0.006 0.000 2.297 937 Q HA 0.667 5.006 4.340 -0.002 0.000 0.267 937 Q C 0.830 176.823 176.000 -0.012 0.000 1.006 937 Q CA 0.470 56.269 55.803 -0.008 0.000 0.896 937 Q CB 0.968 29.702 28.738 -0.008 0.000 1.186 937 Q HN 0.218 nan 8.270 nan 0.000 0.392 938 K N 1.869 122.262 120.400 -0.012 0.000 2.477 938 K HA 0.281 4.600 4.320 -0.002 0.000 0.208 938 K C -1.197 175.396 176.600 -0.013 0.000 1.117 938 K CA -0.014 56.265 56.287 -0.014 0.000 1.039 938 K CB 0.867 33.360 32.500 -0.012 0.000 0.937 938 K HN 0.620 nan 8.250 nan 0.000 0.570 939 D N -0.462 119.931 120.400 -0.012 0.000 2.340 939 D HA 0.610 5.249 4.640 -0.002 0.000 0.240 939 D C 0.532 176.825 176.300 -0.012 0.000 1.001 939 D CA 0.047 54.041 54.000 -0.011 0.000 0.888 939 D CB 1.522 42.317 40.800 -0.008 0.000 1.310 939 D HN 0.116 nan 8.370 nan 0.000 0.474 940 G N 0.120 108.914 108.800 -0.010 0.000 2.598 940 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.269 940 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.269 940 G C 0.711 175.601 174.900 -0.016 0.000 1.289 940 G CA 0.120 45.214 45.100 -0.010 0.000 0.926 940 G HN 0.529 nan 8.290 nan 0.000 0.567 941 L N -0.873 120.340 121.223 -0.016 0.000 1.990 941 L HA -0.005 4.334 4.340 -0.002 0.000 0.213 941 L C 2.881 179.730 176.870 -0.036 0.000 1.072 941 L CA 2.781 57.606 54.840 -0.024 0.000 0.755 941 L CB -0.895 41.152 42.059 -0.021 0.000 0.889 941 L HN 0.568 nan 8.230 nan 0.000 0.432 942 L N -0.249 120.956 121.223 -0.031 0.000 2.131 942 L HA -0.089 4.250 4.340 -0.002 0.000 0.210 942 L C 2.494 179.346 176.870 -0.030 0.000 1.092 942 L CA 1.838 56.658 54.840 -0.033 0.000 0.759 942 L CB -1.738 40.306 42.059 -0.025 0.000 0.903 942 L HN 0.393 nan 8.230 nan 0.000 0.435 943 G N -1.691 107.093 108.800 -0.026 0.000 2.404 943 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.215 943 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.215 943 G C 1.495 176.374 174.900 -0.036 0.000 1.174 943 G CA 0.424 45.509 45.100 -0.025 0.000 0.780 943 G HN 0.425 nan 8.290 nan 0.000 0.537 944 Q N -0.178 119.596 119.800 -0.045 0.000 2.050 944 Q HA -0.027 4.312 4.340 -0.002 0.000 0.202 944 Q C 2.637 178.584 176.000 -0.088 0.000 0.980 944 Q CA 1.113 56.874 55.803 -0.069 0.000 0.840 944 Q CB -0.227 28.464 28.738 -0.078 0.000 0.898 944 Q HN 0.523 nan 8.270 nan 0.000 0.424 945 I N 0.647 121.169 120.570 -0.080 0.000 2.286 945 I HA -0.264 3.905 4.170 -0.002 0.000 0.248 945 I C 2.402 178.530 176.117 0.018 0.000 1.115 945 I CA 0.899 62.157 61.300 -0.071 0.000 1.392 945 I CB -0.406 37.532 38.000 -0.104 0.000 1.065 945 I HN 0.158 nan 8.210 nan 0.000 0.418 946 A N 0.704 123.529 122.820 0.007 0.000 1.972 946 A HA -0.079 4.240 4.320 -0.002 0.000 0.219 946 A C 2.369 179.929 177.584 -0.040 0.000 1.169 946 A CA 1.657 53.711 52.037 0.028 0.000 0.635 946 A CB -0.609 18.393 19.000 0.004 0.000 0.810 946 A HN 0.432 nan 8.150 nan 0.000 0.446 947 A N -1.288 121.495 122.820 -0.063 0.000 2.238 947 A HA 0.340 4.659 4.320 -0.002 0.000 0.208 947 A C 1.499 179.003 177.584 -0.134 0.000 1.177 947 A CA 0.605 52.588 52.037 -0.090 0.000 0.804 947 A CB -0.463 18.496 19.000 -0.068 0.000 0.823 947 A HN 0.489 nan 8.150 nan 0.000 0.482 948 M N -0.038 119.465 119.600 -0.162 0.000 2.673 948 M HA 0.044 4.523 4.480 -0.002 0.000 0.334 948 M C 1.636 177.640 176.300 -0.494 0.000 1.211 948 M CA 0.405 55.582 55.300 -0.205 0.000 0.962 948 M CB 0.347 32.871 32.600 -0.125 0.000 1.343 948 M HN 0.484 nan 8.290 nan 0.000 0.511 949 S N 0.582 115.824 115.700 -0.764 0.000 2.400 949 S HA -0.191 4.278 4.470 -0.002 0.000 0.232 949 S C 1.330 175.441 174.600 -0.816 0.000 1.025 949 S CA 1.852 59.182 58.200 -1.451 0.000 0.993 949 S CB -0.496 62.244 63.200 -0.767 0.000 0.808 949 S HN 0.636 nan 8.310 nan 0.000 0.478 950 D N 1.134 121.301 120.400 -0.389 0.000 2.378 950 D HA 0.011 4.650 4.640 -0.002 0.000 0.227 950 D C 1.349 177.604 176.300 -0.075 0.000 1.012 950 D CA 0.306 54.196 54.000 -0.183 0.000 0.905 950 D CB -0.460 40.275 40.800 -0.109 0.000 0.895 950 D HN 0.524 nan 8.370 nan 0.000 0.532 951 L N -1.189 119.978 121.223 -0.092 0.000 2.664 951 L HA 0.191 4.530 4.340 -0.002 0.000 0.233 951 L C 1.709 178.756 176.870 0.296 0.000 1.113 951 L CA -0.302 54.596 54.840 0.096 0.000 0.896 951 L CB -0.122 41.980 42.059 0.071 0.000 1.163 951 L HN -0.010 nan 8.230 nan 0.000 0.497 952 Y N 0.637 120.990 120.300 0.087 0.000 2.070 952 Y HA -0.142 4.407 4.550 -0.002 0.000 0.280 952 Y C 1.314 177.489 175.900 0.458 0.000 1.148 952 Y CA 0.296 58.525 58.100 0.215 0.000 1.125 952 Y CB -0.339 38.158 38.460 0.061 0.000 0.975 952 Y HN 0.029 nan 8.280 nan 0.000 0.492 953 T N 2.261 117.075 114.554 0.435 0.000 2.870 953 T HA 0.057 4.406 4.350 -0.002 0.000 0.300 953 T C -0.077 174.774 174.700 0.252 0.000 0.989 953 T CA -0.604 61.680 62.100 0.308 0.000 1.139 953 T CB 0.894 69.887 68.868 0.209 0.000 0.920 953 T HN -0.006 nan 8.240 nan 0.000 0.537 954 K N 4.107 124.623 120.400 0.193 0.000 2.453 954 K HA 0.026 4.345 4.320 -0.002 0.000 0.280 954 K C 0.163 176.856 176.600 0.156 0.000 1.045 954 K CA 0.387 56.758 56.287 0.140 0.000 1.059 954 K CB 0.283 32.825 32.500 0.070 0.000 0.901 954 K HN 0.249 nan 8.250 nan 0.000 0.475 955 K N 2.161 122.670 120.400 0.181 0.000 2.090 955 K HA 0.236 4.555 4.320 -0.002 0.000 0.250 955 K C -0.440 176.275 176.600 0.192 0.000 1.004 955 K CA -0.528 55.900 56.287 0.235 0.000 0.919 955 K CB 1.592 34.343 32.500 0.419 0.000 1.045 955 K HN 0.552 nan 8.250 nan 0.000 0.471 956 S N 0.857 116.705 115.700 0.248 0.000 2.669 956 S HA 0.290 4.759 4.470 -0.002 0.000 0.315 956 S C -0.923 173.857 174.600 0.299 0.000 1.106 956 S CA -0.712 57.605 58.200 0.195 0.000 1.107 956 S CB 0.377 63.727 63.200 0.251 0.000 0.990 956 S HN 0.235 nan 8.310 nan 0.000 0.471 957 V N 6.067 126.029 119.914 0.081 0.000 2.408 957 V HA 0.412 4.531 4.120 -0.002 0.000 0.267 957 V C -0.592 175.458 176.094 -0.074 0.000 1.047 957 V CA -0.290 62.041 62.300 0.052 0.000 0.937 957 V CB 0.074 31.825 31.823 -0.121 0.000 0.999 957 V HN 0.825 nan 8.190 nan 0.000 0.472 958 W N 4.731 126.017 121.300 -0.024 0.000 2.689 958 W HA 0.736 5.395 4.660 -0.001 0.000 0.340 958 W C -0.395 176.079 176.519 -0.075 0.000 1.060 958 W CA -0.619 56.725 57.345 -0.001 0.000 1.218 958 W CB 1.542 30.990 29.460 -0.020 0.000 1.410 958 W HN 0.321 nan 8.180 nan 0.000 0.528 959 I N 3.438 124.203 120.570 0.325 0.000 2.411 959 I HA 0.317 4.486 4.170 -0.002 0.000 0.284 959 I C -0.738 175.664 176.117 0.475 0.000 1.012 959 I CA -0.545 60.876 61.300 0.201 0.000 1.119 959 I CB 0.628 38.741 38.000 0.188 0.000 1.261 959 I HN 0.202 nan 8.210 nan 0.000 0.448 960 F N 3.928 123.903 119.950 0.041 0.000 2.422 960 F HA 0.788 5.314 4.527 -0.002 0.000 0.333 960 F C 0.848 176.532 175.800 -0.193 0.000 1.095 960 F CA -0.776 57.291 58.000 0.111 0.000 1.038 960 F CB 2.220 41.336 39.000 0.193 0.000 1.156 960 F HN 0.491 nan 8.300 nan 0.000 0.483 961 G N 1.071 109.945 108.800 0.124 0.000 2.547 961 G HA2 0.459 4.418 3.960 -0.002 0.000 0.291 961 G HA3 0.459 4.418 3.960 -0.002 0.000 0.291 961 G C -1.270 173.844 174.900 0.356 0.000 1.471 961 G CA -0.570 44.561 45.100 0.051 0.000 0.798 961 G HN 0.896 nan 8.290 nan 0.000 0.504 962 G N -0.983 108.056 108.800 0.398 0.000 2.557 962 G HA2 0.474 4.433 3.960 -0.002 0.000 0.292 962 G HA3 0.474 4.433 3.960 -0.002 0.000 0.292 962 G C 0.880 176.049 174.900 0.450 0.000 1.237 962 G CA 0.547 45.853 45.100 0.343 0.000 0.978 962 G HN 0.700 nan 8.290 nan 0.000 0.498 963 D N -0.711 119.888 120.400 0.331 0.000 2.178 963 D HA -0.099 4.540 4.640 -0.002 0.000 0.202 963 D C 2.175 178.707 176.300 0.387 0.000 0.974 963 D CA 1.260 55.469 54.000 0.348 0.000 0.841 963 D CB -0.722 40.096 40.800 0.029 0.000 0.953 963 D HN 0.468 nan 8.370 nan 0.000 0.478 964 G N 0.465 109.491 108.800 0.376 0.000 2.446 964 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.217 964 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.217 964 G C 1.405 176.474 174.900 0.281 0.000 1.168 964 G CA 0.860 46.182 45.100 0.369 0.000 0.771 964 G HN 0.440 nan 8.290 nan 0.000 0.551 965 W N 1.861 123.269 121.300 0.181 0.000 2.354 965 W HA 0.113 4.772 4.660 -0.001 0.000 0.315 965 W C 2.661 179.216 176.519 0.060 0.000 1.206 965 W CA 2.347 59.666 57.345 -0.042 0.000 1.290 965 W CB -0.483 29.040 29.460 0.106 0.000 1.152 965 W HN 0.240 nan 8.180 nan 0.000 0.489 966 A N -0.753 121.895 122.820 -0.286 0.000 1.902 966 A HA -0.175 4.144 4.320 -0.002 0.000 0.217 966 A C 1.811 179.217 177.584 -0.297 0.000 1.181 966 A CA 1.801 53.453 52.037 -0.641 0.000 0.623 966 A CB -1.305 17.589 19.000 -0.176 0.000 0.818 966 A HN 0.526 nan 8.150 nan 0.000 0.443 967 Y N -0.348 119.849 120.300 -0.171 0.000 2.476 967 Y HA 0.074 4.623 4.550 -0.001 0.000 0.283 967 Y C 1.600 177.411 175.900 -0.149 0.000 1.109 967 Y CA 0.595 58.576 58.100 -0.198 0.000 1.246 967 Y CB 0.088 38.499 38.460 -0.081 0.000 1.068 967 Y HN 0.304 nan 8.280 nan 0.000 0.552 968 D N -0.875 119.602 120.400 0.129 0.000 2.970 968 D HA 0.031 4.670 4.640 -0.002 0.000 0.236 968 D C 2.030 178.332 176.300 0.004 0.000 1.415 968 D CA -0.040 54.037 54.000 0.129 0.000 1.279 968 D CB -0.787 40.216 40.800 0.339 0.000 0.932 968 D HN 0.054 nan 8.370 nan 0.000 0.216 969 I N 0.966 121.486 120.570 -0.083 0.000 2.208 969 I HA -0.144 4.025 4.170 -0.002 0.000 0.245 969 I C 1.613 177.568 176.117 -0.271 0.000 1.097 969 I CA 1.785 62.933 61.300 -0.254 0.000 1.363 969 I CB 0.013 37.731 38.000 -0.469 0.000 1.051 969 I HN 0.147 nan 8.210 nan 0.000 0.413 970 G N -1.531 107.038 108.800 -0.385 0.000 3.088 970 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.217 970 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.217 970 G C 1.133 175.772 174.900 -0.436 0.000 1.159 970 G CA -0.158 44.700 45.100 -0.404 0.000 0.760 970 G HN 0.417 nan 8.290 nan 0.000 0.550 971 Y N 2.152 122.185 120.300 -0.446 0.000 2.128 971 Y HA -0.120 4.429 4.550 -0.002 0.000 0.284 971 Y C 2.517 178.282 175.900 -0.226 0.000 1.154 971 Y CA 1.605 59.491 58.100 -0.355 0.000 1.149 971 Y CB -0.564 37.751 38.460 -0.242 0.000 0.976 971 Y HN 0.117 nan 8.280 nan 0.000 0.505 972 G N -0.684 107.913 108.800 -0.339 0.000 2.440 972 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.218 972 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.218 972 G C 1.922 176.660 174.900 -0.269 0.000 1.154 972 G CA 0.905 45.795 45.100 -0.349 0.000 0.767 972 G HN 0.630 nan 8.290 nan 0.000 0.552 973 G N 0.536 109.224 108.800 -0.186 0.000 2.394 973 G HA2 -0.054 3.905 3.960 -0.002 0.000 0.215 973 G HA3 -0.054 3.905 3.960 -0.002 0.000 0.215 973 G C 1.728 176.575 174.900 -0.087 0.000 1.165 973 G CA 0.954 45.995 45.100 -0.099 0.000 