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_B DATA FIRST_RESID 2 DATA SEQUENCE GKKMMTTDGN TATAHVAYAM SEVAAIYPIT PSSTMGEEAD DWAAQGRKNI DATA SEQUENCE FGQTLTIREM QSEAGAAGAV HGALAAGALT TTFTASQGLL LMIPNMYKIS DATA SEQUENCE GELLPGVFHV TARAIAAHAL SIFGDHQDIY AARQTGFAML ASSSVQEAHD DATA SEQUENCE MALVAHLAAI ESNVPFMHFF DGFRTSHEIQ KIEVLDYADM ASLVNQKALA DATA SEQUENCE EFRAKSMNPE HPHVRGTAQN PDIYFQGREA ANPYYLKVPG IVAEYMQKVA DATA SEQUENCE SLTGRSYKLF DYVGAPDAER VIVSMGSSCE TIEEVINHLA AKGEKIGLIK DATA SEQUENCE VRLYRPFVSE AFFAALPASA KVITVLDRTK EPGAPGDPLY LDVCSAFVER DATA SEQUENCE GEAMPKILAG RYGLGSKEFS PAMVKSVYDN MSGAKKNHFT VGIEDDVTGT DATA SEQUENCE SLPVDNAFAD TTPKGTIQCQ FWGLGADGTV GANKQAIKII GDNTDLFAQG DATA SEQUENCE YFSYDSKKSG GITISHLRFG EKPIQSTYLV NRADYVACHN PAYVGIYDIL DATA SEQUENCE EGIKDGGTFV LNSPWSSLED MDKHLPSGIK RTIANKKLKF YNIDAVKIAT DATA SEQUENCE DVGLGGRINM IMQTAFFKLA GVLPFEKAVD LLKKSIHKAY GKKGEKIVKM DATA SEQUENCE NTDAVDQAVT SLQEFKYPDS WKDAPAETKA EPMTNEFFKN VVKPILTQQG DATA SEQUENCE DKLPVSAFEA DGRFPLGTSQ FEKRGVAINV PQWVPENCIQ CNQCAFVCPH DATA SEQUENCE SAILPVLAKE EELVGAPANF TALEAKGKEL KGYKFRIQIN TLDCMGCGNC DATA SEQUENCE ADICPPKEKA LVMQPLDTQR DAQVPNLEYA ARIPVKSEVL PRDSLKGSQF DATA SEQUENCE QEPLMEFSGA CSGCGETPYV RVITQLFGER MFIANATGCS SIWGASAPSM DATA SEQUENCE PYKTNRLGQG PAWGNSLFED AAEYGFGMNM SMFARRTHLA DLAAKALESD DATA SEQUENCE ASGDVKEALQ GWLAGKNDPI KSKEYGDKLK KLLAGQKDGL LGQIAAMSDL DATA SEQUENCE YTKKSVWIFG GDGWAYDIGY GGLDHVLASG EDVNVFVMDT EVYSNTGGQS DATA SEQUENCE SKATPTGAVA KFAAAGKRTG KKDLARMVMT YGYVYVATVS MGYSKQQFLK DATA SEQUENCE VLKEAESFPG PSLVIAYATC INQGLRKGMG KSQDVMNTAV KSGYWPLFRY DATA SEQUENCE DPRLAAQGKN PFQLDSKAPD GSVEEFLMAQ NRFAVLDRSF PEDAKRLRAQ DATA SEQUENCE VAHELDVRFK ELEHMAATNI FESFAPAGGK ADGSVDFGEG AEFcTRDDTP DATA SEQUENCE MMARPDSGEA cDQNRAGTSE QQGDLSKRTK K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 2 G C 0.000 174.893 174.900 -0.012 0.000 0.946 2 G CA 0.000 45.100 45.100 0.000 0.000 0.502 3 K N 1.076 121.467 120.400 -0.015 0.000 2.778 3 K HA 0.305 4.626 4.320 0.002 0.000 0.238 3 K C -0.470 176.110 176.600 -0.034 0.000 1.233 3 K CA -0.396 55.877 56.287 -0.023 0.000 1.195 3 K CB 0.813 33.306 32.500 -0.011 0.000 1.743 3 K HN 0.059 nan 8.250 nan 0.000 0.418 4 K N 2.574 122.947 120.400 -0.045 0.000 2.281 4 K HA 0.249 4.570 4.320 0.002 0.000 0.272 4 K C -0.226 176.335 176.600 -0.064 0.000 1.048 4 K CA -0.523 55.733 56.287 -0.051 0.000 0.898 4 K CB 0.738 33.209 32.500 -0.049 0.000 1.128 4 K HN 0.253 nan 8.250 nan 0.000 0.460 5 M N 4.586 124.147 119.600 -0.064 0.000 2.246 5 M HA 0.190 4.670 4.480 0.002 0.000 0.350 5 M C 0.057 176.319 176.300 -0.063 0.000 1.406 5 M CA 0.499 55.758 55.300 -0.069 0.000 1.089 5 M CB 0.042 32.589 32.600 -0.088 0.000 1.782 5 M HN 0.287 nan 8.290 nan 0.000 0.457 6 M N 2.133 121.696 119.600 -0.061 0.000 2.501 6 M HA 0.354 4.835 4.480 0.002 0.000 0.293 6 M C -0.171 176.112 176.300 -0.028 0.000 1.192 6 M CA -0.687 54.585 55.300 -0.047 0.000 0.886 6 M CB 2.272 34.833 32.600 -0.065 0.000 1.710 6 M HN 0.736 nan 8.290 nan 0.000 0.457 7 T N -0.711 113.841 114.554 -0.003 0.000 2.832 7 T HA 0.650 5.001 4.350 0.002 0.000 0.296 7 T C 0.042 174.751 174.700 0.015 0.000 0.968 7 T CA -0.374 61.736 62.100 0.018 0.000 1.107 7 T CB 1.461 70.354 68.868 0.042 0.000 0.916 7 T HN 0.775 nan 8.240 nan 0.000 0.517 8 T N 1.259 115.826 114.554 0.023 0.000 2.749 8 T HA 0.464 4.815 4.350 0.002 0.000 0.310 8 T C -1.951 172.775 174.700 0.042 0.000 1.496 8 T CA -0.701 61.415 62.100 0.027 0.000 1.006 8 T CB 1.639 70.511 68.868 0.007 0.000 1.457 8 T HN 0.925 nan 8.240 nan 0.000 0.497 9 D N -0.110 120.315 120.400 0.042 0.000 2.440 9 D HA 0.503 5.144 4.640 0.002 0.000 0.258 9 D C 1.582 177.899 176.300 0.030 0.000 1.092 9 D CA 0.070 54.102 54.000 0.054 0.000 1.016 9 D CB 0.275 41.102 40.800 0.045 0.000 1.141 9 D HN 0.667 nan 8.370 nan 0.000 0.552 10 G N 0.003 108.829 108.800 0.044 0.000 2.469 10 G HA2 -0.337 3.624 3.960 0.002 0.000 0.219 10 G HA3 -0.337 3.624 3.960 0.002 0.000 0.219 10 G C 1.299 176.116 174.900 -0.138 0.000 1.150 10 G CA 0.600 45.653 45.100 -0.078 0.000 0.763 10 G HN 0.500 nan 8.290 nan 0.000 0.561 11 N N 0.314 119.051 118.700 0.062 0.000 2.084 11 N HA -0.092 4.649 4.740 0.002 0.000 0.190 11 N C 2.440 177.975 175.510 0.042 0.000 1.030 11 N CA 1.772 54.889 53.050 0.112 0.000 0.849 11 N CB -0.758 37.743 38.487 0.023 0.000 1.012 11 N HN 0.250 nan 8.380 nan 0.000 0.423 12 T N 1.151 115.725 114.554 0.033 0.000 2.788 12 T HA -0.030 4.321 4.350 0.002 0.000 0.268 12 T C 1.975 176.788 174.700 0.189 0.000 1.044 12 T CA 1.249 63.422 62.100 0.121 0.000 1.139 12 T CB -0.328 68.608 68.868 0.114 0.000 0.867 12 T HN 0.325 nan 8.240 nan 0.000 0.454 13 A N 1.367 124.246 122.820 0.098 0.000 1.940 13 A HA -0.137 4.184 4.320 0.002 0.000 0.219 13 A C 2.538 180.223 177.584 0.169 0.000 1.176 13 A CA 2.066 54.174 52.037 0.119 0.000 0.631 13 A CB -1.148 17.884 19.000 0.052 0.000 0.814 13 A HN 0.479 nan 8.150 nan 0.000 0.446 14 T N -0.043 114.553 114.554 0.069 0.000 2.809 14 T HA 0.110 4.461 4.350 0.002 0.000 0.260 14 T C 2.282 177.050 174.700 0.114 0.000 1.039 14 T CA 1.303 63.438 62.100 0.059 0.000 1.141 14 T CB -0.437 68.474 68.868 0.073 0.000 0.869 14 T HN 0.574 nan 8.240 nan 0.000 0.437 15 A N 1.255 124.181 122.820 0.177 0.000 1.940 15 A HA -0.198 4.123 4.320 0.002 0.000 0.219 15 A C 1.953 179.866 177.584 0.549 0.000 1.176 15 A CA 2.334 54.522 52.037 0.250 0.000 0.631 15 A CB -1.025 17.980 19.000 0.008 0.000 0.814 15 A HN 0.696 nan 8.150 nan 0.000 0.446 16 H N -0.195 119.145 119.070 0.449 0.000 2.321 16 H HA -0.146 4.411 4.556 0.001 0.000 0.295 16 H C 1.782 177.257 175.328 0.245 0.000 1.102 16 H CA 2.508 58.767 56.048 0.352 0.000 1.266 16 H CB -0.203 29.708 29.762 0.249 0.000 1.363 16 H HN 0.154 nan 8.280 nan 0.000 0.492 17 V N 0.563 120.562 119.914 0.141 0.000 2.323 17 V HA -0.168 3.953 4.120 0.002 0.000 0.244 17 V C 2.798 178.766 176.094 -0.209 0.000 1.041 17 V CA 1.478 63.701 62.300 -0.129 0.000 1.025 17 V CB -1.283 30.447 31.823 -0.155 0.000 0.656 17 V HN 0.706 nan 8.190 nan 0.000 0.451 18 A N -0.764 122.036 122.820 -0.034 0.000 1.917 18 A HA -0.318 4.003 4.320 0.002 0.000 0.219 18 A C 2.173 179.794 177.584 0.062 0.000 1.182 18 A CA 2.386 54.458 52.037 0.057 0.000 0.633 18 A CB -0.890 18.328 19.000 0.365 0.000 0.819 18 A HN 0.642 nan 8.150 nan 0.000 0.448 19 Y N 0.335 120.710 120.300 0.125 0.000 2.145 19 Y HA -0.127 4.423 4.550 0.002 0.000 0.286 19 Y C 2.730 178.571 175.900 -0.098 0.000 1.145 19 Y CA 1.621 59.820 58.100 0.164 0.000 1.148 19 Y CB -0.416 38.297 38.460 0.422 0.000 0.981 19 Y HN 0.327 nan 8.280 nan 0.000 0.507 20 A N -0.102 122.540 122.820 -0.295 0.000 1.902 20 A HA -0.184 4.137 4.320 0.002 0.000 0.217 20 A C 1.932 179.205 177.584 -0.519 0.000 1.181 20 A CA 1.957 53.522 52.037 -0.787 0.000 0.623 20 A CB -0.532 17.407 19.000 -1.767 0.000 0.818 20 A HN 0.483 nan 8.150 nan 0.000 0.443 21 M N 0.227 119.527 119.600 -0.501 0.000 2.561 21 M HA 0.193 4.674 4.480 0.002 0.000 0.238 21 M C -0.074 176.109 176.300 -0.195 0.000 1.131 21 M CA 0.333 55.370 55.300 -0.438 0.000 1.046 21 M CB -0.851 31.308 32.600 -0.736 0.000 1.532 21 M HN 0.181 nan 8.290 nan 0.000 0.497 22 S N -0.204 115.417 115.700 -0.131 0.000 2.600 22 S HA 0.427 4.898 4.470 0.002 0.000 0.300 22 S C 0.692 175.309 174.600 0.029 0.000 1.087 22 S CA -0.731 57.478 58.200 0.015 0.000 0.965 22 S CB 2.567 65.790 63.200 0.038 0.000 1.089 22 S HN 0.235 nan 8.310 nan 0.000 0.496 23 E N 0.020 120.260 120.200 0.066 0.000 2.330 23 E HA 0.234 4.585 4.350 0.002 0.000 0.200 23 E C -0.439 176.166 176.600 0.008 0.000 0.922 23 E CA 0.318 56.739 56.400 0.036 0.000 0.935 23 E CB 0.648 30.351 29.700 0.004 0.000 0.917 23 E HN 0.260 nan 8.360 nan 0.000 0.491 24 V N 0.648 120.579 119.914 0.027 0.000 2.876 24 V HA 0.720 4.841 4.120 0.002 0.000 0.312 24 V C -1.200 174.915 176.094 0.035 0.000 1.085 24 V CA -0.924 61.394 62.300 0.030 0.000 0.945 24 V CB 1.911 33.757 31.823 0.038 0.000 1.017 24 V HN 0.144 nan 8.190 nan 0.000 0.428 25 A N 2.634 125.476 122.820 0.037 0.000 2.427 25 A HA 0.934 5.255 4.320 0.002 0.000 0.298 25 A C -0.627 176.968 177.584 0.018 0.000 1.036 25 A CA -0.170 51.885 52.037 0.030 0.000 0.701 25 A CB 1.720 20.780 19.000 0.099 0.000 1.250 25 A HN 1.531 nan 8.150 nan 0.000 0.412 26 A N 3.058 125.870 122.820 -0.013 0.000 2.287 26 A HA 0.761 5.082 4.320 0.002 0.000 0.317 26 A C -0.094 177.469 177.584 -0.035 0.000 1.220 26 A CA -0.443 51.582 52.037 -0.020 0.000 0.835 26 A CB 0.033 19.027 19.000 -0.011 0.000 1.180 26 A HN 1.615 nan 8.150 nan 0.000 0.500 27 I N -1.135 119.408 120.570 -0.044 0.000 3.108 27 I HA 0.901 5.072 4.170 0.002 0.000 0.312 27 I C -1.298 174.837 176.117 0.029 0.000 1.095 27 I CA -1.183 60.102 61.300 -0.025 0.000 1.000 27 I CB 2.273 40.233 38.000 -0.067 0.000 1.229 27 I HN 0.578 nan 8.210 nan 0.000 0.454 28 Y N 2.359 122.620 120.300 -0.065 0.000 2.480 28 Y HA 0.504 5.055 4.550 0.002 0.000 0.329 28 Y C -2.871 173.091 175.900 0.103 0.000 1.127 28 Y CA -1.598 56.514 58.100 0.019 0.000 1.037 28 Y CB 2.380 40.876 38.460 0.060 0.000 1.320 28 Y HN 0.459 nan 8.280 nan 0.000 0.446 29 P HA 0.471 nan 4.420 nan 0.000 0.280 29 P C -1.075 176.227 177.300 0.004 0.000 1.244 29 P CA 0.028 63.115 63.100 -0.021 0.000 0.784 29 P CB 2.056 33.795 31.700 0.065 0.000 0.913 30 I N 1.165 121.759 120.570 0.039 0.000 2.715 30 I HA 0.144 4.315 4.170 0.002 0.000 0.288 30 I C -0.674 175.432 176.117 -0.017 0.000 1.371 30 I CA -0.306 61.003 61.300 0.015 0.000 1.056 30 I CB 2.075 40.115 38.000 0.066 0.000 1.339 30 I HN 0.163 nan 8.210 nan 0.000 0.425 31 T N 8.863 123.386 114.554 -0.052 0.000 2.928 31 T HA 0.220 4.571 4.350 0.002 0.000 0.305 31 T C -2.122 172.515 174.700 -0.106 0.000 1.035 31 T CA -0.449 61.603 62.100 -0.079 0.000 1.145 31 T CB 0.588 69.416 68.868 -0.067 0.000 0.963 31 T HN 0.487 nan 8.240 nan 0.000 0.545 32 P HA 0.182 nan 4.420 nan 0.000 0.262 32 P C 0.728 177.970 177.300 -0.096 0.000 1.651 32 P CA -0.202 62.721 63.100 -0.294 0.000 1.119 32 P CB 0.105 31.251 31.700 -0.924 0.000 1.552 33 S N -2.069 113.598 115.700 -0.056 0.000 2.524 33 S HA 0.015 4.486 4.470 0.002 0.000 0.216 33 S C 1.789 176.390 174.600 0.003 0.000 0.987 33 S CA 0.320 58.521 58.200 0.002 0.000 0.909 33 S CB -0.823 62.407 63.200 0.051 0.000 0.781 33 S HN -0.022 nan 8.310 nan 0.000 0.521 34 S N 2.357 118.054 115.700 -0.004 0.000 2.389 34 S HA -0.173 4.298 4.470 0.002 0.000 0.231 34 S C 1.929 176.484 174.600 -0.074 0.000 1.052 34 S CA 2.088 60.288 58.200 0.001 0.000 1.053 34 S CB -1.184 62.011 63.200 -0.008 0.000 0.886 34 S HN 0.742 nan 8.310 nan 0.000 0.456 35 T N 2.511 116.990 114.554 -0.124 0.000 2.699 35 T HA -0.127 4.224 4.350 0.002 0.000 0.268 35 T C 1.779 176.303 174.700 -0.295 0.000 1.036 35 T CA 1.540 63.518 62.100 -0.202 0.000 1.147 35 T CB -0.386 68.354 68.868 -0.215 0.000 0.862 35 T HN 0.388 nan 8.240 nan 0.000 0.446 36 M N 0.629 120.027 119.600 -0.336 0.000 2.086 36 M HA -0.039 4.442 4.480 0.002 0.000 0.261 36 M C 2.834 178.609 176.300 -0.876 0.000 1.067 36 M CA 1.876 56.776 55.300 -0.667 0.000 1.116 36 M CB -0.882 31.216 32.600 -0.837 0.000 1.348 36 M HN 0.397 nan 8.290 nan 0.000 0.407 37 G N 0.147 108.597 108.800 -0.582 0.000 2.418 37 G HA2 -0.197 3.764 3.960 0.002 0.000 0.217 37 G HA3 -0.197 3.764 3.960 0.002 0.000 0.217 37 G C 1.324 176.283 174.900 0.099 0.000 1.158 37 G CA 0.800 45.844 45.100 -0.094 0.000 0.771 37 G HN 0.517 nan 8.290 nan 0.000 0.545 38 E N 0.330 120.485 120.200 -0.074 0.000 2.106 38 E HA -0.089 4.262 4.350 0.002 0.000 0.192 38 E C 2.398 178.764 176.600 -0.390 0.000 0.984 38 E CA 0.940 57.152 56.400 -0.313 0.000 0.806 38 E CB -0.080 29.375 29.700 -0.408 0.000 0.750 38 E HN 0.557 nan 8.360 nan 0.000 0.458 39 E N 0.676 120.544 120.200 -0.554 0.000 2.072 39 E HA -0.168 4.183 4.350 0.002 0.000 0.191 39 E C 2.121 178.020 176.600 -1.168 0.000 0.985 39 E CA 0.878 56.656 56.400 -1.036 0.000 0.801 39 E CB -0.104 28.852 29.700 -1.240 0.000 0.750 39 E HN 0.221 nan 8.360 nan 0.000 0.452 40 A N 1.302 123.767 122.820 -0.592 0.000 1.908 40 A HA -0.270 4.051 4.320 0.002 0.000 0.218 40 A C 1.865 179.556 177.584 0.179 0.000 1.181 40 A CA 2.057 54.104 52.037 0.017 0.000 0.627 40 A CB -0.534 18.620 19.000 0.258 0.000 0.818 40 A HN 0.246 nan 8.150 nan 0.000 0.445 41 D N -0.640 119.818 120.400 0.097 0.000 2.123 41 D HA -0.124 4.517 4.640 0.002 