0.784 973 G HN 0.402 nan 8.290 nan 0.000 0.535 974 L N 1.283 122.417 121.223 -0.148 0.000 2.017 974 L HA -0.042 4.297 4.340 -0.002 0.000 0.208 974 L C 2.235 179.004 176.870 -0.168 0.000 1.073 974 L CA 2.721 57.487 54.840 -0.124 0.000 0.745 974 L CB -0.807 41.080 42.059 -0.286 0.000 0.894 974 L HN 0.289 nan 8.230 nan 0.000 0.432 975 D N -1.709 118.505 120.400 -0.311 0.000 2.104 975 D HA -0.298 4.341 4.640 -0.002 0.000 0.194 975 D C 2.261 178.442 176.300 -0.199 0.000 0.994 975 D CA 1.675 55.505 54.000 -0.283 0.000 0.830 975 D CB -0.252 40.235 40.800 -0.521 0.000 0.959 975 D HN 0.573 nan 8.370 nan 0.000 0.452 976 H N -0.386 118.524 119.070 -0.267 0.000 2.357 976 H HA -0.059 4.496 4.556 -0.002 0.000 0.301 976 H C 2.115 177.245 175.328 -0.330 0.000 1.082 976 H CA 1.438 57.329 56.048 -0.262 0.000 1.342 976 H CB 0.010 29.624 29.762 -0.248 0.000 1.389 976 H HN 0.100 nan 8.280 nan 0.000 0.511 977 V N 1.339 121.115 119.914 -0.230 0.000 2.343 977 V HA -0.251 3.868 4.120 -0.002 0.000 0.247 977 V C 2.906 178.861 176.094 -0.233 0.000 1.051 977 V CA 1.370 63.474 62.300 -0.327 0.000 1.036 977 V CB -0.531 31.208 31.823 -0.140 0.000 0.654 977 V HN 0.321 nan 8.190 nan 0.000 0.451 978 L N 0.192 121.295 121.223 -0.200 0.000 2.093 978 L HA -0.097 4.242 4.340 -0.002 0.000 0.208 978 L C 2.626 179.286 176.870 -0.350 0.000 1.085 978 L CA 1.410 56.132 54.840 -0.196 0.000 0.755 978 L CB -0.758 41.191 42.059 -0.183 0.000 0.904 978 L HN 0.351 nan 8.230 nan 0.000 0.435 979 A N 0.024 122.504 122.820 -0.566 0.000 2.121 979 A HA -0.157 4.162 4.320 -0.002 0.000 0.218 979 A C 2.488 179.939 177.584 -0.221 0.000 1.154 979 A CA 1.466 53.128 52.037 -0.625 0.000 0.679 979 A CB -0.500 18.125 19.000 -0.624 0.000 0.795 979 A HN 0.523 nan 8.150 nan 0.000 0.458 980 S N -1.335 114.206 115.700 -0.266 0.000 2.423 980 S HA 0.224 4.693 4.470 -0.002 0.000 0.231 980 S C 1.683 176.253 174.600 -0.050 0.000 1.014 980 S CA 1.396 59.487 58.200 -0.181 0.000 0.965 980 S CB -0.665 62.423 63.200 -0.186 0.000 0.785 980 S HN 1.917 nan 8.310 nan 0.000 0.495 981 G N 0.852 109.684 108.800 0.054 0.000 2.159 981 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.256 981 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.256 981 G C -0.153 174.771 174.900 0.040 0.000 0.977 981 G CA 0.353 45.493 45.100 0.067 0.000 0.652 981 G HN 0.645 nan 8.290 nan 0.000 0.531 982 E N 0.223 120.464 120.200 0.067 0.000 2.314 982 E HA 0.337 4.686 4.350 -0.002 0.000 0.262 982 E C -0.639 175.975 176.600 0.024 0.000 1.093 982 E CA -0.674 55.746 56.400 0.033 0.000 0.908 982 E CB 0.745 30.498 29.700 0.088 0.000 1.091 982 E HN 0.098 nan 8.360 nan 0.000 0.425 983 D N 1.842 122.221 120.400 -0.034 0.000 2.470 983 D HA 0.153 4.792 4.640 -0.002 0.000 0.226 983 D C -1.045 175.208 176.300 -0.078 0.000 1.196 983 D CA -0.211 53.752 54.000 -0.061 0.000 0.979 983 D CB -0.286 40.464 40.800 -0.083 0.000 1.059 983 D HN 0.261 nan 8.370 nan 0.000 0.515 984 V N 0.711 120.589 119.914 -0.060 0.000 3.007 984 V HA 0.664 4.784 4.120 -0.002 0.000 0.311 984 V C -0.775 175.210 176.094 -0.182 0.000 1.120 984 V CA -1.087 61.147 62.300 -0.111 0.000 0.980 984 V CB 2.368 34.193 31.823 0.003 0.000 1.033 984 V HN 0.261 nan 8.190 nan 0.000 0.429 985 N N 1.557 120.026 118.700 -0.385 0.000 2.399 985 N HA 0.607 5.346 4.740 -0.002 0.000 0.280 985 N C -1.202 174.220 175.510 -0.146 0.000 1.008 985 N CA -0.310 52.406 53.050 -0.556 0.000 0.894 985 N CB 2.344 39.792 38.487 -1.731 0.000 1.273 985 N HN 0.638 nan 8.380 nan 0.000 0.486 986 V N 2.852 122.845 119.914 0.132 0.000 2.370 986 V HA 0.383 4.502 4.120 -0.002 0.000 0.283 986 V C -0.658 175.793 176.094 0.596 0.000 1.023 986 V CA -0.687 61.855 62.300 0.404 0.000 0.857 986 V CB 0.809 32.857 31.823 0.375 0.000 0.985 986 V HN 0.501 nan 8.190 nan 0.000 0.443 987 F N 5.848 126.155 119.950 0.594 0.000 2.403 987 F HA 0.651 5.177 4.527 -0.002 0.000 0.355 987 F C -0.316 175.703 175.800 0.365 0.000 1.119 987 F CA -0.740 57.557 58.000 0.496 0.000 1.007 987 F CB 1.483 40.767 39.000 0.473 0.000 1.194 987 F HN 0.254 nan 8.300 nan 0.000 0.443 988 V N 7.746 127.559 119.914 -0.168 0.000 2.370 988 V HA 0.290 4.409 4.120 -0.002 0.000 0.279 988 V C 0.102 175.956 176.094 -0.400 0.000 1.029 988 V CA -0.516 61.754 62.300 -0.051 0.000 0.870 988 V CB 1.377 33.310 31.823 0.185 0.000 0.984 988 V HN 0.702 nan 8.190 nan 0.000 0.451 989 M N 4.383 123.841 119.600 -0.236 0.000 2.206 989 M HA 0.292 4.771 4.480 -0.002 0.000 0.353 989 M C -0.276 175.990 176.300 -0.056 0.000 1.242 989 M CA -0.206 54.948 55.300 -0.244 0.000 1.179 989 M CB 0.399 32.967 32.600 -0.054 0.000 1.374 989 M HN 0.487 nan 8.290 nan 0.000 0.427 990 D N 2.360 122.714 120.400 -0.076 0.000 2.365 990 D HA 0.095 4.734 4.640 -0.002 0.000 0.237 990 D C 0.868 177.080 176.300 -0.147 0.000 1.190 990 D CA 0.074 54.080 54.000 0.009 0.000 0.867 990 D CB 0.998 41.927 40.800 0.215 0.000 1.050 990 D HN 0.637 nan 8.370 nan 0.000 0.491 991 T N 0.007 114.517 114.554 -0.072 0.000 3.122 991 T HA 0.082 4.431 4.350 -0.002 0.000 0.250 991 T C 0.555 175.222 174.700 -0.055 0.000 1.067 991 T CA -0.321 61.711 62.100 -0.113 0.000 0.966 991 T CB -0.233 68.618 68.868 -0.028 0.000 1.002 991 T HN 0.563 nan 8.240 nan 0.000 0.542 992 E N -0.550 119.640 120.200 -0.016 0.000 2.722 992 E HA -0.153 4.196 4.350 -0.002 0.000 0.265 992 E C -0.369 176.236 176.600 0.008 0.000 1.081 992 E CA 0.418 56.827 56.400 0.015 0.000 0.781 992 E CB -2.010 27.766 29.700 0.127 0.000 1.372 992 E HN 0.525 nan 8.360 nan 0.000 0.423 993 V N -0.343 119.598 119.914 0.045 0.000 3.234 993 V HA 0.198 4.317 4.120 -0.002 0.000 0.280 993 V C -1.692 174.543 176.094 0.236 0.000 1.580 993 V CA -0.956 61.386 62.300 0.071 0.000 1.032 993 V CB 1.489 33.318 31.823 0.011 0.000 1.203 993 V HN 0.112 nan 8.190 nan 0.000 0.459 994 Y N 3.329 123.642 120.300 0.021 0.000 2.640 994 Y HA 0.335 4.884 4.550 -0.002 0.000 0.355 994 Y C 1.528 177.427 175.900 -0.002 0.000 1.088 994 Y CA 0.268 58.386 58.100 0.030 0.000 1.443 994 Y CB 0.673 39.137 38.460 0.006 0.000 1.224 994 Y HN 0.681 nan 8.280 nan 0.000 0.516 995 S N 2.265 118.051 115.700 0.144 0.000 2.335 995 S HA -0.197 4.272 4.470 -0.002 0.000 0.217 995 S C 1.993 176.620 174.600 0.046 0.000 1.032 995 S CA 1.282 59.529 58.200 0.078 0.000 0.985 995 S CB -0.157 63.089 63.200 0.076 0.000 0.896 995 S HN 0.778 nan 8.310 nan 0.000 0.445 996 N N 1.391 120.105 118.700 0.024 0.000 2.060 996 N HA -0.165 4.574 4.740 -0.002 0.000 0.195 996 N C 1.527 177.020 175.510 -0.028 0.000 1.028 996 N CA 2.382 55.425 53.050 -0.011 0.000 0.861 996 N CB -0.488 37.962 38.487 -0.061 0.000 1.029 996 N HN 0.526 nan 8.380 nan 0.000 0.428 997 T N -4.292 110.241 114.554 -0.035 0.000 3.160 997 T HA 0.291 4.640 4.350 -0.002 0.000 0.257 997 T C 1.197 175.891 174.700 -0.010 0.000 1.147 997 T CA 0.485 62.566 62.100 -0.030 0.000 1.064 997 T CB -0.031 68.817 68.868 -0.033 0.000 0.949 997 T HN 0.399 nan 8.240 nan 0.000 0.526 998 G N 0.215 109.013 108.800 -0.004 0.000 2.147 998 G HA2 0.309 4.268 3.960 -0.002 0.000 0.128 998 G HA3 0.309 4.268 3.960 -0.002 0.000 0.128 998 G C 0.685 175.567 174.900 -0.030 0.000 1.026 998 G CA -0.133 44.952 45.100 -0.027 0.000 0.693 998 G HN 1.496 nan 8.290 nan 0.000 0.499 999 G N -1.015 107.787 108.800 0.003 0.000 2.256 999 G HA2 -0.056 3.903 3.960 -0.002 0.000 0.272 999 G HA3 -0.056 3.903 3.960 -0.002 0.000 0.272 999 G C 0.168 175.042 174.900 -0.043 0.000 1.076 999 G CA 0.903 45.993 45.100 -0.016 0.000 0.882 999 G HN 1.074 nan 8.290 nan 0.000 0.497 1000 Q N 0.153 119.945 119.800 -0.012 0.000 2.306 1000 Q HA 0.622 4.961 4.340 -0.002 0.000 0.241 1000 Q C 0.867 176.720 176.000 -0.245 0.000 0.948 1000 Q CA 0.245 56.001 55.803 -0.078 0.000 0.886 1000 Q CB 1.231 29.956 28.738 -0.022 0.000 1.227 1000 Q HN 0.415 nan 8.270 nan 0.000 0.457 1001 S N 0.831 116.415 115.700 -0.193 0.000 2.568 1001 S HA 0.386 4.855 4.470 -0.002 0.000 0.282 1001 S C -0.283 174.037 174.600 -0.465 0.000 1.338 1001 S CA -0.037 58.030 58.200 -0.222 0.000 1.045 1001 S CB 0.124 63.272 63.200 -0.086 0.000 0.873 1001 S HN 0.633 nan 8.310 nan 0.000 0.516 1002 S N 3.237 118.765 115.700 -0.288 0.000 2.667 1002 S HA 0.506 4.975 4.470 -0.002 0.000 0.292 1002 S C 0.235 174.795 174.600 -0.068 0.000 1.126 1002 S CA -0.965 57.127 58.200 -0.181 0.000 0.881 1002 S CB 1.247 64.512 63.200 0.108 0.000 1.132 1002 S HN 0.730 nan 8.310 nan 0.000 0.492 1003 K N 0.192 120.596 120.400 0.007 0.000 2.515 1003 K HA 0.085 4.404 4.320 -0.002 0.000 0.196 1003 K C 1.569 178.118 176.600 -0.085 0.000 1.038 1003 K CA 0.835 57.124 56.287 0.004 0.000 0.967 1003 K CB -0.348 32.191 32.500 0.065 0.000 0.780 1003 K HN 0.668 nan 8.250 nan 0.000 0.483 1004 A N 0.875 123.505 122.820 -0.316 0.000 2.178 1004 A HA 0.031 4.350 4.320 -0.002 0.000 0.211 1004 A C 0.770 178.246 177.584 -0.181 0.000 1.157 1004 A CA 0.226 51.897 52.037 -0.611 0.000 0.780 1004 A CB 0.071 18.345 19.000 -1.211 0.000 0.828 1004 A HN 0.067 nan 8.150 nan 0.000 0.476 1005 T N 3.776 118.278 114.554 -0.088 0.000 2.888 1005 T HA 0.321 4.670 4.350 -0.002 0.000 0.301 1005 T C -2.323 172.416 174.700 0.065 0.000 1.001 1005 T CA -0.600 61.500 62.100 0.001 0.000 1.147 1005 T CB 0.935 69.783 68.868 -0.033 0.000 0.931 1005 T HN 0.291 nan 8.240 nan 0.000 0.541 1006 P HA 0.144 nan 4.420 nan 0.000 0.276 1006 P C -0.281 177.155 177.300 0.228 0.000 1.252 1006 P CA -0.518 62.728 63.100 0.244 0.000 0.802 1006 P CB 0.380 32.368 31.700 0.481 0.000 1.035 1007 T N 0.889 115.576 114.554 0.221 0.000 2.908 1007 T HA 0.288 4.637 4.350 -0.002 0.000 0.301 1007 T C 1.453 176.315 174.700 0.270 0.000 1.019 1007 T CA 1.755 63.968 62.100 0.189 0.000 1.152 1007 T CB -0.621 68.342 68.868 0.158 0.000 0.966 1007 T HN 0.817 nan 8.240 nan 0.000 0.540 1008 G N 2.172 111.087 108.800 0.192 0.000 2.234 1008 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.260 1008 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.260 1008 G C 0.343 175.345 174.900 0.170 0.000 0.987 1008 G CA 0.031 45.262 45.100 0.218 0.000 0.625 1008 G HN 1.208 nan 8.290 nan 0.000 0.532 1009 A N 0.128 122.982 122.820 0.057 0.000 2.440 1009 A HA 0.632 4.951 4.320 -0.002 0.000 0.251 1009 A C 0.588 178.035 177.584 -0.227 0.000 1.089 1009 A CA 0.401 52.208 52.037 -0.383 0.000 0.779 1009 A CB 0.878 19.650 19.000 -0.380 0.000 1.022 1009 A HN 1.134 nan 8.150 nan 0.000 0.492 1010 V N 1.801 121.551 119.914 -0.275 0.000 2.465 1010 V HA 0.636 4.755 4.120 -0.002 0.000 0.279 1010 V C 0.624 176.620 176.094 -0.163 0.000 1.045 1010 V CA 0.765 62.970 62.300 -0.158 0.000 0.938 1010 V CB 0.558 32.314 31.823 -0.112 0.000 0.986 1010 V HN 1.374 nan 8.190 nan 0.000 0.467 1011 A N 5.042 127.783 122.820 -0.130 0.000 2.586 1011 A HA 0.720 5.039 4.320 -0.002 0.000 0.290 1011 A C -1.090 176.401 177.584 -0.154 0.000 1.086 1011 A CA -1.011 50.946 52.037 -0.132 0.000 0.665 1011 A CB 1.277 20.206 19.000 -0.117 0.000 1.279 1011 A HN 0.518 nan 8.150 nan 0.000 0.423 1012 K N 0.384 120.664 120.400 -0.201 0.000 2.451 1012 K HA 0.374 4.693 4.320 -0.002 0.000 0.280 1012 K C -0.461 175.959 176.600 -0.301 0.000 1.020 1012 K CA 0.486 56.536 56.287 -0.396 0.000 1.008 1012 K CB -0.761 31.448 32.500 -0.485 0.000 0.917 1012 K HN 0.929 nan 8.250 nan 0.000 0.478 1013 F N -0.850 119.042 119.950 -0.096 0.000 2.746 1013 F HA -0.309 4.218 4.527 -0.002 0.000 0.315 1013 F C 0.557 176.312 175.800 -0.074 0.000 0.666 1013 F CA 0.803 58.756 58.000 -0.079 0.000 1.381 1013 F CB -1.577 37.368 39.000 -0.092 0.000 1.739 1013 F HN 0.622 nan 8.300 nan 0.000 0.322 1014 A N -0.484 122.335 122.820 -0.002 0.000 2.758 1014 A HA 0.770 5.089 4.320 -0.002 0.000 0.223 1014 A C 0.892 178.438 177.584 -0.062 0.000 0.877 1014 A CA 0.310 52.334 52.037 -0.021 0.000 1.152 1014 A CB -0.314 18.670 19.000 -0.026 0.000 1.239 1014 A HN 0.697 nan 8.150 nan 0.000 0.470 1015 A N -0.501 122.271 122.820 -0.079 0.000 2.248 1015 A HA 0.423 4.742 4.320 -0.002 0.000 0.210 1015 A C 1.444 178.990 177.584 -0.063 0.000 1.174 1015 A CA 1.445 53.434 52.037 -0.080 0.000 0.750 1015 A CB -0.184 18.760 19.000 -0.094 0.000 0.780 1015 A HN 1.525 nan 8.150 nan 0.000 0.478 1016 A N -1.044 121.717 122.820 -0.098 0.000 2.610 1016 A HA 0.539 4.858 4.320 -0.002 0.000 0.291 1016 A C 0.881 178.396 177.584 -0.116 0.000 1.116 1016 A CA 0.472 52.395 52.037 -0.189 0.000 0.963 1016 A CB -0.700 18.122 19.000 -0.297 0.000 1.220 1016 A HN 1.952 nan 8.150 nan 0.000 0.530 1017 G N 0.386 109.153 108.800 -0.055 0.000 3.172 1017 G HA2 -0.123 3.836 3.960 -0.002 0.000 0.686 1017 G HA3 -0.123 3.836 3.960 -0.002 0.000 0.686 1017 G C -0.353 174.541 174.900 -0.009 0.000 1.009 1017 G CA -0.164 44.926 45.100 -0.017 0.000 0.787 1017 G HN 0.716 nan 8.290 nan 0.000 0.559 1018 K N 1.267 121.669 120.400 0.005 0.000 2.489 1018 K HA 0.229 4.548 4.320 -0.002 0.000 0.278 1018 K C 1.050 177.669 176.600 0.032 0.000 1.000 1018 K CA -0.158 56.138 56.287 0.015 0.000 1.012 1018 K CB 0.256 32.769 32.500 0.022 0.000 0.903 1018 K HN 0.376 nan 8.250 nan 0.000 0.485 1019 R N 2.113 122.626 120.500 0.021 0.000 2.466 1019 R HA 0.079 4.418 4.340 -0.002 0.000 0.279 1019 R C -0.288 176.029 176.300 0.029 0.000 0.976 1019 R CA 0.069 56.184 56.100 0.024 0.000 1.081 1019 R CB -0.058 30.248 30.300 0.010 0.000 1.215 1019 R HN 0.768 nan 8.270 nan 0.000 0.546 1020 T N -3.335 111.239 114.554 0.033 0.000 2.893 1020 T HA 0.664 5.013 4.350 -0.002 0.000 0.293 1020 T C 0.484 175.209 174.700 0.042 0.000 1.027 1020 T CA -0.777 61.341 62.100 0.030 0.000 0.988 1020 T CB 2.736 71.615 68.868 0.019 0.000 1.043 1020 T HN 0.084 nan 8.240 nan 0.000 0.461 1021 G N 1.039 109.864 108.800 0.042 0.000 2.667 1021 G HA2 0.369 4.328 3.960 -0.002 0.000 0.250 1021 G HA3 0.369 4.328 3.960 -0.002 0.000 0.250 1021 G C -0.242 174.684 174.900 0.043 0.000 1.212 1021 G CA -0.869 44.262 45.100 0.051 0.000 0.874 1021 G HN 1.001 nan 8.290 nan 0.000 0.561 1022 K N 0.294 120.725 120.400 0.051 0.000 2.451 1022 K HA 0.043 4.362 4.320 -0.002 0.000 0.280 1022 K C 0.646 177.277 176.600 0.052 0.000 1.020 1022 K CA -0.207 56.108 56.287 0.047 0.000 1.008 1022 K CB 0.349 32.880 32.500 0.052 0.000 0.917 1022 K HN 0.470 nan 8.250 nan 0.000 0.478 1023 K N 3.726 124.177 120.400 0.085 0.000 2.451 1023 K HA -0.085 4.234 4.320 -0.002 0.000 0.280 1023 K C -0.388 176.280 176.600 0.113 0.000 1.020 1023 K CA -0.020 56.320 56.287 0.088 0.000 1.008 1023 K CB 0.544 33.119 32.500 0.126 0.000 0.917 1023 K HN 0.516 nan 8.250 nan 0.000 0.478 1024 D N 5.608 126.005 120.400 -0.006 0.000 2.619 1024 D HA 0.003 4.642 4.640 -0.002 0.000 0.224 1024 D C 1.022 177.253 176.300 -0.115 0.000 1.133 1024 D CA -0.183 53.791 54.000 -0.044 0.000 1.017 1024 D CB 0.211 40.960 40.800 -0.085 0.000 1.077 1024 D HN 0.561 nan 8.370 nan 0.000 0.503 1025 L N 3.126 124.243 121.223 -0.176 0.000 2.012 1025 L HA -0.159 4.180 4.340 -0.002 0.000 0.210 1025 L C 2.092 178.853 176.870 -0.181 0.000 1.073 1025 L CA 2.274 56.914 54.840 -0.334 0.000 0.748 1025 L CB -0.612 41.004 42.059 -0.738 0.000 0.891 1025 L HN 0.271 nan 8.230 nan 0.000 0.431 1026 A N -0.307 122.452 122.820 -0.102 0.000 1.873 1026 A HA -0.257 4.062 4.320 -0.002 0.000 0.218 1026 A C 2.435 179.959 177.584 -0.100 0.000 1.193 1026 A CA 2.107 54.134 52.037 -0.017 0.000 0.629 1026 A CB -0.644 18.465 19.000 0.182 0.000 0.826 1026 A HN 0.533 nan 8.150 nan 0.000 0.447 1027 R N -1.314 119.093 120.500 -0.155 0.000 2.115 1027 R HA -0.008 4.331 4.340 -0.002 0.000 0.230 1027 R C 2.238 178.398 176.300 -0.234 0.000 1.111 1027 R CA 1.396 57.350 56.100 -0.243 0.000 0.976 1027 R CB -0.361 29.785 30.300 -0.256 0.000 0.870 1027 R HN 0.586 nan 8.270 nan 0.000 0.445 1028 M N -0.035 119.454 119.600 -0.184 0.000 2.132 1028 M HA -0.138 4.341 4.480 -0.002 0.000 0.263 1028 M C 2.223 178.405 176.300 -0.198 0.000 1.065 1028 M CA 1.406 56.601 55.300 -0.175 0.000 1.122 1028 M CB -0.060 32.477 32.600 -0.105 0.000 1.365 1028 M HN -0.051 nan 8.290 nan 0.000 0.411 1029 V N 0.231 120.068 119.914 -0.128 0.000 2.515 1029 V HA -0.223 3.896 4.120 -0.002 0.000 0.250 1029 V C 2.209 178.197 176.094 -0.177 0.000 1.058 1029 V CA 1.399 63.666 62.300 -0.054 0.000 1.064 1029 V CB -0.576 31.241 31.823 -0.010 0.000 0.675 1029 V HN 0.523 nan 8.190 nan 0.000 0.461 1030 M N 0.659 120.063 119.600 -0.327 0.000 2.460 1030 M HA -0.119 4.360 4.480 -0.002 0.000 0.263 1030 M C 2.232 178.201 176.300 -0.551 0.000 1.071 1030 M CA 1.793 56.728 55.300 -0.609 0.000 1.096 1030 M CB -0.708 31.478 32.600 -0.689 0.000 1.408 1030 M HN 0.649 nan 8.290 nan 0.000 0.463 1031 T N -2.478 111.826 114.554 -0.418 0.000 3.007 1031 T HA -0.148 4.201 4.350 -0.002 0.000 0.270 1031 T C 1.402 175.880 174.700 -0.370 0.000 1.107 1031 T CA 0.916 62.788 62.100 -0.379 0.000 1.118 1031 T CB -0.512 68.121 68.868 -0.392 0.000 0.889 1031 T HN 0.315 nan 8.240 nan 0.000 0.506 1032 Y N 2.130 122.227 120.300 -0.339 0.000 2.293 1032 Y HA 0.221 4.770 4.550 -0.002 0.000 0.291 1032 Y C 2.573 178.272 175.900 -0.335 0.000 1.137 1032 Y CA 0.576 58.410 58.100 -0.443 0.000 1.202 1032 Y CB -0.807 37.192 38.460 -0.769 0.000 0.990 1032 Y HN 0.451 nan 8.280 nan 0.000 0.537 1033 G N -0.708 108.030 108.800 -0.104 0.000 2.347 1033 G HA2 -0.409 3.550 3.960 -0.002 0.000 0.247 1033 G HA3 -0.409 3.550 3.960 -0.002 0.000 0.247 1033 G C 0.775 175.866 174.900 0.319 0.000 1.037 1033 G CA 0.750 45.948 45.100 0.163 0.000 0.622 1033 G HN 0.591 nan 8.290 nan 0.000 0.521 1034 Y N -0.123 120.345 120.300 0.281 0.000 2.555 1034 Y HA 0.755 5.304 4.550 -0.002 0.000 0.259 1034 Y C 0.323 176.370 175.900 0.245 0.000 1.179 1034 Y CA -0.802 57.482 58.100 0.307 0.000 1.230 1034 Y CB -0.053 38.694 38.460 0.479 0.000 1.146 1034 Y HN 0.225 nan 8.280 nan 0.000 0.526 1035 V N 1.577 121.515 119.914 0.041 0.000 2.459 1035 V HA 0.182 4.302 4.120 -0.002 0.000 0.295 1035 V C -0.902 175.131 176.094 -0.102 0.000 1.029 1035 V CA -1.242 61.079 62.300 0.035 0.000 0.874 1035 V CB 1.309 33.082 31.823 -0.084 0.000 0.985 1035 V HN 0.287 nan 8.190 nan 0.000 0.438 1036 Y N 4.797 124.859 120.300 -0.397 0.000 2.436 1036 Y HA 0.524 5.073 4.550 -0.002 0.000 0.336 1036 Y C -0.282 175.563 175.900 -0.092 0.000 1.049 1036 Y CA 0.134 57.972 58.100 -0.437 0.000 1.294 1036 Y CB 0.989 39.040 38.460 -0.681 0.000 1.179 1036 Y HN 0.408 nan 8.280 nan 0.000 0.520 1037 V N 5.750 125.430 119.914 -0.390 0.000 2.588 1037 V HA 0.900 5.019 4.120 -0.002 0.000 0.304 1037 V C -0.651 175.336 176.094 -0.179 0.000 1.042 1037 V CA -0.469 61.750 62.300 -0.135 0.000 0.877 1037 V CB 1.277 33.081 31.823 -0.032 0.000 0.996 1037 V HN 0.942 nan 8.190 nan 0.000 0.425 1038 A N 2.800 125.621 122.820 0.001 0.000 2.594 1038 A HA 0.942 5.261 4.320 -0.002 0.000 0.295 1038 A C -0.436 177.120 177.584 -0.047 0.000 1.071 1038 A CA -0.350 51.680 52.037 -0.011 0.000 0.685 1038 A CB 2.216 21.288 19.000 0.120 0.000 1.285 1038 A HN 0.971 nan 8.150 nan 0.000 0.405 1039 T N -1.043 113.331 114.554 -0.300 0.000 2.863 1039 T HA 0.804 5.153 4.350 -0.002 0.000 0.285 1039 T C -0.122 174.624 174.700 0.077 0.000 1.009 1039 T CA -0.120 61.844 62.100 -0.228 0.000 0.989 1039 T CB 0.960 69.339 68.868 -0.815 0.000 1.004 1039 T HN 2.053 nan 8.240 nan 0.000 0.455 1040 V N -1.377 118.758 119.914 0.369 0.000 3.141 1040 V HA 0.987 5.107 4.120 -0.002 0.000 0.312 1040 V C -0.463 175.940 176.094 0.516 0.000 1.157 1040 V CA -0.915 61.664 62.300 0.465 0.000 1.041 1040 V CB 1.769 33.960 31.823 0.614 0.000 1.071 1040 V HN 1.168 nan 8.190 nan 0.000 0.441 1041 S N 1.773 117.744 115.700 0.451 0.000 2.382 1041 S HA 0.296 4.765 4.470 -0.002 0.000 0.228 1041 S C 0.327 175.113 174.600 0.310 0.000 0.996 1041 S CA -0.003 58.420 58.200 0.371 0.000 1.094 1041 S CB 1.061 64.429 63.200 0.280 0.000 1.209 1041 S HN 1.044 nan 8.310 nan 0.000 0.420 1042 M N 3.925 123.633 119.600 0.180 0.000 2.089 1042 M HA -0.081 4.398 4.480 -0.002 0.000 0.257 1042 M C 1.939 178.275 176.300 0.060 0.000 1.071 1042 M CA 2.700 57.989 55.300 -0.018 0.000 1.096 1042 M CB -0.719 31.634 32.600 -0.411 0.000 1.330 1042 M HN 0.812 nan 8.290 nan 0.000 0.403 1043 G N -1.452 107.398 108.800 0.084 0.000 2.462 1043 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.220 1043 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.220 1043 G C 1.184 176.155 174.900 0.118 0.000 1.121 1043 G CA 1.006 46.159 45.100 0.088 0.000 0.758 1043 G HN 0.619 nan 8.290 nan 0.000 0.559 1044 Y N 0.628 120.961 120.300 0.055 0.000 2.269 1044 Y HA 0.337 4.886 4.550 -0.002 0.000 0.294 1044 Y C 0.950 176.880 175.900 0.051 0.000 1.120 1044 Y CA 0.985 59.118 58.100 0.054 0.000 1.159 1044 Y CB 0.409 38.917 38.460 0.081 0.000 1.024 1044 Y HN 0.143 nan 8.280 nan 0.000 0.532 1045 S N -0.281 115.466 115.700 0.079 0.000 2.599 1045 S HA 0.273 4.742 4.470 -0.002 0.000 0.269 1045 S C -0.169 174.493 174.600 0.102 0.000 1.135 1045 S CA -0.790 57.404 58.200 -0.010 0.000 1.027 1045 S CB 0.814 64.023 63.200 0.014 0.000 1.129 1045 S HN 0.330 nan 8.310 nan 0.000 0.458 1046 K N 2.657 123.040 120.400 -0.027 0.000 2.217 1046 K HA -0.013 4.306 4.320 -0.002 0.000 0.202 1046 K C 1.833 178.467 176.600 0.058 0.000 1.051 1046 K CA 0.918 57.175 56.287 -0.050 0.000 0.952 1046 K CB 0.053 32.182 32.500 -0.619 0.000 0.736 1046 K HN 0.627 nan 8.250 nan 0.000 0.453 1047 Q N 0.659 120.458 119.800 -0.001 0.000 2.079 1047 Q HA -0.151 4.188 4.340 -0.002 0.000 0.200 