0.000 0.200 41 D C 1.307 177.653 176.300 0.075 0.000 0.976 41 D CA 1.317 55.422 54.000 0.175 0.000 0.831 41 D CB -0.057 40.927 40.800 0.307 0.000 0.974 41 D HN 0.348 nan 8.370 nan 0.000 0.469 42 D N -0.439 119.909 120.400 -0.087 0.000 2.117 42 D HA -0.132 4.509 4.640 0.002 0.000 0.198 42 D C 1.793 178.151 176.300 0.097 0.000 0.982 42 D CA 0.619 54.585 54.000 -0.057 0.000 0.828 42 D CB -0.307 40.395 40.800 -0.163 0.000 0.967 42 D HN 0.444 nan 8.370 nan 0.000 0.464 43 W N 1.553 122.833 121.300 -0.033 0.000 2.381 43 W HA 0.068 4.729 4.660 0.001 0.000 0.301 43 W C 2.549 179.046 176.519 -0.036 0.000 1.205 43 W CA 0.487 57.738 57.345 -0.156 0.000 1.285 43 W CB -1.284 27.886 29.460 -0.483 0.000 1.133 43 W HN -0.049 nan 8.180 nan 0.000 0.521 44 A N 0.574 123.632 122.820 0.398 0.000 1.902 44 A HA -0.011 4.310 4.320 0.002 0.000 0.217 44 A C 2.251 179.976 177.584 0.234 0.000 1.181 44 A CA 2.699 54.985 52.037 0.416 0.000 0.623 44 A CB -1.101 18.141 19.000 0.403 0.000 0.818 44 A HN 0.124 nan 8.150 nan 0.000 0.443 45 A N -0.685 122.238 122.820 0.173 0.000 1.972 45 A HA -0.190 4.131 4.320 0.002 0.000 0.219 45 A C 2.017 179.667 177.584 0.109 0.000 1.169 45 A CA 1.583 53.684 52.037 0.107 0.000 0.635 45 A CB -0.491 18.550 19.000 0.068 0.000 0.810 45 A HN 0.662 nan 8.150 nan 0.000 0.446 46 Q N -1.657 118.222 119.800 0.131 0.000 2.472 46 Q HA 0.232 4.573 4.340 0.002 0.000 0.208 46 Q C 1.081 177.137 176.000 0.094 0.000 0.958 46 Q CA 0.428 56.299 55.803 0.113 0.000 0.932 46 Q CB 0.025 28.830 28.738 0.112 0.000 1.007 46 Q HN 0.892 nan 8.270 nan 0.000 0.508 47 G N 1.926 110.798 108.800 0.120 0.000 2.132 47 G HA2 -0.319 3.642 3.960 0.002 0.000 0.228 47 G HA3 -0.319 3.642 3.960 0.002 0.000 0.228 47 G C -0.036 174.932 174.900 0.113 0.000 1.000 47 G CA 0.044 45.215 45.100 0.117 0.000 0.693 47 G HN 0.310 nan 8.290 nan 0.000 0.515 48 R N 0.336 120.894 120.500 0.098 0.000 2.570 48 R HA 0.359 4.700 4.340 0.002 0.000 0.277 48 R C 0.015 176.475 176.300 0.267 0.000 1.039 48 R CA 0.030 56.142 56.100 0.021 0.000 1.065 48 R CB 0.345 30.468 30.300 -0.296 0.000 0.964 48 R HN -0.006 nan 8.270 nan 0.000 0.428 49 K N 3.156 123.690 120.400 0.223 0.000 2.130 49 K HA 0.151 4.472 4.320 0.002 0.000 0.268 49 K C -0.093 176.767 176.600 0.434 0.000 0.983 49 K CA -0.785 55.681 56.287 0.298 0.000 0.893 49 K CB 1.276 33.877 32.500 0.168 0.000 1.066 49 K HN 0.725 nan 8.250 nan 0.000 0.450 50 N N 1.039 119.939 118.700 0.332 0.000 2.431 50 N HA 0.088 4.829 4.740 0.002 0.000 0.289 50 N C 1.247 176.774 175.510 0.028 0.000 1.277 50 N CA -0.429 52.723 53.050 0.169 0.000 0.972 50 N CB -0.096 38.398 38.487 0.012 0.000 1.143 50 N HN 0.621 nan 8.380 nan 0.000 0.578 51 I N -4.517 115.894 120.570 -0.265 0.000 2.850 51 I HA 0.011 4.182 4.170 0.002 0.000 0.266 51 I C 0.376 176.225 176.117 -0.446 0.000 1.257 51 I CA 1.189 62.246 61.300 -0.405 0.000 1.465 51 I CB -0.600 37.018 38.000 -0.637 0.000 1.091 51 I HN 0.205 nan 8.210 nan 0.000 0.467 52 F N 1.978 121.938 119.950 0.017 0.000 2.693 52 F HA 0.452 4.980 4.527 0.001 0.000 0.303 52 F C 1.870 177.694 175.800 0.040 0.000 1.097 52 F CA 0.334 58.348 58.000 0.024 0.000 1.330 52 F CB 0.326 39.335 39.000 0.016 0.000 1.067 52 F HN 0.251 nan 8.300 nan 0.000 0.565 53 G N 0.243 109.140 108.800 0.161 0.000 2.143 53 G HA2 -0.220 3.741 3.960 0.002 0.000 0.248 53 G HA3 -0.220 3.741 3.960 0.002 0.000 0.248 53 G C 0.014 175.004 174.900 0.151 0.000 0.991 53 G CA -0.190 44.992 45.100 0.137 0.000 0.689 53 G HN 0.263 nan 8.290 nan 0.000 0.522 54 Q N 0.314 120.226 119.800 0.185 0.000 2.348 54 Q HA 0.624 4.965 4.340 0.002 0.000 0.271 54 Q C 0.534 176.640 176.000 0.176 0.000 1.067 54 Q CA 0.085 55.983 55.803 0.159 0.000 0.839 54 Q CB 1.558 30.381 28.738 0.141 0.000 1.354 54 Q HN 0.594 nan 8.270 nan 0.000 0.447 55 T N -1.526 113.127 114.554 0.165 0.000 2.897 55 T HA 0.385 4.736 4.350 0.002 0.000 0.294 55 T C 0.327 175.104 174.700 0.129 0.000 1.004 55 T CA -0.798 61.434 62.100 0.221 0.000 1.106 55 T CB 0.514 69.504 68.868 0.202 0.000 0.949 55 T HN 0.411 nan 8.240 nan 0.000 0.520 56 L N 3.023 124.287 121.223 0.069 0.000 2.490 56 L HA 0.278 4.619 4.340 0.002 0.000 0.274 56 L C 0.399 177.298 176.870 0.047 0.000 1.201 56 L CA 0.674 55.462 54.840 -0.086 0.000 0.869 56 L CB 0.368 42.212 42.059 -0.358 0.000 1.123 56 L HN 0.866 nan 8.230 nan 0.000 0.484 57 T N 7.547 122.118 114.554 0.029 0.000 2.747 57 T HA 0.433 4.784 4.350 0.002 0.000 0.301 57 T C -0.218 174.512 174.700 0.050 0.000 0.952 57 T CA 0.054 62.181 62.100 0.046 0.000 0.983 57 T CB -0.191 68.695 68.868 0.029 0.000 0.930 57 T HN 0.542 nan 8.240 nan 0.000 0.494 58 I N 3.758 124.371 120.570 0.072 0.000 2.498 58 I HA 0.617 4.788 4.170 0.002 0.000 0.290 58 I C -1.089 175.051 176.117 0.040 0.000 1.032 58 I CA -0.885 60.458 61.300 0.071 0.000 1.073 58 I CB 1.063 39.142 38.000 0.133 0.000 1.251 58 I HN 0.332 nan 8.210 nan 0.000 0.426 59 R N 5.609 126.107 120.500 -0.002 0.000 2.744 59 R HA 0.394 4.735 4.340 0.002 0.000 0.279 59 R C -1.205 175.033 176.300 -0.103 0.000 0.977 59 R CA -0.802 55.278 56.100 -0.033 0.000 0.906 59 R CB 1.987 32.281 30.300 -0.010 0.000 1.197 59 R HN 0.671 nan 8.270 nan 0.000 0.463 60 E N 3.173 123.286 120.200 -0.145 0.000 2.174 60 E HA 0.251 4.602 4.350 0.002 0.000 0.282 60 E C -0.256 176.333 176.600 -0.019 0.000 0.992 60 E CA -0.504 55.778 56.400 -0.197 0.000 0.803 60 E CB 0.820 30.323 29.700 -0.328 0.000 1.090 60 E HN 0.210 nan 8.360 nan 0.000 0.396 61 M N 2.409 122.055 119.600 0.076 0.000 2.310 61 M HA 0.047 4.528 4.480 0.002 0.000 0.241 61 M C 1.102 177.531 176.300 0.215 0.000 1.162 61 M CA -0.183 55.178 55.300 0.101 0.000 0.958 61 M CB 0.370 32.996 32.600 0.042 0.000 1.348 61 M HN 0.613 nan 8.290 nan 0.000 0.541 62 Q N 0.668 120.520 119.800 0.087 0.000 2.424 62 Q HA 0.087 4.428 4.340 0.002 0.000 0.204 62 Q C -0.176 175.679 176.000 -0.242 0.000 0.933 62 Q CA 0.576 56.437 55.803 0.097 0.000 0.929 62 Q CB 0.320 29.081 28.738 0.039 0.000 1.037 62 Q HN 0.738 nan 8.270 nan 0.000 0.511 63 S N -1.477 113.851 115.700 -0.620 0.000 2.643 63 S HA 0.299 4.770 4.470 0.002 0.000 0.266 63 S C -0.289 173.907 174.600 -0.673 0.000 1.130 63 S CA -0.445 57.074 58.200 -1.135 0.000 0.817 63 S CB 0.681 63.572 63.200 -0.514 0.000 1.107 63 S HN -0.053 nan 8.310 nan 0.000 0.471 64 E N 0.742 120.667 120.200 -0.459 0.000 2.204 64 E HA 0.163 4.514 4.350 0.002 0.000 0.194 64 E C 2.087 178.612 176.600 -0.124 0.000 0.989 64 E CA 1.413 57.716 56.400 -0.161 0.000 0.824 64 E CB -0.439 29.223 29.700 -0.064 0.000 0.756 64 E HN 0.696 nan 8.360 nan 0.000 0.477 65 A N 0.471 123.211 122.820 -0.132 0.000 1.898 65 A HA -0.045 4.276 4.320 0.002 0.000 0.216 65 A C 2.393 179.945 177.584 -0.054 0.000 1.181 65 A CA 1.611 53.606 52.037 -0.071 0.000 0.620 65 A CB -1.054 17.903 19.000 -0.071 0.000 0.819 65 A HN 0.361 nan 8.150 nan 0.000 0.442 66 G N -0.589 108.158 108.800 -0.089 0.000 2.408 66 G HA2 0.061 4.022 3.960 0.002 0.000 0.217 66 G HA3 0.061 4.022 3.960 0.002 0.000 0.217 66 G C 1.719 176.602 174.900 -0.028 0.000 1.150 66 G CA 1.305 46.374 45.100 -0.051 0.000 0.776 66 G HN 0.746 nan 8.290 nan 0.000 0.542 67 A N 1.263 124.055 122.820 -0.046 0.000 1.902 67 A HA 0.270 4.591 4.320 0.002 0.000 0.217 67 A C 2.810 180.380 177.584 -0.023 0.000 1.181 67 A CA 2.248 54.267 52.037 -0.031 0.000 0.623 67 A CB -0.803 18.174 19.000 -0.039 0.000 0.818 67 A HN 0.750 nan 8.150 nan 0.000 0.443 68 A N -0.534 122.273 122.820 -0.023 0.000 1.933 68 A HA 0.141 4.462 4.320 0.002 0.000 0.218 68 A C 2.389 180.053 177.584 0.134 0.000 1.175 68 A CA 1.877 53.948 52.037 0.056 0.000 0.628 68 A CB -1.324 17.720 19.000 0.073 0.000 0.814 68 A HN 0.716 nan 8.150 nan 0.000 0.444 69 G N -0.520 108.338 108.800 0.096 0.000 2.418 69 G HA2 0.020 3.981 3.960 0.002 0.000 0.217 69 G HA3 0.020 3.981 3.960 0.002 0.000 0.217 69 G C 1.719 176.681 174.900 0.103 0.000 1.158 69 G CA 1.357 46.530 45.100 0.121 0.000 0.771 69 G HN 0.775 nan 8.290 nan 0.000 0.545 70 A N 0.051 122.907 122.820 0.062 0.000 1.930 70 A HA 0.140 4.461 4.320 0.002 0.000 0.217 70 A C 2.580 180.209 177.584 0.074 0.000 1.175 70 A CA 1.636 53.699 52.037 0.044 0.000 0.627 70 A CB -0.518 18.495 19.000 0.022 0.000 0.815 70 A HN 0.236 nan 8.150 nan 0.000 0.443 71 V N -0.339 119.639 119.914 0.106 0.000 2.343 71 V HA -0.303 3.818 4.120 0.002 0.000 0.247 71 V C 2.430 178.658 176.094 0.224 0.000 1.051 71 V CA 2.245 64.635 62.300 0.151 0.000 1.036 71 V CB -1.016 30.918 31.823 0.185 0.000 0.654 71 V HN 0.847 nan 8.190 nan 0.000 0.451 72 H N 0.141 119.287 119.070 0.126 0.000 2.319 72 H HA -0.157 4.400 4.556 0.002 0.000 0.299 72 H C 2.276 177.657 175.328 0.087 0.000 1.092 72 H CA 1.479 57.597 56.048 0.118 0.000 1.302 72 H CB -0.184 29.645 29.762 0.112 0.000 1.373 72 H HN 0.452 nan 8.280 nan 0.000 0.497 73 G N 0.011 108.790 108.800 -0.034 0.000 2.422 73 G HA2 -0.244 3.717 3.960 0.002 0.000 0.218 73 G HA3 -0.244 3.717 3.960 0.002 0.000 0.218 73 G C 1.862 176.751 174.900 -0.018 0.000 1.146 73 G CA 0.740 45.771 45.100 -0.115 0.000 0.769 73 G HN 0.569 nan 8.290 nan 0.000 0.547 74 A N 0.493 123.337 122.820 0.041 0.000 1.898 74 A HA 0.142 4.462 4.320 0.002 0.000 0.216 74 A C 2.428 180.078 177.584 0.110 0.000 1.181 74 A CA 1.162 53.234 52.037 0.058 0.000 0.620 74 A CB -0.380 18.661 19.000 0.069 0.000 0.819 74 A HN 0.345 nan 8.150 nan 0.000 0.442 75 L N -0.784 120.541 121.223 0.170 0.000 2.056 75 L HA -0.166 4.175 4.340 0.002 0.000 0.207 75 L C 3.070 180.091 176.870 0.251 0.000 1.078 75 L CA 1.008 56.016 54.840 0.279 0.000 0.749 75 L CB -0.479 41.727 42.059 0.244 0.000 0.901 75 L HN 0.427 nan 8.230 nan 0.000 0.433 76 A N -0.076 122.831 122.820 0.145 0.000 1.972 76 A HA -0.080 4.241 4.320 0.002 0.000 0.219 76 A C 2.120 179.696 177.584 -0.014 0.000 1.169 76 A CA 1.578 53.656 52.037 0.068 0.000 0.635 76 A CB -0.523 18.457 19.000 -0.032 0.000 0.810 76 A HN 0.381 nan 8.150 nan 0.000 0.446 77 A N -1.541 121.261 122.820 -0.029 0.000 2.411 77 A HA 0.458 4.779 4.320 0.002 0.000 0.251 77 A C 1.494 178.996 177.584 -0.137 0.000 1.317 77 A CA 0.872 52.862 52.037 -0.077 0.000 0.904 77 A CB -1.163 17.802 19.000 -0.059 0.000 0.993 77 A HN 1.848 nan 8.150 nan 0.000 0.504 78 G N -1.864 106.794 108.800 -0.237 0.000 2.143 78 G HA2 0.105 4.066 3.960 0.002 0.000 0.248 78 G HA3 0.105 4.066 3.960 0.002 0.000 0.248 78 G C 0.268 175.046 174.900 -0.204 0.000 0.991 78 G CA 0.303 45.062 45.100 -0.567 0.000 0.689 78 G HN 1.702 nan 8.290 nan 0.000 0.522 79 A N 0.065 122.963 122.820 0.131 0.000 2.330 79 A HA 0.799 5.120 4.320 0.002 0.000 0.327 79 A C 0.447 178.221 177.584 0.316 0.000 1.155 79 A CA -0.665 51.481 52.037 0.182 0.000 0.803 79 A CB 0.880 19.919 19.000 0.066 0.000 1.208 79 A HN 0.749 nan 8.150 nan 0.000 0.477 80 L N 2.350 123.714 121.223 0.235 0.000 2.462 80 L HA 0.268 4.609 4.340 0.002 0.000 0.272 80 L C 0.158 177.091 176.870 0.106 0.000 1.166 80 L CA 0.405 55.312 54.840 0.112 0.000 0.880 80 L CB 0.382 42.514 42.059 0.121 0.000 1.142 80 L HN 0.755 nan 8.230 nan 0.000 0.473 81 T N 1.217 115.825 114.554 0.090 0.000 2.900 81 T HA 0.541 4.892 4.350 0.002 0.000 0.295 81 T C -0.317 174.445 174.700 0.103 0.000 1.044 81 T CA -0.520 61.638 62.100 0.096 0.000 0.995 81 T CB 2.426 71.359 68.868 0.108 0.000 1.072 81 T HN 0.601 nan 8.240 nan 0.000 0.473 82 T N 0.309 114.902 114.554 0.065 0.000 2.841 82 T HA 0.793 5.144 4.350 0.002 0.000 0.296 82 T C -1.363 173.207 174.700 -0.217 0.000 1.166 82 T CA -0.339 61.764 62.100 0.005 0.000 1.007 82 T CB 2.165 71.093 68.868 0.101 0.000 1.253 82 T HN 0.752 nan 8.240 nan 0.000 0.511 83 T N 0.878 115.170 114.554 -0.437 0.000 2.769 83 T HA 0.726 5.077 4.350 0.002 0.000 0.306 83 T C -2.080 172.156 174.700 -0.772 0.000 1.400 83 T CA -0.508 61.217 62.100 -0.625 0.000 1.007 83 T CB 0.758 69.338 68.868 -0.479 0.000 1.392 83 T HN 0.412 nan 8.240 nan 0.000 0.500 84 F N 1.256 121.216 119.950 0.017 0.000 2.529 84 F HA 0.758 5.286 4.527 0.002 0.000 0.320 84 F C 0.609 176.402 175.800 -0.012 0.000 1.118 84 F CA -0.600 57.441 58.000 0.068 0.000 0.915 84 F CB 2.471 41.542 39.000 0.119 0.000 1.161 84 F HN 0.621 nan 8.300 nan 0.000 0.445 85 T N 0.975 115.599 114.554 0.117 0.000 2.653 85 T HA 0.891 5.242 4.350 0.002 0.000 0.306 85 T C -1.865 172.836 174.700 0.000 0.000 1.426 85 T CA -0.156 61.967 62.100 0.037 0.000 1.008 85 T CB 1.493 70.328 68.868 -0.056 0.000 1.692 85 T HN 1.227 