1047 Q C 2.287 178.358 176.000 0.118 0.000 0.974 1047 Q CA 0.990 56.811 55.803 0.029 0.000 0.840 1047 Q CB -0.013 28.718 28.738 -0.011 0.000 0.898 1047 Q HN 0.260 nan 8.270 nan 0.000 0.430 1048 Q N 0.334 120.233 119.800 0.166 0.000 2.124 1048 Q HA -0.176 4.163 4.340 -0.002 0.000 0.202 1048 Q C 1.890 178.082 176.000 0.320 0.000 0.977 1048 Q CA 1.115 57.051 55.803 0.223 0.000 0.850 1048 Q CB -0.114 28.777 28.738 0.256 0.000 0.901 1048 Q HN 0.332 nan 8.270 nan 0.000 0.429 1049 F N 0.992 121.079 119.950 0.228 0.000 2.134 1049 F HA -0.149 4.377 4.527 -0.002 0.000 0.299 1049 F C 1.903 177.869 175.800 0.277 0.000 1.097 1049 F CA 1.149 59.332 58.000 0.305 0.000 1.264 1049 F CB -0.496 38.724 39.000 0.366 0.000 1.001 1049 F HN 0.029 nan 8.300 nan 0.000 0.479 1050 L N 0.200 121.443 121.223 0.034 0.000 2.093 1050 L HA -0.201 4.138 4.340 -0.002 0.000 0.208 1050 L C 2.617 179.483 176.870 -0.007 0.000 1.085 1050 L CA 1.677 56.457 54.840 -0.099 0.000 0.755 1050 L CB -0.769 41.303 42.059 0.021 0.000 0.904 1050 L HN 0.116 nan 8.230 nan 0.000 0.435 1051 K N 0.209 120.654 120.400 0.076 0.000 2.057 1051 K HA -0.155 4.164 4.320 -0.002 0.000 0.207 1051 K C 2.026 178.710 176.600 0.140 0.000 1.049 1051 K CA 1.345 57.692 56.287 0.101 0.000 0.931 1051 K CB 0.028 32.596 32.500 0.113 0.000 0.714 1051 K HN 0.060 nan 8.250 nan 0.000 0.440 1052 V N 1.862 121.892 119.914 0.192 0.000 2.343 1052 V HA -0.255 3.864 4.120 -0.002 0.000 0.247 1052 V C 2.345 178.582 176.094 0.239 0.000 1.051 1052 V CA 1.560 64.029 62.300 0.282 0.000 1.036 1052 V CB -0.340 31.711 31.823 0.381 0.000 0.654 1052 V HN 0.345 nan 8.190 nan 0.000 0.451 1053 L N -0.521 120.798 121.223 0.160 0.000 2.042 1053 L HA -0.185 4.154 4.340 -0.002 0.000 0.210 1053 L C 2.753 179.843 176.870 0.368 0.000 1.076 1053 L CA 1.478 56.477 54.840 0.266 0.000 0.749 1053 L CB -0.635 41.451 42.059 0.045 0.000 0.893 1053 L HN 0.276 nan 8.230 nan 0.000 0.432 1054 K N 0.222 120.769 120.400 0.245 0.000 2.057 1054 K HA -0.130 4.189 4.320 -0.002 0.000 0.206 1054 K C 1.924 178.588 176.600 0.106 0.000 1.050 1054 K CA 1.240 57.674 56.287 0.244 0.000 0.935 1054 K CB -0.281 32.308 32.500 0.149 0.000 0.715 1054 K HN 0.426 nan 8.250 nan 0.000 0.439 1055 E N 0.569 120.779 120.200 0.017 0.000 2.047 1055 E HA -0.121 4.228 4.350 -0.002 0.000 0.191 1055 E C 2.050 178.328 176.600 -0.537 0.000 0.987 1055 E CA 1.045 57.343 56.400 -0.170 0.000 0.799 1055 E CB -0.095 29.555 29.700 -0.084 0.000 0.752 1055 E HN 0.268 nan 8.360 nan 0.000 0.449 1056 A N 1.666 124.149 122.820 -0.561 0.000 1.877 1056 A HA -0.220 4.099 4.320 -0.002 0.000 0.216 1056 A C 2.160 179.591 177.584 -0.256 0.000 1.186 1056 A CA 1.338 53.026 52.037 -0.582 0.000 0.620 1056 A CB -0.375 18.598 19.000 -0.045 0.000 0.822 1056 A HN 0.106 nan 8.150 nan 0.000 0.443 1057 E N 0.655 120.772 120.200 -0.140 0.000 2.077 1057 E HA -0.148 4.201 4.350 -0.002 0.000 0.193 1057 E C 2.291 178.806 176.600 -0.142 0.000 0.989 1057 E CA 1.652 57.913 56.400 -0.233 0.000 0.800 1057 E CB -0.233 29.231 29.700 -0.393 0.000 0.746 1057 E HN 0.672 nan 8.360 nan 0.000 0.452 1058 S N -0.236 115.434 115.700 -0.050 0.000 2.489 1058 S HA -0.060 4.409 4.470 -0.002 0.000 0.228 1058 S C 0.858 175.471 174.600 0.021 0.000 0.995 1058 S CA -0.403 57.796 58.200 -0.001 0.000 0.934 1058 S CB -0.512 62.713 63.200 0.042 0.000 0.771 1058 S HN 0.178 nan 8.310 nan 0.000 0.522 1059 F N 5.766 125.618 119.950 -0.162 0.000 2.571 1059 F HA 0.306 4.832 4.527 -0.002 0.000 0.384 1059 F C -2.199 173.580 175.800 -0.035 0.000 1.058 1059 F CA -2.865 55.073 58.000 -0.104 0.000 1.200 1059 F CB 0.593 39.495 39.000 -0.163 0.000 1.077 1059 F HN 0.050 nan 8.300 nan 0.000 0.558 1060 P HA 0.278 nan 4.420 nan 0.000 0.226 1060 P C -0.129 176.810 177.300 -0.602 0.000 1.783 1060 P CA 0.362 63.210 63.100 -0.420 0.000 0.980 1060 P CB -0.083 31.473 31.700 -0.239 0.000 1.967 1061 G N 1.564 110.020 108.800 -0.574 0.000 2.348 1061 G HA2 0.336 4.295 3.960 -0.002 0.000 0.296 1061 G HA3 0.336 4.295 3.960 -0.002 0.000 0.296 1061 G C -3.590 171.394 174.900 0.141 0.000 1.258 1061 G CA -0.853 44.096 45.100 -0.252 0.000 0.868 1061 G HN -0.127 nan 8.290 nan 0.000 0.488 1062 P HA 0.482 nan 4.420 nan 0.000 0.280 1062 P C -0.753 176.754 177.300 0.344 0.000 1.244 1062 P CA -0.001 63.257 63.100 0.264 0.000 0.784 1062 P CB 1.516 33.323 31.700 0.179 0.000 0.913 1063 S N 2.372 118.197 115.700 0.208 0.000 2.521 1063 S HA 0.623 5.092 4.470 -0.002 0.000 0.295 1063 S C -1.076 173.637 174.600 0.188 0.000 1.098 1063 S CA -0.500 57.833 58.200 0.222 0.000 0.999 1063 S CB 0.936 64.218 63.200 0.137 0.000 1.034 1063 S HN 0.321 nan 8.310 nan 0.000 0.483 1064 L N 3.837 125.198 121.223 0.230 0.000 2.376 1064 L HA 0.746 5.085 4.340 -0.002 0.000 0.275 1064 L C -1.532 175.502 176.870 0.273 0.000 0.987 1064 L CA -0.416 54.555 54.840 0.218 0.000 0.828 1064 L CB 1.415 43.552 42.059 0.130 0.000 1.249 1064 L HN 0.462 nan 8.230 nan 0.000 0.409 1065 V N 6.749 126.876 119.914 0.354 0.000 2.409 1065 V HA 0.506 4.625 4.120 -0.002 0.000 0.291 1065 V C -0.066 176.178 176.094 0.251 0.000 1.020 1065 V CA -0.381 62.162 62.300 0.406 0.000 0.848 1065 V CB 1.616 33.859 31.823 0.699 0.000 0.990 1065 V HN 0.613 nan 8.190 nan 0.000 0.430 1066 I N 4.386 125.066 120.570 0.182 0.000 2.362 1066 I HA 0.734 4.904 4.170 -0.002 0.000 0.289 1066 I C 0.351 176.608 176.117 0.233 0.000 0.994 1066 I CA -0.430 60.958 61.300 0.146 0.000 1.158 1066 I CB 1.711 39.830 38.000 0.199 0.000 1.315 1066 I HN 0.653 nan 8.210 nan 0.000 0.451 1067 A N 5.714 128.504 122.820 -0.050 0.000 2.324 1067 A HA 0.495 4.814 4.320 -0.002 0.000 0.330 1067 A C -1.221 176.221 177.584 -0.237 0.000 1.165 1067 A CA -0.435 51.494 52.037 -0.180 0.000 0.813 1067 A CB 0.777 19.231 19.000 -0.909 0.000 1.197 1067 A HN 0.629 nan 8.150 nan 0.000 0.484 1068 Y N 2.223 122.221 120.300 -0.504 0.000 2.486 1068 Y HA 0.444 4.993 4.550 -0.002 0.000 0.348 1068 Y C 0.332 176.033 175.900 -0.331 0.000 1.000 1068 Y CA -0.267 57.289 58.100 -0.906 0.000 1.253 1068 Y CB 0.338 37.992 38.460 -1.344 0.000 1.140 1068 Y HN 0.767 nan 8.280 nan 0.000 0.526 1069 A N 5.337 127.736 122.820 -0.703 0.000 2.273 1069 A HA 0.496 4.815 4.320 -0.002 0.000 0.315 1069 A C 0.038 177.350 177.584 -0.454 0.000 1.256 1069 A CA -0.404 51.422 52.037 -0.352 0.000 0.851 1069 A CB -0.063 18.828 19.000 -0.181 0.000 1.172 1069 A HN 0.791 nan 8.150 nan 0.000 0.508 1070 T N -0.840 113.563 114.554 -0.251 0.000 2.898 1070 T HA 0.460 4.809 4.350 -0.002 0.000 0.301 1070 T C 0.041 174.690 174.700 -0.086 0.000 1.049 1070 T CA -0.459 61.545 62.100 -0.159 0.000 1.095 1070 T CB 0.930 69.793 68.868 -0.009 0.000 0.976 1070 T HN 1.220 nan 8.240 nan 0.000 0.539 1071 C N 3.597 122.861 119.300 -0.060 0.000 2.985 1071 C HA 0.523 4.982 4.460 -0.002 0.000 0.314 1071 C C 1.758 176.741 174.990 -0.012 0.000 1.215 1071 C CA -0.935 58.070 59.018 -0.022 0.000 1.414 1071 C CB 0.154 27.881 27.740 -0.022 0.000 1.842 1071 C HN 1.098 nan 8.230 nan 0.000 0.477 1072 I N 1.404 121.975 120.570 0.002 0.000 2.423 1072 I HA -0.125 4.044 4.170 -0.002 0.000 0.254 1072 I C 1.649 177.757 176.117 -0.016 0.000 1.151 1072 I CA 2.014 63.314 61.300 -0.001 0.000 1.421 1072 I CB -0.599 37.406 38.000 0.009 0.000 1.079 1072 I HN 0.769 nan 8.210 nan 0.000 0.431 1073 N N 1.049 119.738 118.700 -0.019 0.000 2.289 1073 N HA -0.183 4.556 4.740 -0.002 0.000 0.184 1073 N C 1.723 177.200 175.510 -0.056 0.000 1.016 1073 N CA 1.152 54.181 53.050 -0.035 0.000 0.872 1073 N CB -0.130 38.340 38.487 -0.029 0.000 0.973 1073 N HN 0.609 nan 8.380 nan 0.000 0.433 1074 Q N -0.049 119.720 119.800 -0.050 0.000 2.369 1074 Q HA 0.062 4.401 4.340 -0.002 0.000 0.206 1074 Q C 0.704 176.667 176.000 -0.061 0.000 0.963 1074 Q CA 0.400 56.164 55.803 -0.065 0.000 0.894 1074 Q CB 0.375 29.092 28.738 -0.035 0.000 0.965 1074 Q HN 0.360 nan 8.270 nan 0.000 0.475 1075 G N 1.725 110.499 108.800 -0.043 0.000 2.353 1075 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.294 1075 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.294 1075 G C -0.278 174.607 174.900 -0.026 0.000 1.077 1075 G CA -0.301 44.778 45.100 -0.035 0.000 1.098 1075 G HN 0.255 nan 8.290 nan 0.000 0.511 1076 L N 0.572 121.784 121.223 -0.017 0.000 2.562 1076 L HA 0.104 4.443 4.340 -0.002 0.000 0.271 1076 L C 2.263 179.127 176.870 -0.010 0.000 1.167 1076 L CA -0.741 54.092 54.840 -0.013 0.000 0.917 1076 L CB 0.316 42.377 42.059 0.004 0.000 1.187 1076 L HN 0.285 nan 8.230 nan 0.000 0.482 1077 R N 2.941 123.433 120.500 -0.014 0.000 2.119 1077 R HA -0.171 4.168 4.340 -0.002 0.000 0.246 1077 R C 1.231 177.529 176.300 -0.002 0.000 1.146 1077 R CA 1.667 57.761 56.100 -0.009 0.000 0.962 1077 R CB -0.194 30.099 30.300 -0.011 0.000 0.863 1077 R HN 0.550 nan 8.270 nan 0.000 0.442 1078 K N -0.409 119.992 120.400 0.002 0.000 2.372 1078 K HA 0.231 4.550 4.320 -0.002 0.000 0.200 1078 K C 0.190 176.796 176.600 0.010 0.000 1.022 1078 K CA 0.363 56.654 56.287 0.007 0.000 1.125 1078 K CB 0.985 33.491 32.500 0.010 0.000 0.855 1078 K HN 0.335 nan 8.250 nan 0.000 0.524 1079 G N 0.694 109.499 108.800 0.009 0.000 2.539 1079 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.686 1079 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.686 1079 G C 0.092 175.002 174.900 0.017 0.000 1.258 1079 G CA -0.918 44.189 45.100 0.012 0.000 0.846 1079 G HN -0.102 nan 8.290 nan 0.000 0.647 1080 M N 1.080 120.690 119.600 0.017 0.000 2.630 1080 M HA 0.056 4.535 4.480 -0.002 0.000 0.254 1080 M C 2.392 178.707 176.300 0.025 0.000 1.092 1080 M CA 1.624 56.937 55.300 0.021 0.000 1.087 1080 M CB -0.841 31.772 32.600 0.021 0.000 1.453 1080 M HN 0.974 nan 8.290 nan 0.000 0.509 1081 G N 0.067 108.881 108.800 0.023 0.000 2.848 1081 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.208 1081 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.208 1081 G C 1.490 176.407 174.900 0.029 0.000 1.152 1081 G CA 0.210 45.325 45.100 0.024 0.000 0.789 1081 G HN 0.347 nan 8.290 nan 0.000 0.531 1082 K N 0.590 121.010 120.400 0.033 0.000 2.373 1082 K HA 0.208 4.527 4.320 -0.002 0.000 0.202 1082 K C 1.964 178.599 176.600 0.059 0.000 1.025 1082 K CA -0.056 56.256 56.287 0.042 0.000 1.115 1082 K CB 0.575 33.098 32.500 0.040 0.000 0.858 1082 K HN 0.119 nan 8.250 nan 0.000 0.525 1083 S N 1.964 117.696 115.700 0.054 0.000 2.368 1083 S HA -0.201 4.269 4.470 -0.002 0.000 0.226 1083 S C 1.828 176.482 174.600 0.089 0.000 1.044 1083 S CA 1.441 59.683 58.200 0.070 0.000 1.062 1083 S CB -0.037 63.188 63.200 0.042 0.000 0.931 1083 S HN 0.336 nan 8.310 nan 0.000 0.440 1084 Q N 0.949 120.785 119.800 0.059 0.000 2.096 1084 Q HA -0.139 4.200 4.340 -0.002 0.000 0.204 1084 Q C 1.781 177.831 176.000 0.083 0.000 0.982 1084 Q CA 1.284 57.122 55.803 0.059 0.000 0.850 1084 Q CB -0.743 28.014 28.738 0.032 0.000 0.901 1084 Q HN 0.539 nan 8.270 nan 0.000 0.422 1085 D N 0.014 120.461 120.400 0.078 0.000 2.117 1085 D HA -0.103 4.536 4.640 -0.002 0.000 0.197 1085 D C 2.116 178.490 176.300 0.124 0.000 0.987 1085 D CA 0.803 54.854 54.000 0.085 0.000 0.829 1085 D CB -0.135 40.706 40.800 0.069 0.000 0.961 1085 D HN 0.048 nan 8.370 nan 0.000 0.460 1086 V N 1.026 121.033 119.914 0.154 0.000 2.343 1086 V HA -0.239 3.880 4.120 -0.002 0.000 0.247 1086 V C 2.526 178.777 176.094 0.260 0.000 1.051 1086 V CA 1.353 63.800 62.300 0.246 0.000 1.036 1086 V CB -0.409 31.558 31.823 0.240 0.000 0.654 1086 V HN 0.183 nan 8.190 nan 0.000 0.451 1087 M N 0.178 119.913 119.600 0.224 0.000 2.159 1087 M HA -0.175 4.304 4.480 -0.002 0.000 0.263 1087 M C 2.178 178.539 176.300 0.102 0.000 1.063 1087 M CA 2.079 57.492 55.300 0.188 0.000 1.110 1087 M CB -0.621 32.109 32.600 0.217 0.000 1.374 1087 M HN 0.430 nan 8.290 nan 0.000 0.411 1088 N N 0.053 118.835 118.700 0.137 0.000 2.084 1088 N HA -0.124 4.615 4.740 -0.002 0.000 0.190 1088 N C 1.422 176.999 175.510 0.111 0.000 1.030 1088 N CA 2.020 55.178 53.050 0.181 0.000 0.849 1088 N CB -0.276 38.293 38.487 0.136 0.000 1.012 1088 N HN 0.173 nan 8.380 nan 0.000 0.423 1089 T N -0.001 114.581 114.554 0.047 0.000 2.867 1089 T HA 0.023 4.372 4.350 -0.002 0.000 0.268 1089 T C 1.828 176.314 174.700 -0.358 0.000 1.057 1089 T CA 1.087 63.156 62.100 -0.052 0.000 1.136 1089 T CB -0.565 68.349 68.868 0.076 0.000 0.874 1089 T HN 0.421 nan 8.240 nan 0.000 0.466 1090 A N 1.039 123.575 122.820 -0.473 0.000 1.948 1090 A HA -0.091 4.228 4.320 -0.002 0.000 0.220 1090 A C 2.532 179.879 177.584 -0.395 0.000 1.177 1090 A CA 1.580 53.119 52.037 -0.831 0.000 0.636 1090 A CB -0.916 17.634 19.000 -0.751 0.000 0.815 1090 A HN 0.389 nan 8.150 nan 0.000 0.449 1091 V N -0.190 119.577 119.914 -0.245 0.000 2.302 1091 V HA -0.194 3.925 4.120 -0.002 0.000 0.243 1091 V C 2.357 178.275 176.094 -0.293 0.000 1.036 1091 V CA 2.054 64.190 62.300 -0.273 0.000 1.020 1091 V CB -0.700 30.764 31.823 -0.599 0.000 0.657 1091 V HN 0.511 nan 8.190 nan 0.000 0.453 1092 K N 1.317 121.599 120.400 -0.198 0.000 2.103 1092 K HA -0.179 4.140 4.320 -0.002 0.000 0.207 1092 K C 2.286 178.792 176.600 -0.157 0.000 1.048 1092 K CA 1.868 58.090 56.287 -0.108 0.000 0.930 1092 K CB -0.433 32.077 32.500 0.016 0.000 0.716 1092 K HN 0.625 nan 8.250 nan 0.000 0.444 1093 S N -0.466 115.113 115.700 -0.201 0.000 2.507 1093 S HA -0.011 4.458 4.470 -0.002 0.000 0.235 1093 S C 1.556 176.057 174.600 -0.165 0.000 0.988 1093 S CA 0.840 58.925 58.200 -0.190 0.000 0.944 1093 S CB -0.102 62.928 63.200 -0.283 0.000 0.762 1093 S HN 0.502 nan 8.310 nan 0.000 0.526 1094 G N 0.131 108.826 108.800 -0.175 0.000 2.176 1094 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.253 1094 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.253 1094 G C 0.348 175.241 174.900 -0.012 0.000 0.979 1094 G CA 0.403 45.423 45.100 -0.133 0.000 0.641 1094 G HN 0.602 nan 8.290 nan 0.000 0.530 1095 Y N -0.399 119.791 120.300 -0.183 0.000 2.181 1095 Y HA 0.180 4.729 4.550 -0.001 0.000 0.288 1095 Y C 1.332 177.257 175.900 0.043 0.000 1.146 1095 Y CA 1.945 59.982 58.100 -0.106 0.000 1.164 1095 Y CB 0.197 38.471 38.460 -0.310 0.000 0.982 1095 Y HN 0.367 nan 8.280 nan 0.000 0.515 1096 W N 4.716 125.925 121.300 -0.153 0.000 2.291 1096 W HA 0.313 4.972 4.660 -0.001 0.000 0.288 1096 W C -2.985 173.465 176.519 -0.115 0.000 0.976 1096 W CA -2.215 55.031 57.345 -0.164 0.000 1.744 1096 W CB 0.806 30.132 29.460 -0.223 0.000 1.815 1096 W HN -0.032 nan 8.180 nan 0.000 0.396 1097 P HA 0.123 nan 4.420 nan 0.000 0.271 1097 P C -0.447 176.775 177.300 -0.129 0.000 1.218 1097 P CA 0.276 63.403 63.100 0.044 0.000 0.780 1097 P CB 1.907 33.787 31.700 0.300 0.000 0.901 1098 L N 3.868 125.052 121.223 -0.064 0.000 2.322 1098 L HA 0.607 4.946 4.340 -0.002 0.000 0.279 1098 L C 0.240 177.059 176.870 -0.084 0.000 1.036 1098 L CA -0.676 54.053 54.840 -0.185 0.000 0.807 1098 L CB 0.547 42.603 42.059 -0.004 0.000 1.226 1098 L HN 0.463 nan 8.230 nan 0.000 0.433 1099 F N 0.164 120.076 119.950 -0.064 0.000 2.817 1099 F HA 0.739 5.265 4.527 -0.001 0.000 0.317 1099 F C -1.176 174.503 175.800 -0.202 0.000 1.168 1099 F CA -1.382 56.486 58.000 -0.221 0.000 0.911 1099 F CB 1.549 40.355 39.000 -0.324 0.000 1.337 1099 F HN 0.231 nan 8.300 nan 0.000 0.464 1100 R N 0.428 120.892 120.500 -0.060 0.000 2.604 1100 R HA 0.430 4.769 4.340 -0.002 0.000 0.281 1100 R C -2.416 173.743 176.300 -0.234 0.000 1.020 1100 R CA -0.922 55.092 56.100 -0.145 0.000 0.899 1100 R CB 2.700 32.929 30.300 -0.118 0.000 1.205 1100 R HN 0.844 nan 8.270 nan 0.000 0.450 1101 Y N 2.247 122.309 120.300 -0.397 0.000 2.388 1101 Y HA 0.262 4.811 4.550 -0.002 0.000 0.328 1101 Y C -1.036 174.547 175.900 -0.528 0.000 0.963 1101 Y CA -0.623 57.302 58.100 -0.291 0.000 1.240 1101 Y CB 1.099 39.484 38.460 -0.125 0.000 1.118 1101 Y HN 0.456 nan 8.280 nan 0.000 0.484 1102 D N 8.418 128.482 120.400 -0.559 0.000 2.441 1102 D HA 0.307 4.946 4.640 -0.002 0.000 0.231 1102 D C -2.156 173.914 176.300 -0.384 0.000 1.073 1102 D CA -2.459 51.349 54.000 -0.321 0.000 0.850 1102 D CB 2.260 43.033 40.800 -0.044 0.000 1.062 1102 D HN 0.309 nan 8.370 nan 0.000 0.524 1103 P HA -0.152 nan 4.420 nan 0.000 0.218 1103 P C 1.272 178.489 177.300 -0.139 0.000 1.148 1103 P CA 1.119 64.004 63.100 -0.358 0.000 0.822 1103 P CB 0.131 31.408 31.700 -0.705 0.000 0.784 1104 R N -0.223 120.283 120.500 0.011 0.000 2.189 1104 R HA -0.033 4.306 4.340 -0.002 0.000 0.223 1104 R C 1.903 178.313 176.300 0.184 0.000 1.092 1104 R CA 1.094 57.367 56.100 0.289 0.000 0.989 1104 R CB -1.482 29.020 30.300 0.337 0.000 0.876 1104 R HN 0.254 nan 8.270 nan 0.000 0.457 1105 L N 0.883 122.134 121.223 0.046 0.000 2.156 1105 L HA -0.008 4.331 4.340 -0.002 0.000 0.208 1105 L C 2.763 179.650 176.870 0.028 0.000 1.095 1105 L CA 1.095 55.932 54.840 -0.005 0.000 0.770 1105 L CB -0.499 41.486 42.059 -0.123 0.000 0.914 1105 L HN 0.299 nan 8.230 nan 0.000 0.439 1106 A N 0.099 122.959 122.820 0.067 0.000 1.969 1106 A HA -0.059 4.260 4.320 -0.002 0.000 0.218 1106 A C 2.485 180.286 177.584 0.361 0.000 1.169 1106 A CA 1.382 53.592 52.037 0.289 0.000 0.635 1106 A CB -0.453 18.769 19.000 0.370 0.000 0.810 1106 A HN 0.372 nan 8.150 nan 0.000 0.445 1107 A N 0.173 123.193 122.820 0.334 0.000 2.067 1107 A HA -0.118 4.202 4.320 -0.002 0.000 0.219 1107 A C 1.902 179.605 177.584 0.199 0.000 1.158 1107 A CA 1.358 53.572 52.037 0.294 0.000 0.661 1107 A CB -0.433 18.787 19.000 0.367 0.000 0.801 1107 A HN 0.768 nan 8.150 nan 0.000 0.452 1108 Q N -1.706 118.202 119.800 0.181 0.000 2.201 1108 Q HA 0.419 4.758 4.340 -0.002 0.000 0.217 1108 Q C 0.741 176.825 176.000 0.139 0.000 0.860 1108 Q CA 0.287 56.169 55.803 0.131 0.000 0.984 1108 Q CB -0.254 28.544 28.738 0.101 0.000 1.095 1108 Q HN 0.790 nan 8.270 nan 0.000 0.477 1109 G N 1.345 110.273 108.800 0.213 0.000 2.153 1109 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.252 1109 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.252 1109 G C -0.307 174.777 174.900 0.306 0.000 0.994 1109 G CA 0.404 45.672 45.100 0.280 0.000 0.698 1109 G HN 0.365 nan 8.290 nan 0.000 0.521 1110 K N -0.214 120.254 120.400 0.113 0.000 2.267 1110 K HA 0.398 4.717 4.320 -0.002 0.000 0.246 1110 K C -0.082 176.053 176.600 -0.774 0.000 0.954 1110 K CA -1.102 55.081 56.287 -0.174 0.000 0.824 1110 K CB 0.936 33.369 32.500 -0.112 0.000 1.167 1110 K HN 0.050 nan 8.250 nan 0.000 0.431 1111 N N 3.481 121.635 118.700 -0.910 0.000 2.440 1111 N HA -0.010 4.729 4.740 -0.002 0.000 0.265 1111 N C -1.603 173.515 175.510 -0.653 0.000 1.239 1111 N CA -1.311 51.080 53.050 -1.098 0.000 0.909 1111 N CB 0.776 38.952 38.487 -0.518 0.000 1.066 1111 N HN 0.363 nan 8.380 nan 0.000 0.474 1112 P HA -0.097 nan 4.420 nan 0.000 0.221 1112 P C 0.331 177.280 177.300 -0.585 0.000 1.150 1112 P CA 0.610 63.321 63.100 -0.649 0.000 0.800 1112 P CB 0.092 31.222 31.700 -0.950 0.000 0.787 1113 F N 1.998 121.635 119.950 -0.521 0.000 2.438 1113 F HA 0.259 4.785 4.527 -0.002 0.000 0.356 1113 F C 0.127 175.812 175.800 -0.192 0.000 1.099 1113 F CA -0.199 57.640 58.000 -0.269 0.000 1.185 1113 F CB 0.502 39.430 39.000 -0.120 0.000 1.115 1113 F HN -0.141 nan 8.300 nan 0.000 0.526 1114 Q N 6.201 125.485 119.800 -0.860 0.000 2.304 1114 Q HA 0.431 4.770 4.340 -0.002 0.000 0.270 1114 Q C -1.641 173.954 176.000 -0.676 0.000 1.035 1114 Q CA -1.142 54.319 55.803 -0.570 0.000 0.781 1114 Q CB 2.722 31.279 28.738 -0.301 0.000 1.261 1114 Q HN 0.605 nan 8.270 nan 0.000 0.444 1115 L N 2.605 123.574 121.223 -0.424 0.000 2.276 1115 L HA 0.269 4.608 4.340 -0.002 0.000 0.286 1115 L C -0.077 176.763 176.870 -0.051 0.000 1.061 1115 L CA 0.499 55.208 54.840 -0.218 0.000 0.807 1115 L CB 0.811 42.792 42.059 -0.129 0.000 1.177 1115 L HN 0.650 nan 8.230 nan 0.000 0.429 1116 D N 1.304 121.718 120.400 0.025 0.000 2.379 1116 D HA 0.092 4.731 4.640 -0.002 0.000 0.208 1116 D C 0.337 176.740 176.300 0.172 0.000 1.065 1116 D CA 0.436 54.491 54.000 0.092 0.000 0.848 1116 D CB 0.483 41.346 40.800 0.105 0.000 0.949 1116 D HN 0.603 nan 8.370 nan 0.000 0.509 1117 S N -0.744 115.056 115.700 0.166 0.000 2.715 1117 S HA 0.629 5.098 4.470 -0.002 0.000 0.307 1117 S C -0.103 174.660 174.600 0.273 0.000 1.119 1117 S CA -0.861 57.430 58.200 0.152 0.000 0.937 1117 S CB 2.593 65.750 63.200 -0.072 0.000 1.150 1117 S HN -0.220 nan 8.310 nan 0.000 0.521 1118 K N 0.091 120.582 120.400 0.152 0.000 2.168 1118 K HA 0.734 5.053 4.320 -0.002 0.000 0.239 1118 K C 0.078 176.444 176.600 -0.388 0.000 0.999 1118 K CA -0.839 55.502 56.287 0.090 0.000 0.900 1118 K CB 1.189 33.717 32.500 0.048 0.000 1.111 1118 K HN 0.827 nan 8.250 nan 0.000 0.452 1119 A N 1.932 124.422 122.820 -0.551 0.000 2.547 1119 A HA 0.123 4.442 4.320 -0.002 0.000 0.233 1119 A C -2.152 175.040 177.584 -0.654 0.000 1.067 1119 A CA -0.656 50.752 52.037 -1.048 0.000 0.763 1119 A CB -0.831 17.942 19.000 -0.378 0.000 1.007 1119 A HN 0.387 nan 8.150 nan 0.000 0.506 1120 P HA 0.007 nan 4.420 nan 0.000 0.261 1120 P C -0.303 176.881 177.300 -0.193 0.000 1.173 1120 P CA 0.661 63.572 63.100 -0.314 0.000 0.760 1120 P CB 0.414 31.984 31.700 -0.217 0.000 0.783 1121 D N 2.140 122.455 120.400 -0.141 0.000 2.328 1121 D HA 0.101 4.740 4.640 -0.002 0.000 0.221 1121 D C 1.304 177.570 176.300 -0.057 0.000 1.072 1121 D CA 0.169 54.118 54.000 -0.085 0.000 0.850 1121 D CB -0.655 40.109 40.800 -0.060 0.000 0.922 1121 