nan 8.240 nan 0.000 0.483 86 A N 0.161 122.972 122.820 -0.015 0.000 2.522 86 A HA 0.753 5.074 4.320 0.002 0.000 0.291 86 A C 0.572 178.139 177.584 -0.028 0.000 1.039 86 A CA 0.711 52.723 52.037 -0.042 0.000 0.643 86 A CB 0.289 19.254 19.000 -0.058 0.000 1.310 86 A HN 2.092 nan 8.150 nan 0.000 0.436 87 S N -0.710 114.967 115.700 -0.039 0.000 4.106 87 S HA -0.364 4.107 4.470 0.002 0.000 0.541 87 S C 1.694 176.287 174.600 -0.012 0.000 1.846 87 S CA 2.468 60.653 58.200 -0.025 0.000 4.137 87 S CB -1.079 62.111 63.200 -0.017 0.000 0.892 87 S HN 1.322 nan 8.310 nan 0.000 0.535 88 Q N 0.971 120.774 119.800 0.004 0.000 2.197 88 Q HA -0.088 4.253 4.340 0.002 0.000 0.207 88 Q C 2.358 178.375 176.000 0.028 0.000 0.984 88 Q CA 2.105 57.921 55.803 0.021 0.000 0.869 88 Q CB -1.422 27.344 28.738 0.046 0.000 0.906 88 Q HN 0.821 nan 8.270 nan 0.000 0.426 89 G N 1.084 109.907 108.800 0.038 0.000 2.404 89 G HA2 -0.210 3.751 3.960 0.002 0.000 0.215 89 G HA3 -0.210 3.751 3.960 0.002 0.000 0.215 89 G C 1.489 176.383 174.900 -0.010 0.000 1.174 89 G CA 0.706 45.830 45.100 0.039 0.000 0.780 89 G HN 0.330 nan 8.290 nan 0.000 0.537 90 L N 0.672 121.881 121.223 -0.024 0.000 2.083 90 L HA 0.073 4.414 4.340 0.002 0.000 0.209 90 L C 2.697 179.548 176.870 -0.033 0.000 1.083 90 L CA 1.271 56.087 54.840 -0.040 0.000 0.752 90 L CB -0.386 41.641 42.059 -0.052 0.000 0.899 90 L HN 0.206 nan 8.230 nan 0.000 0.433 91 L N -1.249 119.960 121.223 -0.024 0.000 2.042 91 L HA -0.254 4.087 4.340 0.002 0.000 0.210 91 L C 2.401 179.266 176.870 -0.009 0.000 1.076 91 L CA 1.228 56.058 54.840 -0.016 0.000 0.749 91 L CB -0.640 41.414 42.059 -0.008 0.000 0.893 91 L HN 0.307 nan 8.230 nan 0.000 0.432 92 L N -0.930 120.285 121.223 -0.013 0.000 2.362 92 L HA -0.137 4.204 4.340 0.002 0.000 0.219 92 L C 2.288 179.151 176.870 -0.011 0.000 1.134 92 L CA 0.821 55.650 54.840 -0.018 0.000 0.807 92 L CB -0.273 41.763 42.059 -0.039 0.000 0.927 92 L HN 0.399 nan 8.230 nan 0.000 0.447 93 M N -1.085 118.511 119.600 -0.008 0.000 2.502 93 M HA -0.001 4.480 4.480 0.002 0.000 0.243 93 M C 2.042 178.366 176.300 0.041 0.000 1.130 93 M CA 0.651 55.966 55.300 0.025 0.000 1.055 93 M CB 0.157 32.773 32.600 0.026 0.000 1.457 93 M HN 0.191 nan 8.290 nan 0.000 0.488 94 I N 1.105 121.683 120.570 0.013 0.000 2.151 94 I HA -0.247 3.924 4.170 0.002 0.000 0.243 94 I C -0.608 175.592 176.117 0.138 0.000 1.080 94 I CA 1.809 63.117 61.300 0.014 0.000 1.339 94 I CB -1.659 36.365 38.000 0.039 0.000 1.039 94 I HN 0.154 nan 8.210 nan 0.000 0.409 95 P HA -0.147 nan 4.420 nan 0.000 0.215 95 P C 1.252 178.656 177.300 0.173 0.000 1.157 95 P CA 1.456 64.661 63.100 0.175 0.000 0.868 95 P CB -0.104 31.644 31.700 0.079 0.000 0.788 96 N N -1.351 117.420 118.700 0.119 0.000 2.309 96 N HA -0.035 4.706 4.740 0.002 0.000 0.182 96 N C 1.631 177.193 175.510 0.086 0.000 1.018 96 N CA 0.984 54.093 53.050 0.098 0.000 0.876 96 N CB -0.327 38.244 38.487 0.139 0.000 0.972 96 N HN 0.206 nan 8.380 nan 0.000 0.434 97 M N -0.627 119.009 119.600 0.060 0.000 2.159 97 M HA -0.184 4.297 4.480 0.002 0.000 0.263 97 M C 1.562 177.910 176.300 0.080 0.000 1.063 97 M CA 1.438 56.713 55.300 -0.042 0.000 1.110 97 M CB -0.416 31.890 32.600 -0.490 0.000 1.374 97 M HN 0.129 nan 8.290 nan 0.000 0.411 98 Y N 0.388 120.704 120.300 0.027 0.000 2.224 98 Y HA -0.186 4.365 4.550 0.002 0.000 0.289 98 Y C 2.536 178.438 175.900 0.003 0.000 1.146 98 Y CA 1.138 59.257 58.100 0.032 0.000 1.182 98 Y CB -0.215 38.254 38.460 0.014 0.000 0.983 98 Y HN 0.059 nan 8.280 nan 0.000 0.524 99 K N 0.192 120.652 120.400 0.101 0.000 2.062 99 K HA -0.090 4.231 4.320 0.002 0.000 0.205 99 K C 1.977 178.454 176.600 -0.205 0.000 1.051 99 K CA 1.196 57.426 56.287 -0.095 0.000 0.941 99 K CB -0.481 31.855 32.500 -0.272 0.000 0.719 99 K HN 0.385 nan 8.250 nan 0.000 0.440 100 I N 1.365 121.835 120.570 -0.167 0.000 2.252 100 I HA -0.270 3.901 4.170 0.002 0.000 0.245 100 I C 2.472 178.520 176.117 -0.115 0.000 1.102 100 I CA 1.399 62.628 61.300 -0.118 0.000 1.385 100 I CB -0.310 37.708 38.000 0.031 0.000 1.064 100 I HN 0.138 nan 8.210 nan 0.000 0.414 101 S N 0.644 116.311 115.700 -0.055 0.000 2.395 101 S HA -0.023 4.448 4.470 0.002 0.000 0.225 101 S C 2.200 176.803 174.600 0.005 0.000 1.027 101 S CA 0.734 58.883 58.200 -0.084 0.000 0.965 101 S CB -1.105 62.113 63.200 0.029 0.000 0.812 101 S HN 0.434 nan 8.310 nan 0.000 0.482 102 G N 1.368 110.193 108.800 0.042 0.000 2.462 102 G HA2 -0.122 3.839 3.960 0.002 0.000 0.220 102 G HA3 -0.122 3.839 3.960 0.002 0.000 0.220 102 G C 1.213 176.118 174.900 0.009 0.000 1.121 102 G CA 0.665 45.795 45.100 0.049 0.000 0.758 102 G HN 0.663 nan 8.290 nan 0.000 0.559 103 E N -0.185 120.007 120.200 -0.014 0.000 2.444 103 E HA 0.332 4.683 4.350 0.002 0.000 0.191 103 E C 0.259 176.821 176.600 -0.065 0.000 1.041 103 E CA -0.473 55.920 56.400 -0.012 0.000 0.883 103 E CB 0.063 29.796 29.700 0.056 0.000 1.024 103 E HN 0.270 nan 8.360 nan 0.000 0.470 104 L N 1.516 122.668 121.223 -0.119 0.000 3.823 104 L HA -0.240 4.101 4.340 0.002 0.000 0.525 104 L C -0.709 176.070 176.870 -0.152 0.000 1.247 104 L CA 0.318 55.033 54.840 -0.208 0.000 0.776 104 L CB -1.411 40.425 42.059 -0.371 0.000 1.443 104 L HN 0.296 nan 8.230 nan 0.000 0.831 105 L N 2.430 123.574 121.223 -0.132 0.000 2.317 105 L HA 0.434 4.775 4.340 0.002 0.000 0.281 105 L C -1.351 175.390 176.870 -0.215 0.000 1.024 105 L CA -1.682 53.110 54.840 -0.080 0.000 0.810 105 L CB 1.505 43.583 42.059 0.031 0.000 1.240 105 L HN -0.060 nan 8.230 nan 0.000 0.427 106 P HA 0.042 nan 4.420 nan 0.000 0.249 106 P C 0.315 177.439 177.300 -0.292 0.000 1.686 106 P CA 0.007 62.894 63.100 -0.354 0.000 0.873 106 P CB -0.076 31.306 31.700 -0.531 0.000 1.828 107 G N -0.146 108.509 108.800 -0.243 0.000 2.539 107 G HA2 0.420 4.381 3.960 0.002 0.000 0.258 107 G HA3 0.420 4.381 3.960 0.002 0.000 0.258 107 G C -0.844 173.954 174.900 -0.170 0.000 1.202 107 G CA -0.213 44.809 45.100 -0.129 0.000 0.851 107 G HN 0.128 nan 8.290 nan 0.000 0.556 108 V N 1.594 121.474 119.914 -0.057 0.000 2.569 108 V HA 0.369 4.490 4.120 0.002 0.000 0.301 108 V C -0.765 175.394 176.094 0.108 0.000 1.044 108 V CA -0.581 61.626 62.300 -0.155 0.000 0.874 108 V CB 1.286 32.704 31.823 -0.675 0.000 1.002 108 V HN 0.664 nan 8.190 nan 0.000 0.424 109 F N 3.011 122.895 119.950 -0.111 0.000 2.420 109 F HA 0.530 5.059 4.527 0.002 0.000 0.342 109 F C 0.335 176.019 175.800 -0.193 0.000 1.113 109 F CA -0.749 57.191 58.000 -0.101 0.000 1.059 109 F CB 1.494 40.497 39.000 0.005 0.000 1.128 109 F HN 0.544 nan 8.300 nan 0.000 0.475 110 H N 1.948 121.183 119.070 0.274 0.000 2.541 110 H HA 0.446 5.003 4.556 0.002 0.000 0.316 110 H C -0.832 174.626 175.328 0.217 0.000 1.043 110 H CA -0.520 55.745 56.048 0.360 0.000 1.232 110 H CB 1.562 31.672 29.762 0.580 0.000 1.406 110 H HN 0.221 nan 8.280 nan 0.000 0.469 111 V N 3.322 123.323 119.914 0.145 0.000 2.448 111 V HA 0.227 4.348 4.120 0.002 0.000 0.295 111 V C 0.110 175.974 176.094 -0.384 0.000 1.025 111 V CA -0.961 61.311 62.300 -0.047 0.000 0.859 111 V CB 1.816 33.633 31.823 -0.010 0.000 0.988 111 V HN 0.915 nan 8.190 nan 0.000 0.431 112 T N 2.060 116.364 114.554 -0.416 0.000 2.875 112 T HA 0.615 4.966 4.350 0.002 0.000 0.307 112 T C 0.309 174.859 174.700 -0.251 0.000 1.013 112 T CA -0.201 61.549 62.100 -0.583 0.000 0.970 112 T CB 0.798 69.429 68.868 -0.395 0.000 0.986 112 T HN 0.997 nan 8.240 nan 0.000 0.536 113 A N 4.305 127.027 122.820 -0.164 0.000 2.553 113 A HA 0.357 4.678 4.320 0.002 0.000 0.258 113 A C 0.692 178.277 177.584 0.002 0.000 1.069 113 A CA -0.173 51.836 52.037 -0.047 0.000 0.767 113 A CB -0.184 18.873 19.000 0.096 0.000 0.997 113 A HN 0.972 nan 8.150 nan 0.000 0.512 114 R N 2.658 123.148 120.500 -0.018 0.000 2.744 114 R HA 0.627 4.968 4.340 0.002 0.000 0.279 114 R C -0.037 176.270 176.300 0.011 0.000 0.977 114 R CA -0.242 55.868 56.100 0.017 0.000 0.906 114 R CB 1.551 31.849 30.300 -0.004 0.000 1.197 114 R HN 0.931 nan 8.270 nan 0.000 0.463 115 A N 4.149 126.992 122.820 0.037 0.000 2.555 115 A HA 0.182 4.503 4.320 0.002 0.000 0.233 115 A C 0.169 177.758 177.584 0.009 0.000 1.060 115 A CA 0.033 52.086 52.037 0.027 0.000 0.759 115 A CB 0.087 19.119 19.000 0.053 0.000 0.995 115 A HN 0.527 nan 8.150 nan 0.000 0.506 116 I N 0.999 121.573 120.570 0.006 0.000 2.428 116 I HA 0.360 4.530 4.170 0.002 0.000 0.296 116 I C 0.960 177.071 176.117 -0.010 0.000 0.985 116 I CA -0.232 61.067 61.300 -0.002 0.000 1.260 116 I CB 1.150 39.151 38.000 0.002 0.000 1.389 116 I HN 0.723 nan 8.210 nan 0.000 0.484 117 A N 4.864 127.670 122.820 -0.024 0.000 2.396 117 A HA 0.600 4.921 4.320 0.002 0.000 0.279 117 A C 0.463 178.021 177.584 -0.043 0.000 1.165 117 A CA 0.347 52.353 52.037 -0.050 0.000 0.824 117 A CB 0.180 19.148 19.000 -0.052 0.000 1.100 117 A HN 0.969 nan 8.150 nan 0.000 0.516 118 A N 2.182 124.971 122.820 -0.052 0.000 2.085 118 A HA 0.352 4.673 4.320 0.002 0.000 0.202 118 A C 1.634 179.220 177.584 0.004 0.000 2.124 118 A CA 0.537 52.580 52.037 0.010 0.000 1.584 118 A CB -0.525 18.528 19.000 0.089 0.000 1.136 118 A HN 1.016 nan 8.150 nan 0.000 0.493 119 H N 0.314 119.404 119.070 0.033 0.000 2.521 119 H HA 0.447 5.004 4.556 0.002 0.000 0.286 119 H C 0.366 175.737 175.328 0.073 0.000 1.034 119 H CA 1.397 57.480 56.048 0.059 0.000 1.278 119 H CB -0.256 29.544 29.762 0.063 0.000 1.386 119 H HN 0.723 nan 8.280 nan 0.000 0.567 120 A N 0.524 122.910 122.820 -0.723 0.000 2.601 120 A HA 0.493 4.814 4.320 0.002 0.000 0.291 120 A C -1.435 175.965 177.584 -0.307 0.000 1.075 120 A CA -0.744 51.010 52.037 -0.472 0.000 0.671 120 A CB 0.969 19.639 19.000 -0.551 0.000 1.277 120 A HN 0.273 nan 8.150 nan 0.000 0.417 121 L N 0.723 121.854 121.223 -0.153 0.000 2.379 121 L HA 0.840 5.181 4.340 0.002 0.000 0.269 121 L C 0.030 176.868 176.870 -0.053 0.000 1.084 121 L CA -0.055 54.733 54.840 -0.086 0.000 0.802 121 L CB 1.661 43.690 42.059 -0.051 0.000 1.175 121 L HN 0.918 nan 8.230 nan 0.000 0.448 122 S N 3.325 119.015 115.700 -0.018 0.000 2.572 122 S HA 0.367 4.838 4.470 0.002 0.000 0.274 122 S C 0.222 174.822 174.600 0.001 0.000 1.150 122 S CA -0.810 57.420 58.200 0.049 0.000 0.944 122 S CB 1.300 64.567 63.200 0.111 0.000 1.071 122 S HN 0.692 nan 8.310 nan 0.000 0.479 123 I N 1.014 121.516 120.570 -0.114 0.000 3.793 123 I HA 0.454 4.625 4.170 0.002 0.000 0.315 123 I C -0.396 175.589 176.117 -0.219 0.000 1.275 123 I CA -0.217 60.959 61.300 -0.206 0.000 1.214 123 I CB -0.213 37.602 38.000 -0.308 0.000 1.018 123 I HN 0.296 nan 8.210 nan 0.000 0.439 124 F N 2.153 122.171 119.950 0.114 0.000 2.362 124 F HA 0.635 5.163 4.527 0.002 0.000 0.311 124 F C 1.441 177.335 175.800 0.156 0.000 1.161 124 F CA -0.417 57.681 58.000 0.163 0.000 1.085 124 F CB 0.295 39.297 39.000 0.004 0.000 1.311 124 F HN -0.123 nan 8.300 nan 0.000 0.524 125 G N 0.309 109.355 108.800 0.409 0.000 2.353 125 G HA2 0.516 4.477 3.960 0.002 0.000 0.284 125 G HA3 0.516 4.477 3.960 0.002 0.000 0.284 125 G C -1.505 173.448 174.900 0.088 0.000 1.172 125 G CA -0.197 45.039 45.100 0.225 0.000 0.854 125 G HN 0.709 nan 8.290 nan 0.000 0.485 126 D N -1.273 119.144 120.400 0.028 0.000 2.769 126 D HA 0.068 4.709 4.640 0.002 0.000 0.309 126 D C -0.318 175.973 176.300 -0.015 0.000 1.315 126 D CA -0.750 53.176 54.000 -0.124 0.000 0.780 126 D CB 0.189 40.901 40.800 -0.146 0.000 1.312 126 D HN 0.425 nan 8.370 nan 0.000 0.437 127 H N -0.595 118.365 119.070 -0.183 0.000 2.519 127 H HA 0.197 4.753 4.556 0.002 0.000 0.289 127 H C 0.808 175.990 175.328 -0.244 0.000 1.040 127 H CA -0.102 55.738 56.048 -0.346 0.000 1.165 127 H CB 0.564 29.950 29.762 -0.626 0.000 1.462 127 H HN 0.271 nan 8.280 nan 0.000 0.555 128 Q N 0.937 120.745 119.800 0.014 0.000 2.170 128 Q HA -0.165 4.175 4.340 0.002 0.000 0.203 128 Q C 1.585 177.584 176.000 -0.001 0.000 0.976 128 Q CA 1.650 57.481 55.803 0.047 0.000 0.858 128 Q CB 0.128 28.880 28.738 0.024 0.000 0.907 128 Q HN 0.681 nan 8.270 nan 0.000 0.433 129 D N 0.847 121.209 120.400 -0.064 0.000 2.110 129 D HA -0.164 4.477 4.640 0.002 0.000 0.202 129 D C 1.908 178.111 176.300 -0.162 0.000 0.975 129 D CA 1.093 55.039 54.000 -0.091 0.000 0.839 129 D CB -0.621 40.127 40.800 -0.088 0.000 0.996 129 D HN 0.417 nan 8.370 nan 0.000 0.464 130 I N -1.947 118.432 120.570 -0.318 0.000 2.361 130 I HA -0.158 4.013 4.170 0.002 0.000 0.251 130 I C 2.343 