D HN 0.524 nan 8.370 nan 0.000 0.516 1122 G N 0.372 109.137 108.800 -0.059 0.000 2.148 1122 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.254 1122 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.254 1122 G C 0.936 175.824 174.900 -0.020 0.000 0.981 1122 G CA 0.651 45.731 45.100 -0.032 0.000 0.670 1122 G HN 0.733 nan 8.290 nan 0.000 0.528 1123 S N -1.075 114.609 115.700 -0.027 0.000 2.577 1123 S HA 0.375 4.844 4.470 -0.002 0.000 0.219 1123 S C 1.969 176.578 174.600 0.015 0.000 0.962 1123 S CA 1.006 59.203 58.200 -0.005 0.000 0.921 1123 S CB 1.044 64.241 63.200 -0.005 0.000 0.789 1123 S HN 1.106 nan 8.310 nan 0.000 0.497 1124 V N 1.975 121.888 119.914 -0.001 0.000 2.287 1124 V HA -0.227 3.892 4.120 -0.002 0.000 0.248 1124 V C 2.654 178.776 176.094 0.048 0.000 1.053 1124 V CA 2.784 65.102 62.300 0.030 0.000 1.027 1124 V CB -0.625 31.213 31.823 0.026 0.000 0.646 1124 V HN 0.658 nan 8.190 nan 0.000 0.447 1125 E N 0.797 121.005 120.200 0.013 0.000 2.070 1125 E HA -0.262 4.087 4.350 -0.002 0.000 0.197 1125 E C 2.187 178.777 176.600 -0.017 0.000 1.004 1125 E CA 2.200 58.593 56.400 -0.012 0.000 0.805 1125 E CB -0.460 29.239 29.700 -0.002 0.000 0.744 1125 E HN 0.850 nan 8.360 nan 0.000 0.451 1126 E N -0.024 120.184 120.200 0.013 0.000 2.150 1126 E HA -0.194 4.155 4.350 -0.002 0.000 0.193 1126 E C 2.182 178.791 176.600 0.015 0.000 0.985 1126 E CA 0.888 57.295 56.400 0.012 0.000 0.814 1126 E CB -0.809 28.907 29.700 0.026 0.000 0.752 1126 E HN 0.422 nan 8.360 nan 0.000 0.466 1127 F N 2.515 122.394 119.950 -0.119 0.000 2.069 1127 F HA -0.126 4.400 4.527 -0.002 0.000 0.298 1127 F C 2.157 177.831 175.800 -0.209 0.000 1.113 1127 F CA 1.380 59.284 58.000 -0.160 0.000 1.214 1127 F CB -0.336 38.532 39.000 -0.220 0.000 0.978 1127 F HN -0.116 nan 8.300 nan 0.000 0.474 1128 L N -0.519 120.452 121.223 -0.421 0.000 2.027 1128 L HA -0.237 4.102 4.340 -0.002 0.000 0.206 1128 L C 2.472 179.178 176.870 -0.273 0.000 1.074 1128 L CA 1.046 55.480 54.840 -0.677 0.000 0.745 1128 L CB -0.739 40.873 42.059 -0.743 0.000 0.898 1128 L HN 0.177 nan 8.230 nan 0.000 0.433 1129 M N -0.344 119.169 119.600 -0.145 0.000 2.549 1129 M HA -0.058 4.421 4.480 -0.002 0.000 0.260 1129 M C 2.039 178.314 176.300 -0.042 0.000 1.076 1129 M CA 0.980 56.254 55.300 -0.043 0.000 1.090 1129 M CB -1.154 31.431 32.600 -0.025 0.000 1.418 1129 M HN 0.249 nan 8.290 nan 0.000 0.486 1130 A N -0.218 122.546 122.820 -0.093 0.000 2.278 1130 A HA 0.087 4.406 4.320 -0.002 0.000 0.212 1130 A C 0.543 178.080 177.584 -0.079 0.000 1.213 1130 A CA 0.107 52.100 52.037 -0.074 0.000 0.840 1130 A CB -0.115 18.841 19.000 -0.074 0.000 0.866 1130 A HN 0.509 nan 8.150 nan 0.000 0.489 1131 Q N -0.915 118.849 119.800 -0.060 0.000 2.321 1131 Q HA 0.230 4.569 4.340 -0.002 0.000 0.270 1131 Q C -0.056 175.961 176.000 0.028 0.000 1.032 1131 Q CA -0.596 55.197 55.803 -0.018 0.000 0.784 1131 Q CB 1.497 30.238 28.738 0.004 0.000 1.264 1131 Q HN 0.337 nan 8.270 nan 0.000 0.448 1132 N N 1.902 120.594 118.700 -0.014 0.000 2.289 1132 N HA -0.190 4.549 4.740 -0.002 0.000 0.184 1132 N C 1.503 176.977 175.510 -0.059 0.000 1.016 1132 N CA 1.447 54.484 53.050 -0.022 0.000 0.872 1132 N CB 0.265 38.732 38.487 -0.033 0.000 0.973 1132 N HN 0.534 nan 8.380 nan 0.000 0.433 1133 R N -1.423 118.993 120.500 -0.139 0.000 2.241 1133 R HA -0.087 4.252 4.340 -0.002 0.000 0.224 1133 R C 0.944 176.988 176.300 -0.426 0.000 1.101 1133 R CA 1.329 57.243 56.100 -0.310 0.000 0.995 1133 R CB -0.489 29.543 30.300 -0.447 0.000 0.870 1133 R HN 0.275 nan 8.270 nan 0.000 0.463 1134 F N 0.295 120.219 119.950 -0.042 0.000 2.514 1134 F HA 0.394 4.920 4.527 -0.002 0.000 0.281 1134 F C 2.668 178.460 175.800 -0.013 0.000 1.060 1134 F CA 0.240 58.226 58.000 -0.024 0.000 1.397 1134 F CB -0.223 38.745 39.000 -0.053 0.000 1.129 1134 F HN 0.036 nan 8.300 nan 0.000 0.620 1135 A N 0.073 122.988 122.820 0.159 0.000 1.908 1135 A HA -0.180 4.139 4.320 -0.002 0.000 0.218 1135 A C 2.284 179.900 177.584 0.054 0.000 1.181 1135 A CA 1.934 54.020 52.037 0.082 0.000 0.627 1135 A CB -1.283 17.742 19.000 0.043 0.000 0.818 1135 A HN 0.240 nan 8.150 nan 0.000 0.445 1136 V N -0.543 119.390 119.914 0.031 0.000 2.469 1136 V HA -0.211 3.908 4.120 -0.002 0.000 0.251 1136 V C 2.305 178.429 176.094 0.050 0.000 1.064 1136 V CA 2.339 64.650 62.300 0.018 0.000 1.066 1136 V CB -0.389 31.432 31.823 -0.004 0.000 0.667 1136 V HN 0.550 nan 8.190 nan 0.000 0.461 1137 L N 0.401 121.678 121.223 0.090 0.000 2.109 1137 L HA -0.064 4.275 4.340 -0.002 0.000 0.207 1137 L C 2.126 179.090 176.870 0.156 0.000 1.086 1137 L CA 2.582 57.524 54.840 0.170 0.000 0.760 1137 L CB -0.763 41.396 42.059 0.166 0.000 0.910 1137 L HN 0.501 nan 8.230 nan 0.000 0.437 1138 D N -0.857 119.608 120.400 0.109 0.000 2.144 1138 D HA -0.198 4.441 4.640 -0.002 0.000 0.199 1138 D C 2.229 178.549 176.300 0.033 0.000 0.984 1138 D CA 1.272 55.320 54.000 0.080 0.000 0.834 1138 D CB 0.097 40.936 40.800 0.065 0.000 0.955 1138 D HN 0.266 nan 8.370 nan 0.000 0.465 1139 R N -0.425 120.080 120.500 0.007 0.000 2.115 1139 R HA 0.057 4.396 4.340 -0.002 0.000 0.226 1139 R C 2.227 178.462 176.300 -0.108 0.000 1.100 1139 R CA 1.050 57.127 56.100 -0.037 0.000 0.980 1139 R CB 0.020 30.299 30.300 -0.034 0.000 0.875 1139 R HN 0.107 nan 8.270 nan 0.000 0.445 1140 S N -0.063 115.546 115.700 -0.153 0.000 2.387 1140 S HA 0.102 4.571 4.470 -0.002 0.000 0.221 1140 S C 0.229 174.382 174.600 -0.745 0.000 1.041 1140 S CA 0.651 58.572 58.200 -0.465 0.000 0.959 1140 S CB 0.277 63.185 63.200 -0.487 0.000 0.843 1140 S HN 0.112 nan 8.310 nan 0.000 0.488 1141 F N 1.717 121.674 119.950 0.012 0.000 2.622 1141 F HA 0.378 4.904 4.527 -0.002 0.000 0.338 1141 F C -1.961 173.852 175.800 0.021 0.000 1.334 1141 F CA -2.178 55.832 58.000 0.016 0.000 1.179 1141 F CB 1.150 40.161 39.000 0.018 0.000 1.471 1141 F HN 0.009 nan 8.300 nan 0.000 0.576 1142 P HA -0.220 nan 4.420 nan 0.000 0.216 1142 P C 1.035 178.388 177.300 0.088 0.000 1.153 1142 P CA 1.782 64.928 63.100 0.078 0.000 0.858 1142 P CB 0.496 32.216 31.700 0.034 0.000 0.789 1143 E N -0.217 120.040 120.200 0.096 0.000 2.028 1143 E HA -0.163 4.186 4.350 -0.002 0.000 0.191 1143 E C 1.856 178.506 176.600 0.084 0.000 0.988 1143 E CA 1.271 57.719 56.400 0.079 0.000 0.799 1143 E CB -0.372 29.372 29.700 0.074 0.000 0.755 1143 E HN 0.252 nan 8.360 nan 0.000 0.447 1144 D N 0.578 121.044 120.400 0.110 0.000 2.117 1144 D HA -0.123 4.516 4.640 -0.002 0.000 0.197 1144 D C 1.859 178.213 176.300 0.090 0.000 0.987 1144 D CA 1.245 55.294 54.000 0.082 0.000 0.829 1144 D CB -0.392 40.442 40.800 0.057 0.000 0.961 1144 D HN 0.159 nan 8.370 nan 0.000 0.460 1145 A N 1.131 124.025 122.820 0.123 0.000 1.883 1145 A HA -0.266 4.053 4.320 -0.002 0.000 0.217 1145 A C 2.072 179.713 177.584 0.095 0.000 1.186 1145 A CA 2.024 54.135 52.037 0.123 0.000 0.624 1145 A CB -0.603 18.479 19.000 0.137 0.000 0.822 1145 A HN 0.189 nan 8.150 nan 0.000 0.444 1146 K N -0.557 119.889 120.400 0.076 0.000 2.032 1146 K HA -0.193 4.126 4.320 -0.002 0.000 0.209 1146 K C 2.328 178.960 176.600 0.052 0.000 1.048 1146 K CA 1.672 57.992 56.287 0.056 0.000 0.927 1146 K CB -0.218 32.309 32.500 0.045 0.000 0.712 1146 K HN 0.446 nan 8.250 nan 0.000 0.441 1147 R N 0.325 120.856 120.500 0.052 0.000 2.096 1147 R HA -0.083 4.257 4.340 -0.002 0.000 0.235 1147 R C 2.442 178.777 176.300 0.057 0.000 1.127 1147 R CA 1.335 57.461 56.100 0.044 0.000 0.968 1147 R CB -0.271 30.050 30.300 0.037 0.000 0.861 1147 R HN 0.254 nan 8.270 nan 0.000 0.440 1148 L N 0.038 121.305 121.223 0.074 0.000 2.093 1148 L HA -0.142 4.197 4.340 -0.002 0.000 0.208 1148 L C 2.502 179.437 176.870 0.108 0.000 1.085 1148 L CA 1.279 56.177 54.840 0.097 0.000 0.755 1148 L CB -0.270 41.859 42.059 0.115 0.000 0.904 1148 L HN 0.149 nan 8.230 nan 0.000 0.435 1149 R N -0.261 120.292 120.500 0.089 0.000 2.115 1149 R HA -0.041 4.298 4.340 -0.002 0.000 0.226 1149 R C 2.368 178.703 176.300 0.057 0.000 1.100 1149 R CA 1.065 57.199 56.100 0.056 0.000 0.980 1149 R CB -0.318 29.995 30.300 0.022 0.000 0.875 1149 R HN 0.310 nan 8.270 nan 0.000 0.445 1150 A N 0.954 123.809 122.820 0.058 0.000 1.969 1150 A HA -0.215 4.104 4.320 -0.002 0.000 0.218 1150 A C 2.097 179.734 177.584 0.087 0.000 1.169 1150 A CA 1.214 53.285 52.037 0.057 0.000 0.635 1150 A CB -0.283 18.738 19.000 0.035 0.000 0.810 1150 A HN 0.172 nan 8.150 nan 0.000 0.445 1151 Q N -0.054 119.801 119.800 0.093 0.000 2.084 1151 Q HA -0.096 4.243 4.340 -0.002 0.000 0.202 1151 Q C 1.845 177.935 176.000 0.149 0.000 0.978 1151 Q CA 2.098 57.975 55.803 0.123 0.000 0.844 1151 Q CB -0.573 28.227 28.738 0.104 0.000 0.898 1151 Q HN 0.327 nan 8.270 nan 0.000 0.426 1152 V N 0.624 120.619 119.914 0.136 0.000 2.295 1152 V HA -0.271 3.848 4.120 -0.002 0.000 0.246 1152 V C 2.269 178.444 176.094 0.134 0.000 1.049 1152 V CA 1.786 64.176 62.300 0.151 0.000 1.024 1152 V CB -1.242 30.683 31.823 0.170 0.000 0.648 1152 V HN 0.528 nan 8.190 nan 0.000 0.447 1153 A N -0.648 122.242 122.820 0.117 0.000 1.908 1153 A HA -0.315 4.004 4.320 -0.002 0.000 0.218 1153 A C 2.113 179.769 177.584 0.120 0.000 1.181 1153 A CA 2.409 54.507 52.037 0.100 0.000 0.627 1153 A CB -0.814 18.234 19.000 0.080 0.000 0.818 1153 A HN 0.736 nan 8.150 nan 0.000 0.445 1154 H N -0.042 119.052 119.070 0.040 0.000 2.357 1154 H HA -0.035 4.520 4.556 -0.002 0.000 0.301 1154 H C 1.939 177.289 175.328 0.036 0.000 1.082 1154 H CA 1.931 58.000 56.048 0.034 0.000 1.342 1154 H CB -0.130 29.650 29.762 0.030 0.000 1.389 1154 H HN 0.633 nan 8.280 nan 0.000 0.511 1155 E N -0.117 120.087 120.200 0.006 0.000 2.038 1155 E HA -0.170 4.179 4.350 -0.002 0.000 0.195 1155 E C 2.260 178.824 176.600 -0.059 0.000 1.000 1155 E CA 1.533 57.900 56.400 -0.055 0.000 0.803 1155 E CB -0.214 29.500 29.700 0.024 0.000 0.750 1155 E HN 0.549 nan 8.360 nan 0.000 0.448 1156 L N 0.146 121.367 121.223 -0.003 0.000 2.201 1156 L HA -0.045 4.294 4.340 -0.002 0.000 0.212 1156 L C 1.819 178.706 176.870 0.029 0.000 1.105 1156 L CA 1.963 56.812 54.840 0.015 0.000 0.775 1156 L CB -0.509 41.574 42.059 0.040 0.000 0.913 1156 L HN -0.071 nan 8.230 nan 0.000 0.440 1157 D N 0.304 120.699 120.400 -0.008 0.000 2.103 1157 D HA -0.156 4.483 4.640 -0.002 0.000 0.199 1157 D C 1.975 178.273 176.300 -0.004 0.000 0.978 1157 D CA 1.541 55.542 54.000 0.003 0.000 0.829 1157 D CB -0.019 40.779 40.800 -0.003 0.000 0.981 1157 D HN 0.131 nan 8.370 nan 0.000 0.464 1158 V N 0.327 120.167 119.914 -0.123 0.000 2.343 1158 V HA -0.176 3.943 4.120 -0.002 0.000 0.247 1158 V C 2.649 178.710 176.094 -0.055 0.000 1.051 1158 V CA 1.954 64.180 62.300 -0.123 0.000 1.036 1158 V CB -0.619 31.055 31.823 -0.248 0.000 0.654 1158 V HN 0.206 nan 8.190 nan 0.000 0.451 1159 R N -0.690 119.781 120.500 -0.049 0.000 2.081 1159 R HA -0.189 4.150 4.340 -0.002 0.000 0.235 1159 R C 2.218 178.507 176.300 -0.019 0.000 1.131 1159 R CA 1.894 57.964 56.100 -0.051 0.000 0.960 1159 R CB -0.426 29.845 30.300 -0.049 0.000 0.856 1159 R HN 0.446 nan 8.270 nan 0.000 0.436 1160 F N 1.430 121.342 119.950 -0.062 0.000 2.171 1160 F HA -0.127 4.399 4.527 -0.001 0.000 0.300 1160 F C 1.820 177.602 175.800 -0.030 0.000 1.090 1160 F CA 1.644 59.623 58.000 -0.035 0.000 1.293 1160 F CB 0.081 39.065 39.000 -0.026 0.000 1.013 1160 F HN -0.055 nan 8.300 nan 0.000 0.486 1161 K N -0.008 120.460 120.400 0.112 0.000 2.148 1161 K HA -0.169 4.150 4.320 -0.002 0.000 0.204 1161 K C 1.912 178.534 176.600 0.036 0.000 1.050 1161 K CA 1.691 58.018 56.287 0.066 0.000 0.942 1161 K CB -0.204 32.361 32.500 0.109 0.000 0.724 1161 K HN 0.397 nan 8.250 nan 0.000 0.446 1162 E N 0.796 120.980 120.200 -0.026 0.000 2.072 1162 E HA -0.140 4.209 4.350 -0.002 0.000 0.191 1162 E C 2.013 178.496 176.600 -0.194 0.000 0.985 1162 E CA 0.837 57.192 56.400 -0.076 0.000 0.801 1162 E CB -0.044 29.567 29.700 -0.147 0.000 0.750 1162 E HN 0.226 nan 8.360 nan 0.000 0.452 1163 L N 1.007 122.049 121.223 -0.302 0.000 2.083 1163 L HA -0.182 4.157 4.340 -0.002 0.000 0.209 1163 L C 2.319 179.045 176.870 -0.241 0.000 1.083 1163 L CA 1.189 55.792 54.840 -0.395 0.000 0.752 1163 L CB -0.439 41.389 42.059 -0.385 0.000 0.899 1163 L HN 0.131 nan 8.230 nan 0.000 0.433 1164 E N -0.769 119.250 120.200 -0.303 0.000 2.077 1164 E HA -0.223 4.126 4.350 -0.002 0.000 0.193 1164 E C 2.177 178.677 176.600 -0.166 0.000 0.989 1164 E CA 0.996 57.257 56.400 -0.231 0.000 0.800 1164 E CB -0.137 29.419 29.700 -0.240 0.000 0.746 1164 E HN 0.525 nan 8.360 nan 0.000 0.452 1165 H N 0.004 118.999 119.070 -0.124 0.000 2.421 1165 H HA -0.051 4.504 4.556 -0.002 0.000 0.298 1165 H C 2.125 177.384 175.328 -0.116 0.000 1.087 1165 H CA 1.137 57.125 56.048 -0.100 0.000 1.330 1165 H CB -0.021 29.676 29.762 -0.108 0.000 1.388 1165 H HN 0.207 nan 8.280 nan 0.000 0.526 1166 M N -0.423 119.118 119.600 -0.099 0.000 2.175 1166 M HA -0.074 4.405 4.480 -0.002 0.000 0.264 1166 M C 2.616 178.913 176.300 -0.005 0.000 1.063 1166 M CA 1.232 56.403 55.300 -0.216 0.000 1.119 1166 M CB -0.038 32.107 32.600 -0.759 0.000 1.377 1166 M HN 0.189 nan 8.290 nan 0.000 0.415 1167 A N -0.107 122.793 122.820 0.134 0.000 2.014 1167 A HA 0.151 4.470 4.320 -0.002 0.000 0.218 1167 A C 2.145 179.759 177.584 0.050 0.000 1.163 1167 A CA 1.484 53.635 52.037 0.190 0.000 0.652 1167 A CB -0.516 18.570 19.000 0.145 0.000 0.808 1167 A HN 0.474 nan 8.150 nan 0.000 0.449 1168 A N -1.286 121.547 122.820 0.023 0.000 2.238 1168 A HA 0.287 4.606 4.320 -0.002 0.000 0.210 1168 A C 1.332 178.946 177.584 0.049 0.000 1.179 1168 A CA 0.857 52.904 52.037 0.016 0.000 0.827 1168 A CB -0.590 18.400 19.000 -0.016 0.000 0.856 1168 A HN 0.342 nan 8.150 nan 0.000 0.488 1169 T N -0.450 114.143 114.554 0.066 0.000 2.900 1169 T HA 0.073 4.422 4.350 -0.002 0.000 0.307 1169 T C 0.877 175.670 174.700 0.156 0.000 1.065 1169 T CA 0.282 62.441 62.100 0.098 0.000 1.105 1169 T CB 0.234 69.159 68.868 0.094 0.000 0.979 1169 T HN 0.505 nan 8.240 nan 0.000 0.544 1170 N N 2.498 121.301 118.700 0.173 0.000 2.205 1170 N HA 0.151 4.890 4.740 -0.002 0.000 0.201 1170 N C -0.399 175.259 175.510 0.248 0.000 1.128 1170 N CA -0.227 52.968 53.050 0.242 0.000 0.867 1170 N CB 0.286 38.852 38.487 0.133 0.000 0.996 1170 N HN 0.408 nan 8.380 nan 0.000 0.503 1171 I N 2.928 123.611 120.570 0.189 0.000 2.328 1171 I HA 0.285 4.454 4.170 -0.002 0.000 0.287 1171 I C -0.947 175.271 176.117 0.168 0.000 1.012 1171 I CA -0.433 60.891 61.300 0.039 0.000 1.195 1171 I CB -0.119 37.884 38.000 0.006 0.000 1.350 1171 I HN -0.009 nan 8.210 nan 0.000 0.464 1172 F N 2.764 122.732 119.950 0.031 0.000 2.601 1172 F HA 0.597 5.123 4.527 -0.001 0.000 0.309 1172 F C -0.038 175.808 175.800 0.076 0.000 1.089 1172 F CA -1.325 56.706 58.000 0.053 0.000 0.940 1172 F CB 0.701 39.729 39.000 0.046 0.000 1.273 1172 F HN 0.282 nan 8.300 nan 0.000 0.450 1173 E N 1.326 121.678 120.200 0.253 0.000 2.414 1173 E HA 0.231 4.580 4.350 -0.002 0.000 0.263 1173 E C -0.090 176.673 176.600 0.271 0.000 1.000 1173 E CA -0.161 56.358 56.400 0.199 0.000 0.914 1173 E CB 1.015 30.851 29.700 0.227 0.000 0.948 1173 E HN 0.661 nan 8.360 nan 0.000 0.444 1174 S N 2.240 118.054 115.700 0.190 0.000 2.634 1174 S HA 0.372 4.841 4.470 -0.002 0.000 0.261 1174 S C -0.917 173.909 174.600 0.378 0.000 1.271 1174 S CA -0.500 57.841 58.200 0.234 0.000 0.985 1174 S CB 0.375 63.646 63.200 0.118 0.000 0.968 1174 S HN 0.405 nan 8.310 nan 0.000 0.568 1175 F N 0.730 120.787 119.950 0.178 0.000 2.581 1175 F HA 0.703 5.229 4.527 -0.002 0.000 0.311 1175 F C -0.845 175.033 175.800 0.131 0.000 1.113 1175 F CA -0.614 57.504 58.000 0.197 0.000 0.935 1175 F CB 1.430 40.584 39.000 0.256 0.000 1.232 1175 F HN 0.681 nan 8.300 nan 0.000 0.445 1176 A N 7.222 129.625 122.820 -0.694 0.000 2.429 1176 A HA 0.617 4.936 4.320 -0.002 0.000 0.289 1176 A C -2.294 174.819 177.584 -0.786 0.000 1.043 1176 A CA -1.040 50.609 52.037 -0.646 0.000 0.722 1176 A CB 1.038 19.879 19.000 -0.264 0.000 1.243 1176 A HN 0.584 nan 8.150 nan 0.000 0.415 1177 P HA 0.120 nan 4.420 nan 0.000 0.216 1177 P C 0.686 177.833 177.300 -0.255 0.000 1.153 1177 P CA 1.915 64.757 63.100 -0.430 0.000 0.848 1177 P CB 0.403 31.931 31.700 -0.285 0.000 0.787 1178 A N -2.081 120.613 122.820 -0.211 0.000 3.865 1178 A HA 0.657 4.976 4.320 -0.002 0.000 0.284 1178 A C -0.475 177.036 177.584 -0.121 0.000 1.105 1178 A CA 0.048 51.998 52.037 -0.146 0.000 0.605 1178 A CB 0.549 19.485 19.000 -0.106 0.000 1.594 1178 A HN 0.233 nan 8.150 nan 0.000 0.741 1179 G N -1.856 106.892 108.800 -0.087 0.000 2.491 1179 G HA2 0.577 4.536 3.960 -0.002 0.000 0.232 1179 G HA3 0.577 4.536 3.960 -0.002 0.000 0.232 1179 G C 0.509 175.378 174.900 -0.053 0.000 1.609 1179 G CA 0.951 46.010 45.100 -0.068 0.000 0.880 1179 G HN 2.435 nan 8.290 nan 0.000 0.515 1180 G N -0.214 108.559 108.800 -0.045 0.000 2.528 1180 G HA2 0.527 4.486 3.960 -0.002 0.000 0.078 1180 G HA3 0.527 4.486 3.960 -0.002 0.000 0.078 1180 G C 0.692 175.576 174.900 -0.027 0.000 1.008 1180 G CA 1.136 46.215 45.100 -0.034 0.000 1.309 1180 G HN 1.188 nan 8.290 nan 0.000 0.564 1181 K N -1.071 119.314 120.400 -0.025 0.000 9.188 1181 K HA -0.228 4.092 4.320 -0.002 0.000 0.503 1181 K C 1.793 178.387 176.600 -0.009 0.000 0.367 1181 K CA 2.396 58.673 56.287 -0.015 0.000 1.958 1181 K CB -1.808 30.686 32.500 -0.009 0.000 0.698 1181 K HN 2.469 nan 8.250 nan 0.000 1.029 1182 A N 1.233 124.048 122.820 -0.009 0.000 5.395 1182 A HA -0.303 4.016 4.320 -0.002 0.000 0.324 1182 A C 0.037 177.619 177.584 -0.003 0.000 1.813 1182 A CA 2.235 54.268 52.037 -0.007 0.000 0.714 1182 A CB -1.049 17.946 19.000 -0.009 0.000 1.374 1182 A HN 0.764 nan 8.150 nan 0.000 0.390 1183 D N -2.452 117.946 120.400 -0.003 0.000 2.726 1183 D HA 0.626 5.265 4.640 -0.002 0.000 0.203 1183 D C -0.463 175.835 176.300 -0.003 0.000 1.297 1183 D CA 1.863 55.862 54.000 -0.001 0.000 0.863 1183 D CB 1.039 41.838 40.800 -0.002 0.000 1.669 1183 D HN 2.311 nan 8.370 nan 0.000 0.561 1184 G N 1.351 110.150 108.800 -0.002 0.000 2.355 1184 G HA2 0.491 4.450 3.960 -0.002 0.000 0.619 1184 G HA3 0.491 4.450 3.960 -0.002 0.000 0.619 1184 G C -1.046 173.852 174.900 -0.002 0.000 1.337 1184 G CA -0.248 44.850 45.100 -0.004 0.000 0.993 1184 G HN 1.187 nan 8.290 nan 0.000 0.599 1185 S N -2.122 113.576 115.700 -0.004 0.000 2.618 1185 S HA 0.899 5.368 4.470 -0.002 0.000 0.277 1185 S C -1.140 173.457 174.600 -0.004 0.000 1.138 1185 S CA -0.198 58.002 58.200 -0.001 0.000 0.844 1185 S CB 2.182 65.382 63.200 -0.001 0.000 1.127 1185 S HN 2.311 nan 8.310 nan 0.000 0.474 1186 V N 0.806 120.721 119.914 0.001 0.000 2.888 1186 V HA 0.591 4.710 4.120 -0.002 0.000 0.309 1186 V C -1.692 174.399 176.094 -0.005 0.000 1.114 1186 V CA -0.603 61.694 62.300 -0.006 0.000 0.940 1186 V CB 2.048 33.873 31.823 0.004 0.000 1.021 1186 V HN 1.161 nan 8.190 nan 0.000 0.426 1187 D N 3.212 123.582 120.400 -0.049 0.000 2.255 1187 D HA 0.292 4.931 4.640 -0.002 0.000 0.249 1187 D C 1.033 177.273 176.300 -0.100 0.000 1.078 1187 D CA -0.176 53.752 54.000 -0.121 0.000 0.896 1187 D CB 1.079 41.741 40.800 -0.231 0.000 1.194 1187 D HN 0.497 nan 8.370 nan 0.000 0.429 1188 F N 1.413 121.363 119.950 0.000 0.000 2.373 1188 F HA 0.142 4.668 4.527 -0.002 0.000 0.300 1188 F C 1.618 177.423 175.800 0.008 0.000 1.080 1188 F CA 0.655 58.656 58.000 0.003 0.000 1.417 1188 F CB -0.564 38.437 39.000 0.001 0.000 1.070 1188 F HN 0.304 nan 8.300 nan 0.000 0.546 1189 G N -0.475 108.135 108.800 -0.316 0.000 3.088 1189 G HA2 0.008 3.967 3.960 -0.002 0.000 0.217 1189 G HA3 0.008 3.967 3.960 -0.002 0.000 0.217 1189 G C -0.135 174.719 174.900 -0.076 0.000 1.159 1189 G CA -0.259 44.758 45.100 -0.138 0.000 0.760 1189 G HN 0.256 nan 8.290 nan 0.000 0.550 1190 E N 0.680 120.832 120.200 -0.080 0.000 2.415 1190 E HA 0.394 4.743 4.350 -0.002 0.000 0.260 1190 E C 1.384 177.978 176.600 -0.010 0.000 1.016 1190 E CA 0.849 57.221 56.400 -0.048 0.000 0.924 1190 E CB 0.184 29.858 29.700 -0.044 0.000 0.961 1190 E HN 0.332 nan 8.360 nan 0.000 0.459 1191 G N 2.882 111.676 108.800 -0.011 0.000 2.166 1191 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.260 1191 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.260 1191 G C 0.422 175.336 174.900 0.022 0.000 0.986 1191 G CA 0.226 45.328 45.100 0.002 0.000 0.683 1191 G HN 0.856 nan 8.290 nan 0.000 0.527 1192 A N -0.507 122.335 122.820 0.036 0.000 2.462 1192 A HA 0.635 4.954 4.320 -0.002 0.000 0.243 1192 A C 1.171 178.799 177.584 0.073 0.000 1.076 1192 A CA 1.050 53.134 52.037 0.078 0.000 0.773 1192 A CB 0.319 19.384 19.000 0.107 0.000 1.010 1192 A HN 0.362 nan 8.150 nan 0.000 0.493 1193 E N 0.516 120.792 120.200 0.127 0.000 2.208 1193 E HA 0.102 4.451 4.350 -0.002 0.000 0.193 1193 E C -0.562 175.998 176.600 -0.066 0.000 0.988 1193 E CA 1.085 57.524 56.400 0.066 0.000 0.828 1193 E CB -0.062 29.748 29.700 0.182 0.000 0.763 1193 E HN 0.621 nan 8.360 nan 0.000 0.478 1194 F N -1.267 118.692 119.950 0.015 0.000 2.631 1194 F HA 0.341 4.867 4.527 -0.002 0.000 0.328 1194 F C 0.041 175.856 175.800 0.024 0.000 1.067 1194 F CA -1.725 56.285 58.000 0.016 0.000 0.969 1194 F CB 0.795 39.805 39.000 0.017 0.000 1.332 1194 F HN -0.289 nan 8.300 nan 0.000 0.490 1195 c N 1.204 119.932 118.600 0.214 0.000 2.611 1195 c HA 0.269 4.838 4.570 -0.002 0.000 0.416 1195 c