178.263 176.117 -0.329 0.000 1.133 130 I CA 1.031 62.043 61.300 -0.480 0.000 1.413 130 I CB -1.146 36.230 38.000 -1.040 0.000 1.073 130 I HN -0.071 nan 8.210 nan 0.000 0.424 131 Y N 1.178 121.328 120.300 -0.250 0.000 2.373 131 Y HA 0.038 4.589 4.550 0.002 0.000 0.293 131 Y C 2.682 178.526 175.900 -0.094 0.000 1.129 131 Y CA 0.316 58.323 58.100 -0.155 0.000 1.226 131 Y CB -0.139 38.249 38.460 -0.120 0.000 1.000 131 Y HN 0.295 nan 8.280 nan 0.000 0.549 132 A N -0.233 122.620 122.820 0.055 0.000 2.172 132 A HA 0.083 4.404 4.320 0.002 0.000 0.216 132 A C 1.887 179.457 177.584 -0.025 0.000 1.154 132 A CA 1.336 53.381 52.037 0.015 0.000 0.701 132 A CB -0.522 18.475 19.000 -0.004 0.000 0.789 132 A HN 0.324 nan 8.150 nan 0.000 0.465 133 A N -0.168 122.612 122.820 -0.067 0.000 2.538 133 A HA 0.277 4.598 4.320 0.002 0.000 0.269 133 A C 1.653 179.163 177.584 -0.123 0.000 1.231 133 A CA 0.310 52.262 52.037 -0.142 0.000 0.948 133 A CB -0.285 18.582 19.000 -0.222 0.000 1.110 133 A HN 0.602 nan 8.150 nan 0.000 0.529 134 R N 0.443 120.937 120.500 -0.010 0.000 2.193 134 R HA -0.136 4.205 4.340 0.002 0.000 0.229 134 R C 1.294 177.589 176.300 -0.008 0.000 1.110 134 R CA 1.548 57.686 56.100 0.063 0.000 0.988 134 R CB -0.199 30.242 30.300 0.235 0.000 0.871 134 R HN 0.516 nan 8.270 nan 0.000 0.458 135 Q N 1.249 121.014 119.800 -0.058 0.000 2.319 135 Q HA 0.005 4.346 4.340 0.002 0.000 0.202 135 Q C 0.969 176.833 176.000 -0.226 0.000 0.896 135 Q CA 1.107 56.869 55.803 -0.069 0.000 0.942 135 Q CB 0.398 29.151 28.738 0.024 0.000 1.083 135 Q HN 0.422 nan 8.270 nan 0.000 0.510 136 T N -3.027 111.269 114.554 -0.429 0.000 3.072 136 T HA 0.232 4.583 4.350 0.002 0.000 0.266 136 T C 1.418 175.953 174.700 -0.275 0.000 1.127 136 T CA 0.886 62.516 62.100 -0.784 0.000 1.107 136 T CB -0.114 68.321 68.868 -0.723 0.000 0.910 136 T HN 0.535 nan 8.240 nan 0.000 0.513 137 G N 0.368 109.122 108.800 -0.077 0.000 2.175 137 G HA2 -0.182 3.779 3.960 0.002 0.000 0.244 137 G HA3 -0.182 3.779 3.960 0.002 0.000 0.244 137 G C -0.179 174.840 174.900 0.199 0.000 0.982 137 G CA -0.320 44.826 45.100 0.077 0.000 0.641 137 G HN 0.493 nan 8.290 nan 0.000 0.527 138 F N 1.855 121.714 119.950 -0.152 0.000 2.399 138 F HA 0.687 5.215 4.527 0.002 0.000 0.342 138 F C 1.036 176.692 175.800 -0.240 0.000 1.106 138 F CA -0.275 57.587 58.000 -0.231 0.000 1.196 138 F CB 1.275 40.094 39.000 -0.303 0.000 1.163 138 F HN 0.337 nan 8.300 nan 0.000 0.547 139 A N 4.928 127.519 122.820 -0.382 0.000 2.386 139 A HA 0.599 4.920 4.320 0.002 0.000 0.248 139 A C -0.426 176.973 177.584 -0.309 0.000 1.082 139 A CA -0.349 51.344 52.037 -0.573 0.000 0.789 139 A CB 0.171 18.218 19.000 -1.589 0.000 1.025 139 A HN 0.775 nan 8.150 nan 0.000 0.490 140 M N 1.892 121.444 119.600 -0.080 0.000 2.142 140 M HA 0.372 4.852 4.480 0.002 0.000 0.299 140 M C -1.329 175.142 176.300 0.284 0.000 0.960 140 M CA -0.334 55.094 55.300 0.214 0.000 0.920 140 M CB 1.754 34.563 32.600 0.349 0.000 1.541 140 M HN 0.526 nan 8.290 nan 0.000 0.429 141 L N 3.496 124.905 121.223 0.310 0.000 2.343 141 L HA 0.848 5.189 4.340 0.002 0.000 0.278 141 L C -0.621 176.178 176.870 -0.117 0.000 0.996 141 L CA -0.157 54.783 54.840 0.166 0.000 0.831 141 L CB 1.419 43.641 42.059 0.272 0.000 1.232 141 L HN 0.781 nan 8.230 nan 0.000 0.413 142 A N 3.299 125.874 122.820 -0.408 0.000 2.310 142 A HA 0.812 5.133 4.320 0.002 0.000 0.299 142 A C -0.251 177.137 177.584 -0.326 0.000 1.147 142 A CA -0.377 51.134 52.037 -0.878 0.000 0.818 142 A CB 0.633 19.125 19.000 -0.846 0.000 1.096 142 A HN 0.684 nan 8.150 nan 0.000 0.495 143 S N 0.272 115.840 115.700 -0.221 0.000 2.472 143 S HA 0.451 4.922 4.470 0.002 0.000 0.303 143 S C 0.913 175.537 174.600 0.041 0.000 1.099 143 S CA 0.011 58.209 58.200 -0.002 0.000 1.077 143 S CB 1.581 64.885 63.200 0.173 0.000 1.031 143 S HN 1.054 nan 8.310 nan 0.000 0.487 144 S N 0.608 116.352 115.700 0.073 0.000 2.539 144 S HA 0.328 4.799 4.470 0.002 0.000 0.221 144 S C 0.418 175.102 174.600 0.140 0.000 0.987 144 S CA -0.078 58.198 58.200 0.127 0.000 0.929 144 S CB -0.102 63.178 63.200 0.133 0.000 0.832 144 S HN 0.741 nan 8.310 nan 0.000 0.492 145 S N -0.805 114.968 115.700 0.120 0.000 2.656 145 S HA 0.561 5.032 4.470 0.002 0.000 0.273 145 S C 0.572 175.221 174.600 0.081 0.000 1.168 145 S CA -0.288 57.979 58.200 0.111 0.000 0.817 145 S CB 0.854 64.117 63.200 0.106 0.000 1.146 145 S HN -0.023 nan 8.310 nan 0.000 0.475 146 V N 1.208 121.165 119.914 0.073 0.000 2.343 146 V HA -0.146 3.975 4.120 0.002 0.000 0.247 146 V C 2.903 179.023 176.094 0.042 0.000 1.051 146 V CA 2.558 64.881 62.300 0.039 0.000 1.036 146 V CB -1.065 30.791 31.823 0.054 0.000 0.654 146 V HN 0.963 nan 8.190 nan 0.000 0.451 147 Q N 0.662 120.506 119.800 0.072 0.000 2.084 147 Q HA -0.222 4.119 4.340 0.002 0.000 0.202 147 Q C 2.085 178.166 176.000 0.134 0.000 0.978 147 Q CA 2.027 57.886 55.803 0.094 0.000 0.844 147 Q CB -0.348 28.456 28.738 0.109 0.000 0.898 147 Q HN 0.689 nan 8.270 nan 0.000 0.426 148 E N -0.709 119.562 120.200 0.118 0.000 2.268 148 E HA -0.113 4.238 4.350 0.002 0.000 0.195 148 E C 1.767 178.378 176.600 0.017 0.000 0.995 148 E CA 0.570 57.007 56.400 0.062 0.000 0.836 148 E CB -0.121 29.602 29.700 0.038 0.000 0.763 148 E HN 0.500 nan 8.360 nan 0.000 0.491 149 A N 1.458 124.286 122.820 0.014 0.000 1.902 149 A HA -0.244 4.077 4.320 0.002 0.000 0.217 149 A C 2.083 179.659 177.584 -0.014 0.000 1.181 149 A CA 1.707 53.716 52.037 -0.047 0.000 0.623 149 A CB -0.717 18.074 19.000 -0.348 0.000 0.818 149 A HN 0.369 nan 8.150 nan 0.000 0.443 150 H N 0.233 119.268 119.070 -0.058 0.000 2.299 150 H HA -0.132 4.424 4.556 0.002 0.000 0.302 150 H C 1.417 176.722 175.328 -0.039 0.000 1.078 150 H CA 1.975 58.009 56.048 -0.023 0.000 1.323 150 H CB -0.323 29.441 29.762 0.004 0.000 1.381 150 H HN 0.381 nan 8.280 nan 0.000 0.498 151 D N 0.610 121.091 120.400 0.135 0.000 2.104 151 D HA -0.150 4.491 4.640 0.002 0.000 0.194 151 D C 2.397 178.591 176.300 -0.176 0.000 0.994 151 D CA 1.033 55.064 54.000 0.052 0.000 0.830 151 D CB -0.181 40.735 40.800 0.194 0.000 0.959 151 D HN 0.348 nan 8.370 nan 0.000 0.452 152 M N 0.358 119.796 119.600 -0.270 0.000 2.254 152 M HA 0.064 4.545 4.480 0.002 0.000 0.265 152 M C 2.236 178.225 176.300 -0.518 0.000 1.066 152 M CA 0.517 55.606 55.300 -0.353 0.000 1.123 152 M CB -1.046 31.394 32.600 -0.266 0.000 1.388 152 M HN -0.028 nan 8.290 nan 0.000 0.425 153 A N 0.401 122.820 122.820 -0.669 0.000 1.902 153 A HA -0.164 4.157 4.320 0.002 0.000 0.217 153 A C 2.224 179.747 177.584 -0.102 0.000 1.181 153 A CA 1.416 53.201 52.037 -0.420 0.000 0.623 153 A CB -0.860 18.030 19.000 -0.184 0.000 0.818 153 A HN 0.409 nan 8.150 nan 0.000 0.443 154 L N -0.139 120.953 121.223 -0.217 0.000 2.027 154 L HA -0.072 4.269 4.340 0.002 0.000 0.206 154 L C 2.399 179.157 176.870 -0.187 0.000 1.074 154 L CA 1.819 56.548 54.840 -0.184 0.000 0.745 154 L CB -0.599 41.320 42.059 -0.233 0.000 0.898 154 L HN 0.146 nan 8.230 nan 0.000 0.433 155 V N 0.219 120.017 119.914 -0.193 0.000 2.332 155 V HA -0.311 3.810 4.120 0.002 0.000 0.248 155 V C 2.825 178.691 176.094 -0.380 0.000 1.055 155 V CA 1.632 63.812 62.300 -0.201 0.000 1.038 155 V CB -1.420 30.334 31.823 -0.116 0.000 0.651 155 V HN 0.611 nan 8.190 nan 0.000 0.450 156 A N -1.090 121.501 122.820 -0.382 0.000 1.883 156 A HA -0.277 4.044 4.320 0.002 0.000 0.217 156 A C 2.155 179.297 177.584 -0.738 0.000 1.186 156 A CA 2.022 53.675 52.037 -0.641 0.000 0.624 156 A CB -0.816 18.029 19.000 -0.259 0.000 0.822 156 A HN 0.671 nan 8.150 nan 0.000 0.444 157 H N -0.463 118.365 119.070 -0.404 0.000 2.326 157 H HA -0.029 4.528 4.556 0.002 0.000 0.301 157 H C 2.161 177.213 175.328 -0.459 0.000 1.081 157 H CA 1.762 57.604 56.048 -0.344 0.000 1.334 157 H CB -0.256 29.381 29.762 -0.209 0.000 1.385 157 H HN 0.414 nan 8.280 nan 0.000 0.504 158 L N 0.121 121.078 121.223 -0.443 0.000 2.046 158 L HA -0.147 4.194 4.340 0.002 0.000 0.208 158 L C 2.918 179.272 176.870 -0.859 0.000 1.077 158 L CA 1.009 55.386 54.840 -0.773 0.000 0.747 158 L CB -0.448 40.896 42.059 -1.191 0.000 0.896 158 L HN 0.204 nan 8.230 nan 0.000 0.432 159 A N -0.160 122.211 122.820 -0.748 0.000 1.930 159 A HA -0.076 4.245 4.320 0.002 0.000 0.217 159 A C 2.529 179.862 177.584 -0.417 0.000 1.175 159 A CA 1.455 53.210 52.037 -0.471 0.000 0.627 159 A CB -0.593 18.084 19.000 -0.537 0.000 0.815 159 A HN 0.383 nan 8.150 nan 0.000 0.443 160 A N 0.197 122.643 122.820 -0.622 0.000 1.902 160 A HA -0.090 4.231 4.320 0.002 0.000 0.217 160 A C 2.104 179.547 177.584 -0.235 0.000 1.181 160 A CA 1.518 53.370 52.037 -0.308 0.000 0.623 160 A CB -0.615 18.187 19.000 -0.329 0.000 0.818 160 A HN 0.490 nan 8.150 nan 0.000 0.443 161 I N -0.755 119.654 120.570 -0.269 0.000 2.163 161 I HA -0.272 3.899 4.170 0.002 0.000 0.243 161 I C 2.614 178.666 176.117 -0.109 0.000 1.085 161 I CA 2.002 63.173 61.300 -0.216 0.000 1.347 161 I CB -0.297 37.595 38.000 -0.181 0.000 1.044 161 I HN 0.537 nan 8.210 nan 0.000 0.408 162 E N 0.610 120.773 120.200 -0.062 0.000 2.158 162 E HA -0.178 4.173 4.350 0.002 0.000 0.191 162 E C 2.178 178.817 176.600 0.066 0.000 0.982 162 E CA 1.340 57.772 56.400 0.053 0.000 0.823 162 E CB 0.128 29.942 29.700 0.190 0.000 0.766 162 E HN 0.489 nan 8.360 nan 0.000 0.468 163 S N -0.475 115.253 115.700 0.047 0.000 2.478 163 S HA 0.017 4.488 4.470 0.002 0.000 0.222 163 S C 0.687 175.323 174.600 0.059 0.000 1.008 163 S CA 0.646 58.893 58.200 0.077 0.000 0.928 163 S CB -0.142 63.115 63.200 0.095 0.000 0.781 163 S HN 0.445 nan 8.310 nan 0.000 0.518 164 N N -0.480 118.201 118.700 -0.032 0.000 2.800 164 N HA -0.119 4.622 4.740 0.002 0.000 0.250 164 N C -1.157 174.231 175.510 -0.202 0.000 1.078 164 N CA 0.808 53.788 53.050 -0.117 0.000 0.804 164 N CB -1.491 36.930 38.487 -0.111 0.000 1.135 164 N HN 0.365 nan 8.380 nan 0.000 0.565 165 V N 1.119 120.921 119.914 -0.186 0.000 2.417 165 V HA 0.454 4.575 4.120 0.002 0.000 0.291 165 V C -1.837 174.081 176.094 -0.293 0.000 1.024 165 V CA -1.540 60.559 62.300 -0.336 0.000 0.861 165 V CB 1.748 33.285 31.823 -0.478 0.000 0.985 165 V HN -0.059 nan 8.190 nan 0.000 0.436 166 P HA 0.199 nan 4.420 nan 0.000 0.269 166 P C -1.160 175.727 177.300 -0.689 0.000 1.215 166 P CA -0.003 62.628 63.100 -0.783 0.000 0.780 166 P CB 0.650 31.400 31.700 -1.583 0.000 0.898 167 F N 1.108 120.720 119.950 -0.563 0.000 2.532 167 F HA 0.501 5.029 4.527 0.002 0.000 0.321 167 F C 0.720 176.527 175.800 0.012 0.000 1.089 167 F CA -0.838 57.028 58.000 -0.223 0.000 0.926 167 F CB 2.075 40.956 39.000 -0.198 0.000 1.168 167 F HN 0.146 nan 8.300 nan 0.000 0.459 168 M N 4.612 124.389 119.600 0.295 0.000 2.044 168 M HA 0.289 4.770 4.480 0.002 0.000 0.333 168 M C -1.520 175.012 176.300 0.386 0.000 1.004 168 M CA -0.667 54.816 55.300 0.304 0.000 0.954 168 M CB 0.383 33.099 32.600 0.192 0.000 1.468 168 M HN 0.712 nan 8.290 nan 0.000 0.414 169 H N 6.200 125.414 119.070 0.241 0.000 2.604 169 H HA 0.535 5.092 4.556 0.002 0.000 0.306 169 H C -1.878 173.699 175.328 0.416 0.000 1.075 169 H CA -0.375 55.841 56.048 0.280 0.000 1.357 169 H CB 0.408 30.320 29.762 0.249 0.000 1.426 169 H HN 0.557 nan 8.280 nan 0.000 0.470 170 F N 4.411 124.274 119.950 -0.146 0.000 2.588 170 F HA 0.699 5.227 4.527 0.001 0.000 0.314 170 F C -1.935 173.842 175.800 -0.038 0.000 1.069 170 F CA -1.468 56.400 58.000 -0.219 0.000 0.931 170 F CB 1.298 40.177 39.000 -0.201 0.000 1.260 170 F HN 0.387 nan 8.300 nan 0.000 0.465 171 F N -1.082 118.850 119.950 -0.031 0.000 2.631 171 F HA 0.522 5.050 4.527 0.001 0.000 0.308 171 F C -1.214 174.686 175.800 0.167 0.000 1.097 171 F CA -1.457 56.549 58.000 0.010 0.000 0.952 171 F CB 0.861 39.862 39.000 0.002 0.000 1.307 171 F HN 0.335 nan 8.300 nan 0.000 0.450 172 D N 1.737 122.339 120.400 0.337 0.000 2.487 172 D HA 0.260 4.901 4.640 0.002 0.000 0.243 172 D C 0.540 176.972 176.300 0.219 0.000 1.154 172 D CA 0.580 54.746 54.000 0.277 0.000 0.876 172 D CB 1.157 42.137 40.800 0.301 0.000 1.161 172 D HN 0.988 nan 8.370 nan 0.000 0.478 173 G N 1.645 110.527 108.800 0.137 0.000 2.272 173 G HA2 0.184 4.145 3.960 0.002 0.000 0.247 173 G HA3 0.184 4.145 3.960 0.002 0.000 0.247 173 G C 0.489 175.579 174.900 0.317 0.000 1.272 173 G CA -0.160 44.999 45.100 0.097 0.000 0.921 173 G HN 0.501 nan 8.290 nan 0.000 0.495 174 F N 0.340 120.419 119.950 0.215 0.000 2.560 174 F HA -0.345 4.183 4.527 0.001 0.000 0.695 174 F C 2.367 178.459 175.800 0.488 0.000 0.486 174 F CA 2.292 60.461 58.000 0.283 0.000 0.722 174 F CB -1.110 38.063 39.000 0.288 0.000 1.608 174 F HN 0.538 nan 8.300 nan 0.000 0.266 175 R N 0.476 121.320 120.500 0.574 0.000 2.170 175 R HA -0.093 4.248 4.340 0.002 0.000 0.242 175 R C 1.653 178.158 176.300 0.341 0.000 1.145 175 R CA 2.588 58.901 56.100 0.356 0.000 0.984 175 R CB -0.740 29.689 30.300 0.216 0.000 0.869 175 R HN 0.640 nan 8.270 nan 0.000 0.455 176 T N -2.082 112.708 114.554 0.393 0.000 3.075 176 T HA 0.025 4.376 4.350 0.002 0.000 0.251 176 T C 1.504 176.463 174.700 0.432 0.000 0.979 176 T CA 0.486 62.810 62.100 0.374 0.000 1.033 176 T CB 0.002 69.109 68.868 0.398 0.000 1.104 176 T HN 0.381 nan 8.240 nan 0.000 0.473 177 S N 1.606 117.644 115.700 0.563 0.000 2.400 177 S HA -0.187 4.284 4.470 0.002 0.000 0.232 177 S C 1.449 176.278 174.600 0.381 0.000 1.025 177 S CA 1.484 60.033 58.200 0.581 0.000 0.993 177 S CB -0.478 63.002 63.200 0.467 0.000 0.808 177 S HN 0.557 nan 8.310 nan 0.000 0.478 178 H N 0.650 119.860 119.070 0.233 0.000 2.672 178 H HA 0.480 5.037 4.556 0.001 0.000 0.277 178 H C 0.193 175.708 175.328 0.312 0.000 1.074 178 H CA -0.280 55.912 56.048 0.240 0.000 1.173 178 H CB 0.143 30.070 29.762 0.275 0.000 1.558 178 H HN 0.648 nan 8.280 nan 0.000 0.539 179 E N 1.259 121.717 120.200 0.430 0.000 2.313 179 E HA 0.226 4.577 4.350 0.002 0.000 0.276 179 E C -0.570 176.159 176.600 0.215 0.000 1.031 179 E CA -0.379 56.237 56.400 0.359 0.000 0.857 179 E CB 0.708 30.585 29.700 0.296 0.000 1.040 179 E HN 0.228 nan 8.360 nan 0.000 0.408 180 I N 4.030 124.700 120.570 0.167 0.000 2.359 180 I HA 0.242 4.413 4.170 0.002 0.000 0.294 180 I C 0.093 176.247 176.117 0.062 0.000 0.987 180 I CA -0.555 60.812 61.300 0.112 0.000 1.225 180 I CB 1.346 39.422 38.000 0.127 0.000 1.366 180 I HN 0.465 nan 8.210 nan 0.000 0.466 181 Q N 4.571 124.405 119.800 0.057 0.000 2.418 181 Q HA 0.327 4.668 4.340 0.002 0.000 0.282 181 Q C -1.133 174.901 176.000 0.057 0.000 1.044 181 Q CA -0.988 54.847 55.803 0.054 0.000 0.813 181 Q CB 3.257 32.033 28.738 0.064 0.000 1.428 181 Q HN 0.472 nan 8.270 nan 0.000 0.402 182 K N 2.929 123.379 120.400 0.083 0.000 2.285 182 K HA 0.457 4.778 4.320 0.002 0.000 0.286 182 K C -0.191 176.457 176.600 0.080 0.000 1.072 182 K CA 0.032 56.356 56.287 0.062 0.000 0.913 182 K CB 0.063 32.594 32.500 0.051 0.000 1.067 182 K HN 0.595 nan 8.250 nan 0.000 0.479 183 I N -0.785 119.798 120.570 0.021 0.000 3.466 183 I HA 0.520 4.690 4.170 0.002 0.000 0.311 183 I C -1.258 174.820 176.117 -0.065 0.000 1.155 183 I CA -1.085 60.217 61.300 0.004 0.000 0.959 183 I CB 1.961 39.953 38.000 -0.014 0.000 1.332 183 I HN 0.520 nan 8.210 nan 0.000 0.483 184 E N 1.852 121.986 120.200 -0.111 0.000 2.187 184 E HA 0.599 4.950 4.350 0.002 0.000 0.268 184 E C -1.548 174.821 176.600 -0.385 0.000 0.896 184 E CA -0.792 55.506 56.400 -0.171 0.000 0.766 184 E CB 2.439 32.079 29.700 -0.100 0.000 1.142 184 E HN 0.642 nan 8.360 nan 0.000 0.408 185 V N 1.842 121.515 119.914 -0.401 0.000 2.864 185 V HA 0.588 4.708 4.120 0.002 0.000 0.314 185 V C -0.424 175.572 176.094 -0.164 0.000 1.073 185 V CA -1.019 60.912 62.300 -0.615 0.000 0.956 185 V CB 1.414 32.876 31.823 -0.602 0.000 1.023 185 V HN 0.640 nan 8.190 nan 0.000 0.435 186 L N 2.804 124.142 121.223 0.191 0.000 2.357 186 L HA 0.508 4.849 4.340 0.002 0.000 0.273 186 L C 0.169 177.256 176.870 0.362 0.000 1.080 186 L CA -0.573 54.422 54.840 0.258 0.000 0.803 186 L CB 1.263 43.498 42.059 0.293 0.000 1.174 186 L HN 0.992 nan 8.230 nan 0.000 0.443 187 D N -0.268 120.261 120.400 0.215 0.000 2.377 187 D HA -0.037 4.604 4.640 0.002 0.000 0.245 187 D C 0.649 177.121 176.300 0.287 0.000 1.196 187 D CA -0.152 53.968 54.000 0.200 0.000 0.962 187 D CB 0.501 41.340 40.800 0.065 0.000 1.127 187 D HN 0.282 nan 8.370 nan 0.000 0.471 188 Y N -0.083 120.193 120.300 -0.041 0.000 2.274 188 Y HA -0.030 4.520 4.550 0.002 0.000 0.290 188 Y C 2.569 178.425 175.900 -0.074 0.000 1.145 188 Y CA 0.799 58.846 58.100 -0.088 0.000 1.203 188 Y CB -1.279 37.110 38.460 -0.117 0.000 0.984 188 Y HN 0.597 nan 8.280 nan 0.000 0.533 189 A N 0.185 123.073 122.820 0.113 0.000 1.902 189 A HA -0.185 4.136 4.320 0.002 0.000 0.217 189 A C 2.002 179.602 177.584 0.027 0.000 1.181 189 A CA 1.988 54.050 52.037 0.043 0.000 0.623 189 A CB -0.678 18.340 19.000 0.031 0.000 0.818 189 A HN 0.308 nan 8.150 nan 0.000 0.443 190 D N -0.390 120.040 120.400 0.049 0.000 2.117 190 D HA -0.136 4.505 4.640 0.002 0.000 0.197 190 D C 2.037 178.351 176.300 0.023 0.000 0.987 190 D CA 1.394 55.421 54.000 0.044 0.000 0.829 190 D CB -0.367 40.475 40.800 0.069 0.000 0.961 190 D HN 0.494 nan 8.370 nan 0.000 0.460 191 M N 0.341 119.945 119.600 0.007 0.000 2.117 191 M HA -0.108 4.373 4.480 0.002 0.000 0.262 191 M C 2.295 178.532 176.300 -0.104 0.000 1.065 191 M CA 1.365 56.627 55.300 -0.064 0.000 1.114 191 M CB -0.203 32.310 32.600 -0.146 0.000 1.361 191 M HN -0.022 nan 8.290 nan 0.000 0.408 192 A N 0.444 123.195 122.820 -0.115 0.000 1.972 192 A HA -0.164 4.157 4.320 0.002 0.000 0.219 192 A C 2.251 179.791 177.584 -0.073 0.000 1.169 192 A CA 2.062 54.013 52.037 -0.143 0.000 0.635 192 A CB -0.929 17.982 19.000 -0.147 0.000 0.810 192 A HN 0.608 nan 8.150 nan 0.000 0.446 193 S N -0.952 114.730 115.700 -0.030 0.000 2.474 193 S HA -0.035 4.436 4.470 0.002 0.000 0.235 193 S C 1.361 175.975 174.600 0.022 0.000 0.997 193 S CA 1.319 59.519 58.200 0.001 0.000 0.949 193 S CB -0.289 62.920 63.200 0.014 0.000 0.766 193 S HN 0.223 nan 8.310 nan 0.000 0.517 194 L N 1.432 122.669 121.223 0.023 0.000 2.529 194 L HA 0.381 4.722 4.340 0.002 0.000 0.223 194 L C 0.535 177.461 176.870 0.095 0.000 1.113 194 L CA 0.070 54.961 54.840 0.085 0.000 0.861 194 L CB -0.499 41.618 42.059 0.097 0.000 1.012 194 L HN 0.159 nan 8.230 nan 0.000 0.461 195 V N 1.349 121.263 119.914 0.001 0.000 2.655 195 V HA -0.021 4.100 4.120 0.002 0.000 0.300 195 V C 0.805 176.933 176.094 0.058 0.000 1.044 195 V CA -0.313 61.977 62.300 -0.017 0.000 1.095 195 V CB 0.481 32.270 31.823 -0.056 0.000 0.952 195 V HN 0.337 nan 8.190 nan 0.000 0.485 196 N N 4.425 123.175 118.700 0.084 0.000 2.448 196 N HA 0.094 4.835 4.740 0.002 0.000 0.250 196 N C 1.018 176.578 175.510 0.083 0.000 1.136 196 N CA 0.182 53.296 53.050 0.107 0.000 0.953 196 N CB 0.955 39.526 38.487 0.140 0.000 1.251 196 N HN 0.691 nan 8.380 nan 0.000 0.502 197 Q N 1.884 121.731 119.800 0.079 0.000 2.226 197 Q HA -0.103 4.238 4.340 0.002 0.000 0.204 197 Q C 1.009 177.060 176.000 0.086 0.000 0.975 197 Q CA 0.946 56.803 55.803 0.089 0.000 0.866 197 Q CB 0.260 29.045 28.738 0.079 0.000 0.915 197 Q HN 0.450 nan 8.270 nan 0.000 0.440 198 K N 0.647 121.091 120.400 0.073 0.000 2.062 198 K HA -0.020 4.301 4.320 0.002 0.000 0.205 198 K C 2.028 178.676 176.600 0.080 0.000 1.051 198 K CA 1.098 57.425 56.287 0.066 0.000 0.941 198 K CB -0.381 32.151 32.500 0.053 0.000 0.719 198 K HN 0.157 nan 8.250 nan 0.000 0.440 199 A N 1.485 124.357 122.820 0.086 0.000 1.902 199 A HA -0.156 4.165 4.320 0.002 0.000 0.217 199 A C 2.199 179.860 177.584 0.129 0.000 1.181 199 A CA 1.272 53.366 52.037 0.096 0.000 0.623 199 A CB -0.567 18.482 19.000 0.081 0.000 0.818 199 A HN 0.219 nan 8.150 nan 0.000 0.443 200 L N -0.169 121.133 121.223 0.132 0.000 2.017 200 L HA -0.075 4.266 4.340 0.002 0.000 0.208 200 L C 2.653 179.645 176.870 0.203 0.000 1.073 200 L CA 2.282 57.238 54.840 0.194 0.000 0.745 200 L CB -0.863 41.310 42.059 0.190 0.000 0.894 200 L HN 0.338 nan 8.230 nan 0.000 0.432 201 A N -0.803 122.092 122.820 0.126 0.000 1.933 201 A HA -0.213 4.108 4.320 0.002 0.000 0.218 201 A C 2.124 179.745 177.584 0.062 0.000 1.175 201 A CA 1.753 53.836 52.037 0.076 0.000 0.628 201 A CB -0.611 18.421 19.000 0.054 0.000 0.814 201 A HN 0.640 nan 8.150 nan 0.000 0.444 202 E N -1.278 118.975 120.200 0.088 0.000 2.106 202 E HA -0.157 4.193 4.350 0.002 0.000 0.192 202 E C 1.728 178.387 176.600 0.099 0.000 0.984 202 E CA 1.161 57.605 56.400 0.074 0.000 0.806 202 E CB -0.294 29.456 29.700 0.084 0.000 0.750 202 E HN 0.718 nan 8.360 nan 0.000 0.458 203 F N 2.557 122.509 119.950 0.004 0.000 2.102 203 F HA -0.175 4.353 4.527 0.001 0.000 0.298 203 F C 2.046 177.845 175.800 -0.000 0.000 1.105 203 F CA 1.431 59.428 58.000 -0.004 0.000 1.239 203 F CB 0.002 38.999 39.000 -0.004 0.000 0.991 203 F HN -0.180 nan 8.300 nan 0.000 0.474 204 R N 0.982 121.316 120.500 -0.277 0.000 2.073 204 R HA -0.080 4.261 4.340 0.002 0.000 0.234 204 R C 2.471 178.654 176.300 -0.195 0.000 1.134 204 R CA 1.400 57.286 56.100 -0.355 0.000 0.952 204 R CB -1.771 28.436 30.300 -0.156 0.000 0.850 204 R HN 0.428 nan 8.270 nan 0.000 0.433 205 A N 2.483 125.241 122.820 -0.104 0.000 1.978 205 A HA -0.214 4.107 4.320 0.002 0.000 0.220 205 A C 2.065 179.622 177.584 -0.045 0.000 1.170 205 A CA 1.955 53.938 52.037 -0.089 0.000 0.636 205 A CB -0.354 18.592 19.000 -0.089 0.000 0.810 205 A HN 0.502 nan 8.150 nan 0.000 0.448 206 K N -0.580 119.787 120.400 -0.054 0.000 2.400 206 K HA 0.192 4.513 4.320 0.002 0.000 0.194 206 K C 0.452 177.030 176.600 -0.037 0.000 1.033 206 K CA 0.502 56.762 56.287 -0.045 0.000 1.021 206 K CB -0.004 32.466 32.500 -0.051 0.000 0.808 206 K HN 0.222 nan 8.250 nan 0.000 0.505 207 S N 1.477 117.119 115.700 -0.097 0.000 2.589 207 S HA 0.140 4.611 4.470 0.002 0.000 0.265 207 S C 0.262 174.850 174.600 -0.021 0.000 1.342 207 S CA -0.581 57.545 58.200 -0.123 0.000 1.005 207 S CB 0.392 63.402 63.200 -0.315 0.000 0.909 207 S HN 0.206 nan 8.310 nan 0.000 0.555 208 M N 3.010 122.582 119.600 -0.047 0.000 2.260 208 M HA 0.099 4.580 4.480 0.002 0.000 0.348 208 M C 0.304 176.526 176.300 -0.131 0.000 1.342 208 M CA 0.767 56.036 55.300 -0.051 0.000 1.040 208 M CB -0.165 32.402 32.600 -0.054 0.000 1.810 208 M HN 0.520 nan 8.290 nan 0.000 0.453 209 N N 4.342 122.908 118.700 -0.223 0.000 2.864 209 N HA 0.175 4.916 4.740 0.002 0.000 0.247 209 N C -2.571 172.714 175.510 -0.375 0.000 1.071 209 N CA -0.889 51.949 53.050 -0.354 0.000 1.056 209 N CB 2.158 40.291 38.487 -0.591 0.000 1.661 209 N HN 0.230 nan 8.380 nan 0.000 0.570 210 P HA -0.047 nan 4.420 nan 0.000 0.231 210 P C 0.490 177.687 177.300 -0.170 0.000 1.158 210 P CA 0.913 63.910 63.100 -0.172 0.000 0.763 210 P CB 0.573 32.206 31.700 -0.112 0.000 0.805 211 E N -0.017 120.048 120.200 -0.225 0.000 2.285 211 E HA -0.079 4.272 4.350 0.002 0.000 0.194 211 E C 0.759 177.350 176.600 -0.015 0.000 0.997 211 E CA 0.863 57.209 56.400 -0.091 0.000 0.845 211 E CB -0.244 29.458 29.700 0.003 0.000 0.782 211 E HN 0.688 nan 8.360 nan 0.000 0.491 212 H N -1.593 117.436 119.070 -0.067 0.000 2.803 212 H HA 0.283 4.840 4.556 0.002 0.000 0.219 212 H C -2.845 172.365 175.328 -0.196 0.000 1.379 212 H CA -1.709 54.275 56.048 -0.107 0.000 1.415 212 H CB -0.077 29.664 29.762 -0.034 0.000 1.943 212 H HN -0.115 nan 8.280 nan 0.000 0.569 213 P HA 0.192 nan 4.420 nan 0.000 0.272 213 P C -0.265 176.739 177.300 -0.494 0.000 1.230 213 P CA 0.371 63.317 63.100 -0.257 0.000 0.788 213 P CB 1.659 33.261 31.700 -0.164 0.000 0.949 214 H N -1.600 117.465 119.070 -0.008 0.000 2.990 214 H HA 0.370 4.926 4.556 0.002 0.000 0.336 214 H C -0.930 174.398 175.328 0.001 0.000 1.306 214 H CA -0.721 55.331 56.048 0.008 0.000 1.118 214 H CB 1.743 31.518 29.762 0.021 0.000 1.856 214 H HN 0.081 nan 8.280 nan 0.000 0.538 215 V N 2.353 122.354 119.914 0.144 0.000 2.459 215 V HA 0.430 4.551 4.120 0.002 0.000 0.295 215 V C 0.150 176.293 176.094 0.081 0.000 1.029 215 V CA -0.743 61.605 62.300 0.081 0.000 0.874 215 V CB 1.738 33.595 31.823 0.057 0.000 0.985 215 V HN 0.653 nan 8.190 nan 0.000 0.438 216 R N 2.695 123.234 120.500 0.065 0.000 2.807 216 R HA 0.760 5.101 4.340 0.002 0.000 0.276 216 R C 0.321 176.663 176.300 0.070 0.000 0.979 216 R CA -0.217 55.923 56.100 0.067 0.000 0.928 216 R CB 1.895 32.237 30.300 0.071 0.000 1.191 216 R HN 1.153 nan 8.270 nan 0.000 0.471 217 G N 1.461 110.309 108.800 0.081 0.000 2.291 217 G HA2 -0.294 3.667 3.960 0.002 0.000 0.271 217 G HA3 -0.294 3.667 3.960 0.002 0.000 0.271 217 G C 0.083 175.024 174.900 0.068 0.000 1.099 217 G CA 0.352 45.503 45.100 0.085 0.000 0.919 217 G HN 1.078 nan 8.290 nan 0.000 0.496 218 T N -2.189 112.406 114.554 0.068 0.000 2.754 218 T HA 0.759 5.110 4.350 0.002 0.000 0.286 218 T C 0.570 175.311 174.700 