C 1.567 175.751 174.090 0.156 0.000 1.366 1195 c CA 0.375 56.785 56.329 0.135 0.000 1.761 1195 c CB -0.429 42.144 42.510 0.105 0.000 2.619 1195 c HN 0.925 nan 8.230 nan 0.000 0.606 1196 T N -0.408 114.236 114.554 0.149 0.000 3.044 1196 T HA 0.235 4.585 4.350 -0.002 0.000 0.260 1196 T C 0.409 175.259 174.700 0.251 0.000 1.019 1196 T CA -0.039 62.193 62.100 0.219 0.000 0.921 1196 T CB 0.206 69.267 68.868 0.322 0.000 1.053 1196 T HN 0.728 nan 8.240 nan 0.000 0.533 1197 R N 1.756 122.353 120.500 0.161 0.000 2.795 1197 R HA 0.542 4.881 4.340 -0.002 0.000 0.275 1197 R C -1.107 175.243 176.300 0.083 0.000 0.981 1197 R CA -0.837 55.346 56.100 0.138 0.000 0.917 1197 R CB 1.435 31.799 30.300 0.107 0.000 1.202 1197 R HN 0.341 nan 8.270 nan 0.000 0.469 1198 D N -0.584 119.856 120.400 0.066 0.000 2.447 1198 D HA 0.003 4.642 4.640 -0.002 0.000 0.265 1198 D C 0.106 176.428 176.300 0.035 0.000 1.250 1198 D CA -0.495 53.532 54.000 0.046 0.000 1.046 1198 D CB 0.429 41.250 40.800 0.035 0.000 1.095 1198 D HN 0.529 nan 8.370 nan 0.000 0.555 1199 D N -2.518 117.898 120.400 0.027 0.000 2.491 1199 D HA 0.104 4.743 4.640 -0.002 0.000 0.228 1199 D C 0.178 176.487 176.300 0.015 0.000 1.183 1199 D CA -0.487 53.524 54.000 0.019 0.000 0.827 1199 D CB -0.568 40.242 40.800 0.017 0.000 0.989 1199 D HN 0.420 nan 8.370 nan 0.000 0.494 1200 T N -3.964 110.600 114.554 0.016 0.000 2.912 1200 T HA 0.419 4.768 4.350 -0.002 0.000 0.280 1200 T C -1.660 173.044 174.700 0.007 0.000 0.989 1200 T CA -1.724 60.382 62.100 0.010 0.000 0.995 1200 T CB 1.718 70.592 68.868 0.010 0.000 1.077 1200 T HN -0.340 nan 8.240 nan 0.000 0.531 1201 P HA 0.044 nan 4.420 nan 0.000 0.220 1201 P C 1.565 178.862 177.300 -0.004 0.000 1.148 1201 P CA 1.091 64.189 63.100 -0.004 0.000 0.803 1201 P CB -0.116 31.577 31.700 -0.011 0.000 0.782 1202 M N -2.185 117.415 119.600 -0.001 0.000 2.229 1202 M HA -0.051 4.428 4.480 -0.002 0.000 0.264 1202 M C 1.860 178.168 176.300 0.014 0.000 1.063 1202 M CA 1.627 56.927 55.300 0.001 0.000 1.114 1202 M CB -0.494 32.106 32.600 -0.000 0.000 1.387 1202 M HN -0.076 nan 8.290 nan 0.000 0.420 1203 M N -0.484 119.129 119.600 0.022 0.000 2.441 1203 M HA 0.237 4.716 4.480 -0.002 0.000 0.244 1203 M C 0.572 176.887 176.300 0.026 0.000 1.122 1203 M CA -0.302 55.022 55.300 0.039 0.000 1.041 1203 M CB -0.005 32.630 32.600 0.058 0.000 1.438 1203 M HN 0.097 nan 8.290 nan 0.000 0.484 1204 A N 2.181 125.008 122.820 0.012 0.000 2.511 1204 A HA 0.341 4.660 4.320 -0.002 0.000 0.242 1204 A C 0.214 177.796 177.584 -0.003 0.000 1.069 1204 A CA 0.388 52.426 52.037 0.002 0.000 0.763 1204 A CB 0.278 19.276 19.000 -0.002 0.000 1.001 1204 A HN 0.324 nan 8.150 nan 0.000 0.498 1205 R N 1.666 122.160 120.500 -0.011 0.000 2.836 1205 R HA 0.388 4.727 4.340 -0.002 0.000 0.269 1205 R C -2.280 174.007 176.300 -0.022 0.000 1.010 1205 R CA -1.952 54.138 56.100 -0.017 0.000 0.930 1205 R CB 0.314 30.598 30.300 -0.027 0.000 1.218 1205 R HN 0.366 nan 8.270 nan 0.000 0.473 1206 P HA -0.137 nan 4.420 nan 0.000 0.216 1206 P C 0.106 177.390 177.300 -0.026 0.000 1.154 1206 P CA 1.400 64.487 63.100 -0.022 0.000 0.865 1206 P CB 0.309 31.996 31.700 -0.021 0.000 0.789 1207 D N -1.386 118.994 120.400 -0.034 0.000 2.328 1207 D HA 0.037 4.676 4.640 -0.002 0.000 0.221 1207 D C 0.706 176.981 176.300 -0.042 0.000 1.072 1207 D CA 0.320 54.297 54.000 -0.038 0.000 0.850 1207 D CB -0.050 40.722 40.800 -0.046 0.000 0.922 1207 D HN 0.263 nan 8.370 nan 0.000 0.516 1208 S N -1.187 114.491 115.700 -0.037 0.000 2.645 1208 S HA 0.532 5.001 4.470 -0.002 0.000 0.266 1208 S C 1.253 175.839 174.600 -0.024 0.000 1.258 1208 S CA 0.302 58.482 58.200 -0.035 0.000 0.990 1208 S CB 2.193 65.376 63.200 -0.027 0.000 0.967 1208 S HN 0.223 nan 8.310 nan 0.000 0.556 1209 G N -0.322 108.466 108.800 -0.020 0.000 2.229 1209 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.189 1209 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.189 1209 G C -0.164 174.727 174.900 -0.016 0.000 1.000 1209 G CA -0.002 45.089 45.100 -0.014 0.000 0.663 1209 G HN 0.988 nan 8.290 nan 0.000 0.493 1210 E N 0.980 121.168 120.200 -0.020 0.000 2.390 1210 E HA 0.603 4.952 4.350 -0.002 0.000 0.261 1210 E C 0.967 177.555 176.600 -0.019 0.000 1.076 1210 E CA 0.028 56.415 56.400 -0.022 0.000 0.905 1210 E CB 0.735 30.418 29.700 -0.027 0.000 0.984 1210 E HN 0.722 nan 8.360 nan 0.000 0.427 1211 A N 2.462 125.270 122.820 -0.021 0.000 2.445 1211 A HA 0.399 4.718 4.320 -0.002 0.000 0.242 1211 A C -0.242 177.324 177.584 -0.029 0.000 1.075 1211 A CA -0.049 51.975 52.037 -0.022 0.000 0.777 1211 A CB -0.383 18.602 19.000 -0.025 0.000 1.013 1211 A HN 0.773 nan 8.150 nan 0.000 0.493 1212 c N 0.093 118.676 118.600 -0.027 0.000 3.306 1212 c HA 0.631 5.200 4.570 -0.002 0.000 0.335 1212 c C -0.761 173.303 174.090 -0.044 0.000 1.382 1212 c CA -1.019 55.286 56.329 -0.040 0.000 1.254 1212 c CB 1.119 43.623 42.510 -0.010 0.000 1.555 1212 c HN 0.824 nan 8.230 nan 0.000 0.463 1213 D N 0.866 121.206 120.400 -0.101 0.000 2.338 1213 D HA 0.114 4.753 4.640 -0.002 0.000 0.255 1213 D C 0.375 176.734 176.300 0.099 0.000 1.237 1213 D CA 0.733 54.674 54.000 -0.099 0.000 0.883 1213 D CB 1.089 41.617 40.800 -0.454 0.000 1.087 1213 D HN 0.739 nan 8.370 nan 0.000 0.485 1214 Q N 3.108 122.969 119.800 0.102 0.000 2.282 1214 Q HA 0.033 4.372 4.340 -0.002 0.000 0.205 1214 Q C -0.155 175.938 176.000 0.155 0.000 0.915 1214 Q CA -0.093 55.785 55.803 0.124 0.000 0.949 1214 Q CB -0.079 28.700 28.738 0.068 0.000 1.035 1214 Q HN 0.494 nan 8.270 nan 0.000 0.484 1215 N N 0.282 119.137 118.700 0.259 0.000 2.741 1215 N HA -0.210 4.529 4.740 -0.002 0.000 0.250 1215 N C -0.250 175.326 175.510 0.109 0.000 1.115 1215 N CA 0.886 54.058 53.050 0.204 0.000 0.724 1215 N CB -0.598 37.938 38.487 0.081 0.000 1.090 1215 N HN 0.433 nan 8.380 nan 0.000 0.558 1216 R N -0.292 120.267 120.500 0.098 0.000 2.362 1216 R HA 0.293 4.632 4.340 -0.002 0.000 0.227 1216 R C 1.355 177.689 176.300 0.056 0.000 0.905 1216 R CA 0.749 56.885 56.100 0.059 0.000 1.067 1216 R CB 0.551 30.878 30.300 0.044 0.000 1.078 1216 R HN 0.221 nan 8.270 nan 0.000 0.516 1217 A N 0.409 123.276 122.820 0.078 0.000 2.545 1217 A HA 0.478 4.797 4.320 -0.002 0.000 0.263 1217 A C 0.590 178.220 177.584 0.077 0.000 1.202 1217 A CA 0.198 52.274 52.037 0.064 0.000 0.959 1217 A CB 0.595 19.627 19.000 0.054 0.000 1.124 1217 A HN 0.316 nan 8.150 nan 0.000 0.543 1218 G N -0.346 108.507 108.800 0.089 0.000 2.710 1218 G HA2 0.155 4.114 3.960 -0.002 0.000 0.668 1218 G HA3 0.155 4.114 3.960 -0.002 0.000 0.668 1218 G C 0.148 175.123 174.900 0.124 0.000 1.320 1218 G CA -0.101 45.044 45.100 0.075 0.000 0.860 1218 G HN 1.529 nan 8.290 nan 0.000 0.538 1219 T N -1.789 112.809 114.554 0.074 0.000 2.748 1219 T HA 0.537 4.887 4.350 -0.002 0.000 0.304 1219 T C 1.821 176.632 174.700 0.186 0.000 1.041 1219 T CA 0.912 63.065 62.100 0.089 0.000 1.033 1219 T CB 1.057 69.933 68.868 0.013 0.000 0.995 1219 T HN 1.359 nan 8.240 nan 0.000 0.536 1220 S N -0.044 115.808 115.700 0.253 0.000 2.359 1220 S HA -0.152 4.317 4.470 -0.002 0.000 0.224 1220 S C 1.916 176.576 174.600 0.101 0.000 1.035 1220 S CA 1.541 59.864 58.200 0.206 0.000 1.018 1220 S CB -0.604 62.718 63.200 0.204 0.000 0.876 1220 S HN 0.904 nan 8.310 nan 0.000 0.448 1221 E N 1.032 121.277 120.200 0.075 0.000 2.077 1221 E HA -0.222 4.127 4.350 -0.002 0.000 0.193 1221 E C 2.110 178.733 176.600 0.038 0.000 0.989 1221 E CA 1.122 57.549 56.400 0.044 0.000 0.800 1221 E CB -0.117 29.601 29.700 0.030 0.000 0.746 1221 E HN 0.579 nan 8.360 nan 0.000 0.452 1222 Q N -0.036 119.790 119.800 0.042 0.000 2.124 1222 Q HA -0.189 4.150 4.340 -0.002 0.000 0.202 1222 Q C 2.310 178.331 176.000 0.036 0.000 0.977 1222 Q CA 1.489 57.313 55.803 0.034 0.000 0.850 1222 Q CB -0.039 28.719 28.738 0.033 0.000 0.901 1222 Q HN 0.403 nan 8.270 nan 0.000 0.429 1223 Q N -0.342 119.487 119.800 0.050 0.000 2.119 1223 Q HA -0.102 4.237 4.340 -0.002 0.000 0.201 1223 Q C 2.191 178.205 176.000 0.024 0.000 0.972 1223 Q CA 1.180 57.006 55.803 0.039 0.000 0.847 1223 Q CB -0.175 28.591 28.738 0.046 0.000 0.903 1223 Q HN 0.489 nan 8.270 nan 0.000 0.433 1224 G N 0.930 109.746 108.800 0.027 0.000 2.402 1224 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.216 1224 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.216 1224 G C 0.959 175.867 174.900 0.014 0.000 1.162 1224 G CA 1.156 46.266 45.100 0.017 0.000 0.777 1224 G HN 0.369 nan 8.290 nan 0.000 0.539 1225 D N -0.171 120.239 120.400 0.016 0.000 2.144 1225 D HA -0.103 4.536 4.640 -0.002 0.000 0.199 1225 D C 2.285 178.591 176.300 0.010 0.000 0.984 1225 D CA 0.671 54.678 54.000 0.012 0.000 0.834 1225 D CB -0.202 40.605 40.800 0.012 0.000 0.955 1225 D HN 0.164 nan 8.370 nan 0.000 0.465 1226 L N -0.032 121.198 121.223 0.012 0.000 2.093 1226 L HA -0.037 4.302 4.340 -0.002 0.000 0.208 1226 L C 2.260 179.134 176.870 0.007 0.000 1.085 1226 L CA 1.700 56.545 54.840 0.010 0.000 0.755 1226 L CB -1.073 40.993 42.059 0.012 0.000 0.904 1226 L HN 0.038 nan 8.230 nan 0.000 0.435 1227 S N -0.860 114.844 115.700 0.006 0.000 2.382 1227 S HA -0.205 4.264 4.470 -0.002 0.000 0.228 1227 S C 2.055 176.656 174.600 0.002 0.000 1.027 1227 S CA 1.435 59.637 58.200 0.003 0.000 0.991 1227 S CB -0.183 63.017 63.200 0.002 0.000 0.823 1227 S HN 0.538 nan 8.310 nan 0.000 0.469 1228 K N 0.353 120.756 120.400 0.004 0.000 2.057 1228 K HA 0.016 4.335 4.320 -0.002 0.000 0.206 1228 K C 2.373 178.974 176.600 0.002 0.000 1.050 1228 K CA 1.102 57.391 56.287 0.003 0.000 0.935 1228 K CB -0.155 32.347 32.500 0.003 0.000 0.715 1228 K HN 0.323 nan 8.250 nan 0.000 0.439 1229 R N 0.405 120.907 120.500 0.003 0.000 2.235 1229 R HA -0.040 4.299 4.340 -0.002 0.000 0.213 1229 R C 1.449 177.750 176.300 0.002 0.000 1.059 1229 R CA 1.405 57.507 56.100 0.003 0.000 0.997 1229 R CB -0.060 30.242 30.300 0.004 0.000 0.884 1229 R HN 0.254 nan 8.270 nan 0.000 0.462 1230 T N -1.367 113.188 114.554 0.002 0.000 3.243 1230 T HA 0.135 4.484 4.350 -0.002 0.000 0.264 1230 T C 1.203 175.903 174.700 0.000 0.000 1.000 1230 T CA -0.588 61.512 62.100 0.001 0.000 0.901 1230 T CB 0.228 69.097 68.868 0.001 0.000 1.083 1230 T HN 0.220 nan 8.240 nan 0.000 0.559 1231 K N 1.597 121.997 120.400 0.000 0.000 1.998 1231 K HA -0.230 4.089 4.320 -0.002 0.000 0.228 1231 K C 0.411 177.010 176.600 -0.001 0.000 1.053 1231 K CA 0.861 57.147 56.287 -0.001 0.000 0.988 1231 K CB -0.650 31.849 32.500 -0.000 0.000 0.735 1231 K HN 0.175 nan 8.250 nan 0.000 0.448 1232 K N 0.000 120.400 120.400 -0.001 0.000 2.780 1232 K HA 0.000 4.319 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