0.068 0.000 0.997 218 T CA 0.394 62.531 62.100 0.061 0.000 0.982 218 T CB 2.061 70.966 68.868 0.062 0.000 1.027 218 T HN 1.846 nan 8.240 nan 0.000 0.529 219 A N 1.044 123.898 122.820 0.057 0.000 2.318 219 A HA 0.614 4.935 4.320 0.002 0.000 0.324 219 A C -0.279 177.344 177.584 0.066 0.000 1.170 219 A CA -0.880 51.188 52.037 0.051 0.000 0.810 219 A CB 0.833 19.848 19.000 0.025 0.000 1.198 219 A HN 0.834 nan 8.150 nan 0.000 0.484 220 Q N 1.779 121.635 119.800 0.093 0.000 2.353 220 Q HA 0.325 4.666 4.340 0.002 0.000 0.268 220 Q C -0.671 175.378 176.000 0.082 0.000 1.045 220 Q CA -1.070 54.805 55.803 0.120 0.000 0.811 220 Q CB 1.968 30.838 28.738 0.219 0.000 1.305 220 Q HN 0.804 nan 8.270 nan 0.000 0.447 221 N N 1.520 120.264 118.700 0.072 0.000 2.364 221 N HA 0.154 4.895 4.740 0.002 0.000 0.264 221 N C -1.817 173.742 175.510 0.081 0.000 1.263 221 N CA -1.493 51.585 53.050 0.046 0.000 0.959 221 N CB 0.035 38.544 38.487 0.038 0.000 1.204 221 N HN 0.300 nan 8.380 nan 0.000 0.550 222 P HA -0.098 nan 4.420 nan 0.000 0.222 222 P C 0.451 177.823 177.300 0.120 0.000 1.147 222 P CA 1.006 64.159 63.100 0.089 0.000 0.790 222 P CB 0.114 31.845 31.700 0.051 0.000 0.780 223 D N 0.091 120.546 120.400 0.091 0.000 2.218 223 D HA -0.157 4.484 4.640 0.002 0.000 0.204 223 D C 1.589 177.945 176.300 0.093 0.000 0.976 223 D CA 1.259 55.307 54.000 0.081 0.000 0.853 223 D CB -0.891 39.942 40.800 0.056 0.000 0.939 223 D HN 0.357 nan 8.370 nan 0.000 0.481 224 I N -5.209 115.434 120.570 0.121 0.000 4.557 224 I HA 0.287 4.458 4.170 0.002 0.000 0.333 224 I C 1.732 177.941 176.117 0.154 0.000 1.332 224 I CA -0.726 60.642 61.300 0.112 0.000 1.240 224 I CB -0.091 37.956 38.000 0.079 0.000 1.312 224 I HN -0.207 nan 8.210 nan 0.000 0.457 225 Y N 2.156 122.510 120.300 0.089 0.000 2.081 225 Y HA -0.267 4.284 4.550 0.002 0.000 0.280 225 Y C 2.270 178.270 175.900 0.167 0.000 1.163 225 Y CA 2.540 60.696 58.100 0.093 0.000 1.135 225 Y CB -0.455 38.038 38.460 0.056 0.000 0.970 225 Y HN 0.276 nan 8.280 nan 0.000 0.498 226 F N 0.464 120.439 119.950 0.042 0.000 2.095 226 F HA -0.381 4.147 4.527 0.002 0.000 0.298 226 F C 2.224 177.963 175.800 -0.102 0.000 1.104 226 F CA 1.526 59.502 58.000 -0.040 0.000 1.232 226 F CB -0.086 38.946 39.000 0.054 0.000 0.987 226 F HN 0.190 nan 8.300 nan 0.000 0.475 227 Q N 0.253 120.111 119.800 0.097 0.000 2.061 227 Q HA -0.144 4.197 4.340 0.002 0.000 0.204 227 Q C 2.381 178.372 176.000 -0.015 0.000 0.984 227 Q CA 1.745 57.533 55.803 -0.026 0.000 0.846 227 Q CB -1.043 27.676 28.738 -0.032 0.000 0.902 227 Q HN 0.534 nan 8.270 nan 0.000 0.421 228 G N 0.190 108.965 108.800 -0.040 0.000 2.432 228 G HA2 -0.317 3.644 3.960 0.002 0.000 0.219 228 G HA3 -0.317 3.644 3.960 0.002 0.000 0.219 228 G C 1.541 176.371 174.900 -0.117 0.000 1.135 228 G CA 0.827 45.882 45.100 -0.075 0.000 0.767 228 G HN 0.158 nan 8.290 nan 0.000 0.550 229 R N 0.431 120.808 120.500 -0.205 0.000 2.115 229 R HA 0.044 4.385 4.340 0.002 0.000 0.226 229 R C 2.182 178.464 176.300 -0.029 0.000 1.100 229 R CA 1.015 57.005 56.100 -0.183 0.000 0.980 229 R CB -0.086 30.040 30.300 -0.291 0.000 0.875 229 R HN 0.229 nan 8.270 nan 0.000 0.445 230 E N -0.394 119.828 120.200 0.036 0.000 2.442 230 E HA 0.053 4.404 4.350 0.002 0.000 0.195 230 E C 1.599 178.226 176.600 0.045 0.000 1.030 230 E CA 0.730 57.161 56.400 0.052 0.000 0.869 230 E CB 0.213 29.944 29.700 0.052 0.000 0.857 230 E HN 0.391 nan 8.360 nan 0.000 0.505 231 A N 1.399 124.242 122.820 0.038 0.000 2.024 231 A HA -0.089 4.232 4.320 0.002 0.000 0.220 231 A C 2.255 179.923 177.584 0.141 0.000 1.164 231 A CA 1.607 53.684 52.037 0.066 0.000 0.643 231 A CB -0.265 18.764 19.000 0.049 0.000 0.806 231 A HN 0.214 nan 8.150 nan 0.000 0.451 232 A N -0.327 122.589 122.820 0.160 0.000 2.238 232 A HA 0.015 4.336 4.320 0.002 0.000 0.208 232 A C 1.590 179.402 177.584 0.379 0.000 1.177 232 A CA 0.819 53.037 52.037 0.303 0.000 0.804 232 A CB -0.502 18.660 19.000 0.270 0.000 0.823 232 A HN 0.501 nan 8.150 nan 0.000 0.482 233 N N 1.136 119.967 118.700 0.218 0.000 2.060 233 N HA -0.164 4.577 4.740 0.002 0.000 0.195 233 N C -0.894 174.721 175.510 0.175 0.000 1.028 233 N CA 2.000 55.158 53.050 0.180 0.000 0.861 233 N CB -1.642 36.896 38.487 0.085 0.000 1.029 233 N HN 0.327 nan 8.380 nan 0.000 0.428 234 P HA -0.115 nan 4.420 nan 0.000 0.216 234 P C 1.074 178.287 177.300 -0.145 0.000 1.150 234 P CA 1.135 64.192 63.100 -0.070 0.000 0.843 234 P CB -0.126 31.462 31.700 -0.188 0.000 0.787 235 Y N -2.812 117.520 120.300 0.052 0.000 2.200 235 Y HA -0.169 4.382 4.550 0.002 0.000 0.290 235 Y C 2.302 178.141 175.900 -0.101 0.000 1.137 235 Y CA 1.297 59.374 58.100 -0.037 0.000 1.163 235 Y CB -1.239 37.169 38.460 -0.087 0.000 0.988 235 Y HN -0.021 nan 8.280 nan 0.000 0.518 236 Y N -0.634 119.738 120.300 0.121 0.000 2.314 236 Y HA -0.159 4.392 4.550 0.002 0.000 0.293 236 Y C 2.159 178.078 175.900 0.031 0.000 1.129 236 Y CA 1.021 59.154 58.100 0.054 0.000 1.201 236 Y CB -0.569 37.910 38.460 0.033 0.000 0.999 236 Y HN 0.062 nan 8.280 nan 0.000 0.541 237 L N -0.368 120.944 121.223 0.149 0.000 2.191 237 L HA -0.197 4.144 4.340 0.002 0.000 0.212 237 L C 1.990 178.885 176.870 0.041 0.000 1.103 237 L CA 1.127 56.015 54.840 0.080 0.000 0.769 237 L CB -0.268 41.819 42.059 0.048 0.000 0.908 237 L HN 0.088 nan 8.230 nan 0.000 0.438 238 K N -0.614 119.794 120.400 0.013 0.000 2.356 238 K HA 0.072 4.393 4.320 0.002 0.000 0.195 238 K C 2.029 178.647 176.600 0.030 0.000 1.037 238 K CA 0.391 56.679 56.287 0.003 0.000 1.014 238 K CB 0.076 32.555 32.500 -0.035 0.000 0.815 238 K HN 0.102 nan 8.250 nan 0.000 0.507 239 V N 2.174 122.107 119.914 0.031 0.000 2.252 239 V HA -0.217 3.904 4.120 0.002 0.000 0.249 239 V C -0.861 175.291 176.094 0.096 0.000 1.056 239 V CA 2.032 64.368 62.300 0.059 0.000 1.022 239 V CB -1.232 30.582 31.823 -0.014 0.000 0.641 239 V HN 0.159 nan 8.190 nan 0.000 0.445 240 P HA -0.134 nan 4.420 nan 0.000 0.215 240 P C 1.686 179.028 177.300 0.069 0.000 1.157 240 P CA 1.926 65.070 63.100 0.072 0.000 0.868 240 P CB -0.349 31.389 31.700 0.063 0.000 0.788 241 G N -0.654 108.178 108.800 0.053 0.000 2.422 241 G HA2 -0.207 3.754 3.960 0.002 0.000 0.218 241 G HA3 -0.207 3.754 3.960 0.002 0.000 0.218 241 G C 1.510 176.427 174.900 0.027 0.000 1.140 241 G CA 0.420 45.540 45.100 0.033 0.000 0.775 241 G HN 0.239 nan 8.290 nan 0.000 0.545 242 I N 0.272 120.876 120.570 0.057 0.000 2.353 242 I HA -0.107 4.064 4.170 0.002 0.000 0.248 242 I C 2.682 178.883 176.117 0.141 0.000 1.119 242 I CA 0.286 61.634 61.300 0.080 0.000 1.417 242 I CB -0.061 38.021 38.000 0.137 0.000 1.078 242 I HN 0.017 nan 8.210 nan 0.000 0.421 243 V N 1.047 121.055 119.914 0.157 0.000 2.307 243 V HA -0.270 3.851 4.120 0.002 0.000 0.245 243 V C 2.725 178.888 176.094 0.114 0.000 1.045 243 V CA 1.983 64.382 62.300 0.165 0.000 1.024 243 V CB -0.933 31.001 31.823 0.185 0.000 0.651 243 V HN 0.478 nan 8.190 nan 0.000 0.449 244 A N -0.408 122.457 122.820 0.076 0.000 1.902 244 A HA -0.277 4.044 4.320 0.002 0.000 0.217 244 A C 2.300 179.896 177.584 0.019 0.000 1.181 244 A CA 1.988 54.059 52.037 0.056 0.000 0.623 244 A CB -0.524 18.503 19.000 0.046 0.000 0.818 244 A HN 0.639 nan 8.150 nan 0.000 0.443 245 E N -1.186 118.988 120.200 -0.043 0.000 2.058 245 E HA -0.240 4.111 4.350 0.002 0.000 0.194 245 E C 1.736 178.198 176.600 -0.230 0.000 0.997 245 E CA 1.611 57.905 56.400 -0.176 0.000 0.801 245 E CB -0.291 29.223 29.700 -0.310 0.000 0.746 245 E HN 0.772 nan 8.360 nan 0.000 0.450 246 Y N -0.121 120.179 120.300 -0.000 0.000 2.457 246 Y HA -0.042 4.509 4.550 0.002 0.000 0.292 246 Y C 2.425 178.336 175.900 0.018 0.000 1.125 246 Y CA 0.727 58.820 58.100 -0.011 0.000 1.254 246 Y CB 0.061 38.488 38.460 -0.055 0.000 1.012 246 Y HN 0.079 nan 8.280 nan 0.000 0.555 247 M N -0.575 119.119 119.600 0.158 0.000 2.132 247 M HA -0.272 4.208 4.480 0.002 0.000 0.263 247 M C 2.004 178.394 176.300 0.150 0.000 1.065 247 M CA 1.787 57.195 55.300 0.180 0.000 1.122 247 M CB -0.292 32.421 32.600 0.188 0.000 1.365 247 M HN 0.268 nan 8.290 nan 0.000 0.411 248 Q N 0.106 119.954 119.800 0.081 0.000 2.079 248 Q HA -0.140 4.201 4.340 0.002 0.000 0.200 248 Q C 1.992 178.015 176.000 0.039 0.000 0.974 248 Q CA 1.340 57.169 55.803 0.044 0.000 0.840 248 Q CB -0.002 28.739 28.738 0.006 0.000 0.898 248 Q HN 0.438 nan 8.270 nan 0.000 0.430 249 K N -0.138 120.281 120.400 0.031 0.000 2.025 249 K HA -0.113 4.208 4.320 0.002 0.000 0.207 249 K C 2.069 178.724 176.600 0.091 0.000 1.049 249 K CA 1.349 57.664 56.287 0.047 0.000 0.933 249 K CB -0.096 32.434 32.500 0.050 0.000 0.714 249 K HN 0.012 nan 8.250 nan 0.000 0.438 250 V N 1.424 121.417 119.914 0.131 0.000 2.392 250 V HA -0.265 3.856 4.120 0.002 0.000 0.249 250 V C 2.307 178.472 176.094 0.118 0.000 1.059 250 V CA 2.058 64.438 62.300 0.133 0.000 1.051 250 V CB -0.715 31.200 31.823 0.154 0.000 0.658 250 V HN 0.371 nan 8.190 nan 0.000 0.455 251 A N 0.776 123.661 122.820 0.108 0.000 1.972 251 A HA -0.184 4.137 4.320 0.002 0.000 0.219 251 A C 2.497 180.107 177.584 0.043 0.000 1.169 251 A CA 1.947 54.023 52.037 0.067 0.000 0.635 251 A CB -0.672 18.351 19.000 0.039 0.000 0.810 251 A HN 0.703 nan 8.150 nan 0.000 0.446 252 S N -0.437 115.289 115.700 0.044 0.000 2.442 252 S HA -0.018 4.453 4.470 0.002 0.000 0.236 252 S C 1.669 176.290 174.600 0.035 0.000 1.007 252 S CA 1.373 59.592 58.200 0.031 0.000 0.965 252 S CB -0.436 62.780 63.200 0.026 0.000 0.773 252 S HN 0.478 nan 8.310 nan 0.000 0.504 253 L N 1.100 122.353 121.223 0.050 0.000 2.316 253 L HA 0.090 4.431 4.340 0.002 0.000 0.207 253 L C 2.992 179.892 176.870 0.050 0.000 1.070 253 L CA 1.310 56.181 54.840 0.051 0.000 0.820 253 L CB -0.625 41.473 42.059 0.066 0.000 0.992 253 L HN 0.548 nan 8.230 nan 0.000 0.466 254 T N -4.207 110.383 114.554 0.061 0.000 3.044 254 T HA 0.178 4.529 4.350 0.002 0.000 0.255 254 T C 1.530 176.248 174.700 0.030 0.000 1.073 254 T CA 0.714 62.846 62.100 0.055 0.000 1.125 254 T CB 0.609 69.531 68.868 0.089 0.000 0.908 254 T HN 0.394 nan 8.240 nan 0.000 0.480 255 G N 1.760 110.571 108.800 0.019 0.000 2.176 255 G HA2 -0.232 3.729 3.960 0.002 0.000 0.253 255 G HA3 -0.232 3.729 3.960 0.002 0.000 0.253 255 G C 0.127 175.005 174.900 -0.037 0.000 0.979 255 G CA -0.123 44.976 45.100 -0.003 0.000 0.641 255 G HN 0.669 nan 8.290 nan 0.000 0.530 256 R N 1.072 121.540 120.500 -0.053 0.000 2.239 256 R HA 0.539 4.880 4.340 0.002 0.000 0.332 256 R C -0.269 175.828 176.300 -0.338 0.000 0.988 256 R CA -0.200 55.791 56.100 -0.182 0.000 0.859 256 R CB 1.264 31.493 30.300 -0.118 0.000 1.148 256 R HN 0.187 nan 8.270 nan 0.000 0.482 257 S N 2.285 117.762 115.700 -0.372 0.000 2.616 257 S HA 0.521 4.992 4.470 0.002 0.000 0.277 257 S C -0.857 173.424 174.600 -0.532 0.000 1.234 257 S CA -0.345 57.671 58.200 -0.306 0.000 1.028 257 S CB 0.677 63.805 63.200 -0.121 0.000 0.988 257 S HN 0.359 nan 8.310 nan 0.000 0.522 258 Y N 0.127 120.455 120.300 0.046 0.000 2.588 258 Y HA 0.548 5.099 4.550 0.002 0.000 0.343 258 Y C 0.041 175.968 175.900 0.046 0.000 1.065 258 Y CA -1.104 57.024 58.100 0.047 0.000 1.038 258 Y CB 1.717 40.202 38.460 0.042 0.000 1.297 258 Y HN 0.422 nan 8.280 nan 0.000 0.467 259 K N 0.748 121.284 120.400 0.228 0.000 2.433 259 K HA 0.484 4.805 4.320 0.002 0.000 0.252 259 K C 0.277 176.935 176.600 0.096 0.000 1.015 259 K CA -0.869 55.507 56.287 0.148 0.000 0.860 259 K CB 2.143 34.730 32.500 0.145 0.000 1.359 259 K HN 0.531 nan 8.250 nan 0.000 0.452 260 L N 0.407 121.656 121.223 0.044 0.000 2.079 260 L HA -0.070 4.271 4.340 0.002 0.000 0.210 260 L C 0.124 176.742 176.870 -0.420 0.000 1.081 260 L CA 1.594 56.342 54.840 -0.153 0.000 0.752 260 L CB -0.256 41.740 42.059 -0.105 0.000 0.896 260 L HN 0.390 nan 8.230 nan 0.000 0.433 261 F N -1.162 118.832 119.950 0.075 0.000 2.561 261 F HA 0.405 4.933 4.527 0.002 0.000 0.313 261 F C -0.338 175.530 175.800 0.113 0.000 1.126 261 F CA -1.050 57.010 58.000 0.099 0.000 0.918 261 F CB 1.655 40.701 39.000 0.076 0.000 1.199 261 F HN -0.219 nan 8.300 nan 0.000 0.444 262 D N 1.706 122.283 120.400 0.295 0.000 2.481 262 D HA 0.201 4.842 4.640 0.002 0.000 0.244 262 D C -1.558 174.894 176.300 0.254 0.000 1.057 262 D CA -0.349 53.795 54.000 0.239 0.000 0.848 262 D CB 2.799 43.715 40.800 0.194 0.000 1.388 262 D HN 0.506 nan 8.370 nan 0.000 0.475 263 Y N 1.777 122.141 120.300 0.107 0.000 2.377 263 Y HA 0.461 5.012 4.550 0.002 0.000 0.339 263 Y C -0.739 175.211 175.900 0.083 0.000 1.011 263 Y CA -0.605 57.550 58.100 0.090 0.000 1.093 263 Y CB 1.179 39.670 38.460 0.052 0.000 1.201 263 Y HN 0.167 nan 8.280 nan 0.000 0.455 264 V N 2.991 122.479 119.914 -0.709 0.000 2.925 264 V HA 1.065 5.186 4.120 0.002 0.000 0.311 264 V C -0.197 175.457 176.094 -0.733 0.000 1.104 264 V CA -0.081 61.940 62.300 -0.464 0.000 0.954 264 V CB 1.072 32.789 31.823 -0.175 0.000 1.022 264 V HN 1.464 nan 8.190 nan 0.000 0.427 265 G N 1.670 110.284 108.800 -0.309 0.000 2.318 265 G HA2 0.513 4.474 3.960 0.002 0.000 0.367 265 G HA3 0.513 4.474 3.960 0.002 0.000 0.367 265 G C -0.115 174.844 174.900 0.098 0.000 1.260 265 G CA -0.096 44.919 45.100 -0.141 0.000 1.055 265 G HN 2.232 nan 8.290 nan 0.000 0.484 266 A N 1.139 124.044 122.820 0.141 0.000 2.488 266 A HA 0.643 4.964 4.320 0.002 0.000 0.249 266 A C -0.164 177.568 177.584 0.247 0.000 1.083 266 A CA -0.002 52.130 52.037 0.158 0.000 0.768 266 A CB 0.321 19.376 19.000 0.092 0.000 1.017 266 A HN 0.642 nan 8.150 nan 0.000 0.496 267 P HA -0.116 nan 4.420 nan 0.000 0.225 267 P C 0.101 177.418 177.300 0.030 0.000 1.148 267 P CA 1.311 64.465 63.100 0.089 0.000 0.779 267 P CB 0.127 31.863 31.700 0.060 0.000 0.780 268 D N -1.054 119.379 120.400 0.055 0.000 2.559 268 D HA 0.244 4.885 4.640 0.002 0.000 0.234 268 D C 0.293 176.628 176.300 0.058 0.000 1.226 268 D CA -0.811 53.212 54.000 0.038 0.000 0.830 268 D CB -0.421 40.397 40.800 0.030 0.000 1.028 268 D HN -0.029 nan 8.370 nan 0.000 0.492 269 A N 0.583 123.462 122.820 0.098 0.000 2.498 269 A HA 0.171 4.492 4.320 0.002 0.000 0.239 269 A C 0.908 178.554 177.584 0.104 0.000 1.068 269 A CA -0.084 52.025 52.037 0.120 0.000 0.766 269 A CB 0.423 19.552 19.000 0.217 0.000 1.003 269 A HN 0.245 nan 8.150 nan 0.000 0.497 270 E N 0.789 121.047 120.200 0.097 0.000 2.389 270 E HA 0.049 4.400 4.350 0.002 0.000 0.199 270 E C -0.036 176.638 176.600 0.123 0.000 0.978 270 E CA 0.300 56.755 56.400 0.091 0.000 0.912 270 E CB 0.385 30.126 29.700 0.067 0.000 0.907 270 E HN 0.645 nan 8.360 nan 0.000 0.494 271 R N 1.216 121.812 120.500 0.159 0.000 2.439 271 R HA 0.478 4.818 4.340 0.002 0.000 0.310 271 R C -1.264 175.230 176.300 0.323 0.000 0.955 271 R CA -0.400 55.834 56.100 0.224 0.000 0.853 271 R CB 2.385 32.838 30.300 0.256 0.000 1.171 271 R HN -0.148 nan 8.270 nan 0.000 0.449 272 V N 4.984 125.079 119.914 0.302 0.000 2.735 272 V HA 0.501 4.622 4.120 0.002 0.000 0.310 272 V C -0.132 176.123 176.094 0.268 0.000 1.061 272 V CA -0.790 61.716 62.300 0.343 0.000 0.913 272 V CB 2.426 34.453 31.823 0.340 0.000 1.005 272 V HN 0.632 nan 8.190 nan 0.000 0.428 273 I N 3.462 124.179 120.570 0.245 0.000 2.460 273 I HA 0.535 4.706 4.170 0.002 0.000 0.298 273 I C -0.739 175.515 176.117 0.228 0.000 0.989 273 I CA -0.869 60.519 61.300 0.146 0.000 1.173 273 I CB 2.108 40.111 38.000 0.005 0.000 1.338 273 I HN 0.259 nan 8.210 nan 0.000 0.456 274 V N 4.827 124.890 119.914 0.249 0.000 2.409 274 V HA 0.487 4.608 4.120 0.002 0.000 0.291 274 V C -0.187 176.069 176.094 0.270 0.000 1.020 274 V CA -0.160 62.340 62.300 0.334 0.000 0.848 274 V CB 1.456 33.544 31.823 0.443 0.000 0.990 274 V HN 0.807 nan 8.190 nan 0.000 0.430 275 S N 4.557 120.418 115.700 0.267 0.000 2.685 275 S HA 0.880 5.351 4.470 0.002 0.000 0.282 275 S C -1.134 173.636 174.600 0.283 0.000 1.159 275 S CA -0.657 57.679 58.200 0.228 0.000 0.833 275 S CB 1.963 65.219 63.200 0.093 0.000 1.151 275 S HN 0.732 nan 8.310 nan 0.000 0.485 276 M N 1.685 121.472 119.600 0.312 0.000 2.378 276 M HA 0.611 5.092 4.480 0.002 0.000 0.289 276 M C -0.266 176.267 176.300 0.390 0.000 1.136 276 M CA 0.675 56.168 55.300 0.322 0.000 0.917 276 M CB 1.447 34.251 32.600 0.339 0.000 1.669 276 M HN 1.167 nan 8.290 nan 0.000 0.461 277 G N 1.714 110.676 108.800 0.269 0.000 2.627 277 G HA2 -0.231 3.730 3.960 0.002 0.000 0.214 277 G HA3 -0.231 3.730 3.960 0.002 0.000 0.214 277 G C 0.266 175.314 174.900 0.248 0.000 1.331 277 G CA 0.154 45.429 45.100 0.292 0.000 0.891 277 G HN 1.389 nan 8.290 nan 0.000 0.539 278 S N -0.493 115.362 115.700 0.257 0.000 2.440 278 S HA -0.147 4.324 4.470 0.002 0.000 0.240 278 S C 2.625 177.369 174.600 0.239 0.000 1.014 278 S CA 2.594 60.930 58.200 0.227 0.000 0.980 278 S CB -0.724 62.610 63.200 0.223 0.000 0.775 278 S HN 2.310 nan 8.310 nan 0.000 0.499 279 S N 0.983 116.839 115.700 0.259 0.000 2.400 279 S HA -0.149 4.322 4.470 0.002 0.000 0.232 279 S C 1.950 176.696 174.600 0.244 0.000 1.025 279 S CA 1.020 59.380 58.200 0.267 0.000 0.993 279 S CB -1.537 61.619 63.200 -0.074 0.000 0.808 279 S HN 0.691 nan 8.310 nan 0.000 0.478 280 C N 1.938 121.355 119.300 0.196 0.000 2.411 280 C HA 0.006 4.467 4.460 0.002 0.000 0.279 280 C C 2.974 178.061 174.990 0.163 0.000 1.288 280 C CA 0.659 59.782 59.018 0.174 0.000 1.764 280 C CB -1.185 26.654 27.740 0.165 0.000 1.974 280 C HN 0.590 nan 8.230 nan 0.000 0.498 281 E N 0.511 120.810 120.200 0.165 0.000 2.051 281 E HA -0.143 4.208 4.350 0.002 0.000 0.192 281 E C 2.246 178.938 176.600 0.154 0.000 0.991 281 E CA 1.631 58.115 56.400 0.140 0.000 0.799 281 E CB -0.753 29.024 29.700 0.127 0.000 0.748 281 E HN 0.583 nan 8.360 nan 0.000 0.449 282 T N 1.677 116.351 114.554 0.200 0.000 2.821 282 T HA -0.059 4.292 4.350 0.002 0.000 0.267 282 T C 2.130 176.910 174.700 0.132 0.000 1.046 282 T CA 0.748 62.970 62.100 0.203 0.000 1.139 282 T CB -0.174 68.828 68.868 0.224 0.000 0.871 282 T HN 0.085 nan 8.240 nan 0.000 0.454 283 I N 0.897 121.564 120.570 0.162 0.000 2.226 283 I HA -0.164 4.007 4.170 0.002 0.000 0.245 283 I C 2.710 178.917 176.117 0.151 0.000 1.100 283 I CA 1.375 62.774 61.300 0.165 0.000 1.374 283 I CB -0.307 37.813 38.000 0.200 0.000 1.057 283 I HN 0.313 nan 8.210 nan 0.000 0.413 284 E N 0.975 121.248 120.200 0.123 0.000 2.110 284 E HA -0.294 4.057 4.350 0.002 0.000 0.193 284 E C 2.126 178.775 176.600 0.081 0.000 0.988 284 E CA 1.300 57.750 56.400 0.083 0.000 0.804 284 E CB -0.011 29.727 29.700 0.062 0.000 0.745 284 E HN 0.447 nan 8.360 nan 0.000 0.458 285 E N -0.089 120.170 120.200 0.098 0.000 2.058 285 E HA -0.191 4.159 4.350 0.002 0.000 0.194 285 E C 2.080 178.749 176.600 0.115 0.000 0.997 285 E CA 1.500 57.961 56.400 0.101 0.000 0.801 285 E CB 0.118 29.898 29.700 0.134 0.000 0.746 285 E HN 0.176 nan 8.360 nan 0.000 0.450 286 V N 1.309 121.295 119.914 0.121 0.000 2.358 286 V HA -0.260 3.861 4.120 0.002 0.000 0.246 286 V C 2.387 178.567 176.094 0.143 0.000 1.047 286 V CA 1.561 63.953 62.300 0.155 0.000 1.035 286 V CB -0.386 31.528 31.823 0.152 0.000 0.658 286 V HN 0.341 nan 8.190 nan 0.000 0.452 287 I N 0.567 121.190 120.570 0.089 0.000 2.163 287 I HA -0.266 3.905 4.170 0.002 0.000 0.243 287 I C 2.402 178.532 176.117 0.022 0.000 1.085 287 I CA 1.600 62.904 61.300 0.006 0.000 1.347 287 I CB -0.566 37.431 38.000 -0.004 0.000 1.044 287 I HN 0.378 nan 8.210 nan 0.000 0.408 288 N N -0.095 118.634 118.700 0.049 0.000 2.104 288 N HA -0.251 4.490 4.740 0.002 0.000 0.190 288 N C 1.833 177.375 175.510 0.053 0.000 1.024 288 N CA 1.339 54.413 53.050 0.040 0.000 0.853 288 N CB -0.702 37.812 38.487 0.044 0.000 1.008 288 N HN 0.482 nan 8.380 nan 0.000 0.424 289 H N 0.977 120.052 119.070 0.008 0.000 2.299 289 H HA 0.067 4.624 4.556 0.002 0.000 0.302 289 H C 2.052 177.386 175.328 0.010 0.000 1.078 289 H CA 1.009 57.060 56.048 0.005 0.000 1.323 289 H CB -0.116 29.649 29.762 0.004 0.000 1.381 289 H HN 0.120 nan 8.280 nan 0.000 0.498 290 L N 0.248 121.578 121.223 0.178 0.000 2.141 290 L HA -0.078 4.263 4.340 0.002 0.000 0.209 290 L C 3.064 179.919 176.870 -0.025 0.000 1.094 290 L CA 0.804 55.698 54.840 0.089 0.000 0.763 290 L CB -0.504 41.586 42.059 0.051 0.000 0.908 290 L HN 0.261 nan 8.230 nan 0.000 0.437 291 A N 0.273 123.070 122.820 -0.037 0.000 1.933 291 A HA -0.129 4.192 4.320 0.002 0.000 0.218 291 A C 2.437 179.993 177.584 -0.047 0.000 1.175 291 A CA 1.498 53.510 52.037 -0.043 0.000 0.628 291 A CB -0.575 18.406 19.000 -0.031 0.000 0.814 291 A HN 0.377 nan 8.150 nan 0.000 0.444 292 A N -0.725 122.052 122.820 -0.072 0.000 2.216 292 A HA -0.038 4.282 4.320 0.002 0.000 0.214 292 A C 1.688 179.216 177.584 -0.092 0.000 1.160 292 A CA 1.372 53.356 52.037 -0.087 0.000 0.725 292 A CB -0.296 18.626 19.000 -0.129 0.000 0.784 292 A HN 0.526 nan 8.150 nan 0.000 0.472 293 K N -1.686 118.663 120.400 -0.085 0.000 2.414 293 K HA 0.324 4.645 4.320 0.002 0.000 0.204 293 K C 1.002 177.583 176.600 -0.032 0.000 1.026 293 K CA 0.380 56.630 56.287 -0.061 0.000 1.108 293 K CB 0.381 32.847 32.500 -0.057 0.000 0.855 293 K HN 0.505 nan 8.250 nan 0.000 0.517 294 G N 1.468 110.250 108.800 -0.030 0.000 2.241 294 G HA2 -0.279 3.682 3.960 0.002 0.000 0.244 294 G HA3 -0.279 3.682 3.960 0.002 0.000 0.244 294 G C -0.183 174.707 174.900 -0.017 0.000 0.998 294 G CA -0.247 44.842 45.100 -0.018 0.000 0.621 294 G HN 0.379 nan 8.290 nan 0.000 0.519 295 E N 1.156 121.340 120.200 -0.027 0.000 2.415 295 E HA 0.250 4.601 4.350 0.002 0.000 0.263 295 E C 0.079 176.652 176.600 -0.045 0.000 0.995 295 E CA 0.296 56.672 56.400 -0.040 0.000 0.915 295 E CB 0.378 30.038 29.700 -0.067 0.000 0.951 295 E HN 0.323 nan 8.360 nan 0.000 0.449 296 K N 4.648 125.033 120.400 -0.025 0.000 2.231 296 K HA 0.274 4.595 4.320 0.002 0.000 0.255 296 K C -0.058 176.542 176.600 -0.000 0.000 1.108 296 K CA -0.058 56.230 56.287 0.002 0.000 0.997 296 K CB -0.261 32.255 32.500 0.026 0.000 1.549 296 K HN 0.410 nan 8.250 nan 0.000 0.419 297 I N -2.426 118.113 120.570 -0.051 0.000 2.934 297 I HA 0.829 5.000 4.170 0.002 0.000 0.306 297 I C -0.134 175.997 176.117 0.023 0.000 1.110 297 I CA -1.065 60.185 61.300 -0.082 0.000 1.019 297 I CB 2.416 40.078 38.000 -0.562 0.000 1.227 297 I HN 0.358 nan 8.210 nan 0.000 0.434 298 G N 2.638 111.540 108.800 0.170 0.000 2.687 298 G HA2 0.687 4.648 3.960 0.002 0.000 0.291 298 G HA3 0.687 4.648 3.960 0.002 0.000 0.291 298 G C -2.247 172.747 174.900 0.156 0.000 1.420 298 G CA -0.743 44.417 45.100 0.101 0.000 0.796 298 G HN 0.745 nan 8.290 nan 0.000 0.485 299 L N -0.411 120.737 121.223 -0.125 0.000 2.455 299 L HA 0.749 5.090 4.340 0.002 0.000 0.264 299 L C -1.381 175.517 176.870 0.048 0.000 0.968 299 L CA -0.681 54.189 54.840 0.050 0.000 0.827 299 L CB 1.924 44.023 42.059 0.067 0.000 1.317 299 L HN 0.486 nan 8.230 nan 0.000 0.407 300 I N 4.570 125.284 120.570 0.240 0.000 2.330 300 I HA 0.368 4.539 4.170 0.002 0.000 0.289 300 I C -0.313 175.995 176.117 0.318 0.000 1.001 300 I CA -0.658 60.828 61.300 0.310 0.000 1.193 300 I CB 1.239 39.438 38.000 0.332 0.000 1.345 300 I HN 0.551 nan 8.210 nan 0.000 0.461 301 K N 5.667 126.235 120.400 0.280 0.000 2.227 301 K HA 0.434 4.755 4.320 0.002 0.000 0.280 301 K C -0.748 176.026 176.600 0.291 0.000 1.041 301 K CA -0.601 55.839 56.287 0.256 0.000 0.905 301 K CB 1.901 34.515 32.500 0.190 0.000 1.068 301 K HN 0.299 nan 8.250 nan 0.000 0.470 302 V N 4.886 124.969 119.914 0.283 0.000 2.385 302 V HA 0.127 4.248 4.120 0.002 0.000 0.269 302 V C 0.793 176.894 176.094 0.011 0.000 1.043 302 V CA -0.282 62.127 62.300 0.181 0.000 0.906 302 V CB 0.978 33.023 31.823 0.369 0.000 0.995 302 V HN 0.708 nan 8.190 nan 0.000 0.467 303 R N 3.339 123.737 120.500 -0.169 0.000 2.056 303 R HA 0.305 4.646 4.340 0.002 0.000 0.215 303 R C 0.325 176.547 176.300 -0.130 0.000 1.205 303 R CA 0.166 56.187 56.100 -0.132 0.000 1.020 303 R CB -0.217 30.012 30.300 -0.117 0.000 0.911 303 R HN 0.538 nan 8.270 nan 0.000 0.451 304 L N 1.576 122.650 121.223 -0.249 0.000 2.282 304 L HA 0.183 4.524 4.340 0.002 0.000 0.287 304 L C 0.196 177.005 176.870 -0.101 0.000 1.075 304 L CA -0.107 54.654 54.840 -0.131 0.000 0.839 304 L CB 0.686 42.661 42.059 -0.139 0.000 1.219 304 L HN 0.226 nan 8.230 nan 0.000 0.434 305 Y N 4.970 125.291 120.300 0.035 0.000 2.365 305 Y HA 0.278 4.829 4.550 0.002 0.000 0.293 305 Y C 0.413 176.473 175.900 0.267 0.000 1.119 305 Y CA 0.648 58.882 58.100 0.222 0.000 1.203 305 Y CB 0.339 38.980 38.460 0.301 0.000 1.026 305 Y HN 0.417 nan 8.280 nan 0.000 0.549 306 R N 0.485 121.000 120.500 0.026 0.000 2.533 306 R HA 0.332 4.673 4.340 0.002 0.000 0.288 306 R C -3.034 173.238 176.300 -0.046 0.000 1.039 306 R CA -2.339 53.731 56.100 -0.050 0.000 0.909 306 R CB 1.491 31.773 30.300 -0.031 0.000 1.195 306 R HN -0.013 nan 8.270 nan 0.000 0.438 307 P HA 0.098 nan 4.420 nan 0.000 0.271 307 P C -0.636 176.703 177.300 0.066 0.000 1.218 307 P CA -0.157 62.973 63.100 0.050 0.000 0.780 307 P CB 0.370 32.127 31.700 0.096 0.000 0.901 308 F N 3.610 123.523 119.950 -0.061 0.000 2.375 308 F HA 0.262 4.790 4.527 0.002 0.000 0.362 308 F C -0.419 175.436 175.800 0.091 0.000 1.129 308 F CA -0.364 57.642 58.000 0.010 0.000 1.154 308 F CB 0.401 39.337 39.000 -0.107 0.000 1.205 308 F HN -0.057 nan 8.300 nan 0.000 0.513 309 V N 6.775 126.673 119.914 -0.026 0.000 2.320 309 V HA 0.073 4.194 4.120 0.002 0.000 0.265 309 V C 0.878 176.938 176.094 -0.057 0.000 1.048 309 V CA -0.011 62.319 62.300 0.051 0.000 0.865 309 V CB 0.558 32.444 31.823 0.105 0.000 1.043 309 V HN 0.940 nan 8.190 nan 0.000 0.474 310 S N 2.919 118.626 115.700 0.011 0.000 2.383 310 S HA -0.213 4.258 4.470 0.002 0.000 0.229 310 S C 1.883 176.485 174.600 0.003 0.000 1.030 310 S CA 1.783 59.950 58.200 -0.055 0.000 1.002 310 S CB -0.061 63.200 63.200 0.102 0.000 0.829 310 S HN 0.913 nan 8.310 nan 0.000 0.467 311 E N 1.140 121.404 120.200 0.107 0.000 2.085 311 E HA -0.162 4.189 4.350 0.002 0.000 0.194 311 E C 2.072 178.723 176.600 0.086 0.000 0.994 311 E CA 1.067 57.554 56.400 0.146 0.000 0.801 311 E CB -0.221 29.543 29.700 0.107 0.000 0.743 311 E HN 0.508 nan 8.360 nan 0.000 0.453 312 A N 0.343 123.202 122.820 0.065 0.000 1.968 312 A HA -0.122 4.199 4.320 0.002 0.000 0.217 312 A C 1.922 179.466 177.584 -0.067 0.000 1.169 312 A CA 0.964 53.077 52.037 0.126 0.000 0.638 312 A CB -0.723 18.478 19.000 0.334 0.000 0.812 312 A HN 0.509 nan 8.150 nan 0.000 0.446 313 F N -0.215 119.287 119.950 -0.747 0.000 2.102 313 F HA -0.120 4.408 4.527 0.002 0.000 0.298 313 F C 1.849 177.291 175.800 -0.596 0.000 1.105 313 F CA 1.583 58.827 58.000 -1.260 0.000 1.239 313 F CB -0.452 37.623 39.000 -1.542 0.000 0.991 313 F HN 0.223 nan 8.300 nan 0.000 0.474 314 F N 0.294 120.043 119.950 -0.335 0.000 2.234 314 F HA -0.080 4.448 4.527 0.002 0.000 0.299 314 F C 2.527 178.162 175.800 -0.273 0.000 1.087 314 F CA 0.639 58.435 58.000 -0.340 0.000 1.340 314 F CB -0.752 38.147 39.000 -0.169 0.000 1.031 314 F HN 0.090 nan 8.300 nan 0.000 0.500 315 A N -0.193 122.616 122.820 -0.018 0.000 2.125 315 A HA 0.023 4.344 4.320 0.002 0.000 0.219 315 A C 2.090 179.636 177.584 -0.063 0.000 1.156 315 A CA 1.499 53.527 52.037 -0.015 0.000 0.671 315 A CB -0.773 18.244 19.000 0.028 0.000 0.794 315 A HN 0.289 nan 8.150 nan 0.000 0.459 316 A N -1.410 121.325 122.820 -0.142 0.000 2.348 316 A HA 0.504 4.825 4.320 0.002 0.000 0.224 316 A C 0.631 178.060 177.584 -0.258 0.000 1.227 316 A CA -0.217 51.756 52.037 -0.107 0.000 0.885 316 A CB -0.024 18.992 19.000 0.026 0.000 0.933 316 A HN 0.406 nan 8.150 nan 0.000 0.506 317 L N 1.810 122.830 121.223 -0.338 0.000 2.265 317 L HA 0.382 4.723 4.340 0.002 0.000 0.288 317 L C -2.663 174.056 176.870 -0.252 0.000 1.058 317 L CA -2.112 52.544 54.840 -0.307 0.000 0.809 317 L CB 1.710 43.613 42.059 -0.260 0.000 1.179 317 L HN 0.037 nan 8.230 nan 0.000 0.429 318 P HA 0.093 nan 4.420 nan 0.000 0.271 318 P C 0.170 177.422 177.300 -0.081 0.000 1.220 318 P CA -0.135 62.813 63.100 -0.253 0.000 0.768 318 P CB 1.217 32.749 31.700 -0.279 0.000 0.848 319 A N 2.935 125.720 122.820 -0.058 0.000 2.076 319 A HA -0.164 4.157 4.320 0.002 0.000 0.220 319 A C 1.909 179.501 177.584 0.014 0.000 1.160 319 A CA 1.967 53.997 52.037 -0.011 0.000 0.653 319 A CB -1.206 17.782 19.000 -0.021 0.000 0.801 319 A HN 0.584 nan 8.150 nan 0.000 0.455 320 S N -0.375 115.328 115.700 0.006 0.000 2.561 320 S HA 0.429 4.900 4.470 0.002 0.000 0.225 320 S C 0.967 175.597 174.600 0.051 0.000 0.977 320 S CA 0.262 58.477 58.200 0.026 0.000 0.926 320 S CB -0.619 62.593 63.200 0.020 0.000 0.769 320 S HN 0.897 nan 8.310 nan 0.000 0.533 321 A N 1.693 124.553 122.820 0.066 0.000 2.522 321 A HA 0.323 4.644 4.320 0.002 0.000 0.256 321 A C 1.027 178.668 177.584 0.095 0.000 1.086 321 A CA -0.195 51.903 52.037 0.103 0.000 0.763 321 A CB 0.160 19.245 19.000 0.141 0.000 1.024 321 A HN 0.494 nan 8.150 nan 0.000 0.502 322 K N 1.346 121.796 120.400 0.083 0.000 2.365 322 K HA 0.257 4.578 4.320 0.002 0.000 0.195 322 K C -0.536 176.093 176.600 0.050 0.000 1.079 322 K CA 0.525 56.848 56.287 0.059 0.000 0.979 322 K CB 0.713 33.243 32.500 0.050 0.000 0.929 322 K HN 0.525 nan 8.250 nan 0.000 0.523 323 V N 2.156 122.114 119.914 0.073 0.000 2.686 323 V HA 0.435 4.556 4.120 0.002 0.000 0.306 323 V C -0.865 175.293 176.094 0.106 0.000 1.065 323 V CA -0.826 61.515 62.300 0.068 0.000 0.894 323 V CB 2.155 34.022 31.823 0.073 0.000 1.004 323 V HN 0.055 nan 8.190 nan 0.000 0.424 324 I N 2.679 123.304 120.570 0.092 0.000 2.466 324 I HA 0.502 4.673 4.170 0.002 0.000 0.289 324 I C -0.317 175.885 176.117 0.143 0.000 1.026 324 I CA -0.270 61.120 61.300 0.150 0.000 1.078 324 I CB 2.527 40.641 38.000 0.190 0.000 1.249 324 I HN 0.518 nan 8.210 nan 0.000 0.429 325 T N 5.418 120.063 114.554 0.152 0.000 2.770 325 T HA 0.434 4.785 4.350 0.002 0.000 0.283 325 T C -0.265 174.525 174.700 0.151 0.000 0.988 325 T CA -0.445 61.738 62.100 0.139 0.000 0.957 325 T CB 1.606 70.557 68.868 0.139 0.000 0.930 325 T HN 0.172 nan 8.240 nan 0.000 0.443 326 V N 5.581 125.586 119.914 0.151 0.000 2.350 326 V HA 0.397 4.518 4.120 0.002 0.000 0.276 326 V C -0.026 176.119 176.094 0.086 0.000 1.028 326 V CA -0.779 61.631 62.300 0.183 0.000 0.860 326 V CB 0.859 32.848 31.823 0.276 0.000 0.990 326 V HN 0.732 nan 8.190 nan 0.000 0.453 327 L N 4.728 126.011 121.223 0.100 0.000 2.275 327 L HA 0.562 4.903 4.340 0.002 0.000 0.288 327 L C -0.164 176.860 176.870 0.257 0.000 1.046 327 L CA -0.196 54.695 54.840 0.086 0.000 0.805 327 L CB 1.188 43.182 42.059 -0.108 0.000 1.193 327 L HN 0.569 nan 8.230 nan 0.000 0.426 328 D N 2.740 123.262 120.400 0.204 0.000 2.256 328 D HA 0.197 4.838 4.640 0.002 0.000 0.246 328 D C -0.197 176.073 176.300 -0.051 0.000 1.042 328 D CA -0.502 53.600 54.000 0.170 0.000 0.841 328 D CB 2.461 43.294 40.800 0.056 0.000 1.223 328 D HN 0.379 nan 8.370 nan 0.000 0.470 329 R N 1.723 122.101 120.500 -0.203 0.000 4.141 329 R HA 0.193 4.534 4.340 0.002 0.000 0.281 329 R C -0.319 175.812 176.300 -0.282 0.000 1.608 329 R CA 0.032 55.708 56.100 -0.707 0.000 1.426 329 R CB 0.138 29.730 30.300 -1.179 0.000 1.432 329 R HN 0.339 nan 8.270 nan 0.000 0.708 330 T N -0.907 113.589 114.554 -0.096 0.000 2.665 330 T HA 0.310 4.661 4.350 0.002 0.000 0.303 330 T C -2.003 172.672 174.700 -0.041 0.000 1.334 330 T CA -0.738 61.363 62.100 0.002 0.000 1.011 330 T CB 1.450 70.445 68.868 0.212 0.000 1.573 330 T HN 0.203 nan 8.240 nan 0.000 0.492 331 K N 1.725 122.111 120.400 -0.023 0.000 2.619 331 K HA 0.368 4.689 4.320 0.002 0.000 0.251 331 K C -1.513 175.070 176.600 -0.029 0.000 0.987 331 K CA -0.384 55.880 56.287 -0.038 0.000 0.844 331 K CB 1.310 33.790 32.500 -0.033 0.000 1.237 331 K HN 0.624 nan 8.250 nan 0.000 0.447 332 E N 5.094 125.267 120.200 -0.046 0.000 2.256 332 E HA 0.232 4.583 4.350 0.002 0.000 0.243 332 E C -2.492 174.085 176.600 -0.038 0.000 0.925 332 E CA -2.025 54.351 56.400 -0.040 0.000 0.748 332 E CB 1.319 30.983 29.700 -0.058 0.000 1.206 332 E HN 0.370 nan 8.360 nan 0.000 0.428 333 P HA -0.072 nan 4.420 nan 0.000 0.260 333 P C 0.912 178.194 177.300 -0.031 0.000 1.172 333 P CA 0.959 64.043 63.100 -0.028 0.000 0.760 333 P CB 0.520 32.212 31.700 -0.013 0.000 0.773 334 G N 1.931 110.706 108.800 -0.041 0.000 2.225 334 G HA2 -0.214 3.747 3.960 0.002 0.000 0.254 334 G HA3 -0.214 3.747 3.960 0.002 0.000 0.254 334 G C 0.489 175.362 174.900 -0.046 0.000 0.988 334 G CA 0.017 45.092 45.100 -0.042 0.000 0.625 334 G HN 0.873 nan 8.290 nan 0.000 0.527 335 A N 1.059 123.850 122.820 -0.047 0.000 2.386 335 A HA 0.656 4.977 4.320 0.002 0.000 0.248 335 A C 0.145 177.700 177.584 -0.049 0.000 1.082 335 A CA -0.100 51.913 52.037 -0.040 0.000 0.789 335 A CB 0.440 19.417 19.000 -0.038 0.000 1.025 335 A HN 0.226 nan 8.150 nan 0.000 0.490 336 P HA 0.128 nan 4.420 nan 0.000 0.233 336 P C 0.524 177.860 177.300 0.061 0.000 1.167 336 P CA 1.376 64.469 63.100 -0.012 0.000 0.770 336 P CB 0.176 31.895 31.700 0.032 0.000 0.837 337 G N -0.802 108.053 108.800 0.090 0.000 2.387 337 G HA2 0.187 4.148 3.960 0.002 0.000 0.294 337 G HA3 0.187 4.148 3.960 0.002 0.000 0.294 337 G C -1.911 173.044 174.900 0.092 0.000 1.509 337 G CA -0.625 44.584 45.100 0.182 0.000 0.806 337 G HN -0.209 nan 8.290 nan 0.000 0.546 338 D N 0.621 121.047 120.400 0.044 0.000 2.358 338 D HA 0.306 4.946 4.640 0.002 0.000 0.244 338 D C -1.224 175.018 176.300 -0.098 0.000 1.163 338 D CA -1.205 52.750 54.000 -0.075 0.000 0.945 338 D CB 1.613 42.348 40.800 -0.109 0.000 1.152 338 D HN -0.014 nan 8.370 nan 0.000 0.451 339 P HA -0.200 nan 4.420 nan 0.000 0.216 339 P C 1.557 178.806 177.300 -0.086 0.000 1.167 339 P CA 0.906 63.807 63.100 -0.332 0.000 0.914 339 P CB 0.162 31.324 31.700 -0.897 0.000 0.793 340 L N -2.054 119.166 121.223 -0.004 0.000 2.056 340 L HA -0.155 4.186 4.340 0.002 0.000 0.207 340 L C 2.433 179.361 176.870 0.096 0.000 1.078 340 L CA 1.661 56.624 54.840 0.204 0.000 0.749 340 L CB -1.639 40.614 42.059 0.324 0.000 0.901 340 L HN -0.064 nan 8.230 nan 0.000 0.433 341 Y N -0.207 120.079 120.300 -0.022 0.000 2.128 341 Y HA -0.257 4.294 4.550 0.002 0.000 0.284 341 Y C 2.194 178.051 175.900 -0.071 0.000 1.154 341 Y CA 2.072 60.150 58.100 -0.037 0.000 1.149 341 Y CB -0.462 37.969 38.460 -0.047 0.000 0.976 341 Y HN 0.185 nan 8.280 nan 0.000 0.505 342 L N -0.092 121.021 121.223 -0.182 0.000 2.083 342 L HA -0.219 4.122 4.340 0.002 0.000 0.209 342 L C 2.092 178.758 176.870 -0.340 0.000 1.083 342 L CA 1.462 56.125 54.840 -0.295 0.000 0.752 342 L CB -0.643 41.336 42.059 -0.134 0.000 0.899 342 L HN 0.227 nan 8.230 nan 0.000 0.433 343 D N -0.208 119.965 120.400 -0.378 0.000 2.097 343 D HA -0.134 4.507 4.640 0.002 0.000 0.197 343 D C 2.365 178.263 176.300 -0.669 0.000 0.984 343 D CA 1.098 54.689 54.000 -0.682 0.000 0.826 343 D CB -0.192 39.922 40.800 -1.144 0.000 0.973 343 D HN 0.091 nan 8.370 nan 0.000 0.460 344 V N 0.757 120.380 119.914 -0.484 0.000 2.343 344 V HA -0.264 3.857 4.120 0.002 0.000 0.247 344 V C 2.733 178.742 176.094 -0.143 0.000 1.051 344 V CA 1.218 63.290 62.300 -0.379 0.000 1.036 344 V CB -0.556 31.156 31.823 -0.184 0.000 0.654 344 V HN 0.280 nan 8.190 nan 0.000 0.451 345 C N 0.699 119.852 119.300 -0.245 0.000 2.413 345 C HA -0.164 4.297 4.460 0.002 0.000 0.276 345 C C 3.305 178.271 174.990 -0.040 0.000 1.248 345 C CA 1.617 60.537 59.018 -0.163 0.000 1.742 345 C CB -1.136 26.356 27.740 -0.414 0.000 2.017 345 C HN 0.785 nan 8.230 nan 0.000 0.481 346 S N 1.572 117.191 115.700 -0.135 0.000 2.399 346 S HA -0.094 4.377 4.470 0.002 0.000 0.231 346 S C 1.943 176.537 174.600 -0.010 0.000 1.022 346 S CA 1.466 59.618 58.200 -0.080 0.000 0.983 346 S CB -0.489 62.627 63.200 -0.139 0.000 0.803 346 S HN 0.620 nan 8.310 nan 0.000 0.480 347 A N 1.041 123.824 122.820 -0.061 0.000 1.902 347 A HA 0.120 4.441 4.320 0.002 0.000 0.217 347 A C 1.917 179.619 177.584 0.196 0.000 1.181 347 A CA 1.369 53.392 52.037 -0.024 0.000 0.623 347 A CB -1.092 17.662 19.000 -0.411 0.000 0.818 347 A HN 0.569 nan 8.150 nan 0.000 0.443 348 F N -0.444 119.655 119.950 0.248 0.000 2.186 348 F HA -0.105 4.423 4.527 0.002 0.000 0.299 348 F C 2.405 178.289 175.800 0.140 0.000 1.090 348 F CA 1.311 59.484 58.000 0.290 0.000 1.307 348 F CB -0.313 38.806 39.000 0.198 0.000 1.019 348 F HN 0.024 nan 8.300 nan 0.000 0.489 349 V N -0.006 120.056 119.914 0.247 0.000 2.358 349 V HA -0.295 3.826 4.120 0.002 0.000 0.246 349 V C 2.297 178.452 176.094 0.102 0.000 1.047 349 V CA 2.233 64.615 62.300 0.135 0.000 1.035 349 V CB -0.548 31.319 31.823 0.074 0.000 0.658 349 V HN 0.340 nan 8.190 nan 0.000 0.452 350 E N 0.349 120.609 120.200 0.100 0.000 2.106 350 E HA -0.247 4.104 4.350 0.002 0.000 0.192 350 E C 2.387 179.025 176.600 0.064 0.000 0.984 350 E CA 1.163 57.608 56.400 0.076 0.000 0.806 350 E CB -0.173 29.574 29.700 0.078 0.000 0.750 350 E HN 0.471 nan 8.360 nan 0.000 0.458 351 R N -0.098 120.446 120.500 0.073 0.000 2.096 351 R HA -0.109 4.232 4.340 0.002 0.000 0.235 351 R C 1.321 177.603 176.300 -0.030 0.000 1.127 351 R CA 1.336 57.407 56.100 -0.048 0.000 0.968 351 R CB -0.470 29.674 30.300 -0.260 0.000 0.861 351 R HN 0.337 nan 8.270 nan 0.000 0.440 352 G N 0.257 109.074 108.800 0.028 0.000 2.225 352 G HA2 -0.311 3.650 3.960 0.002 0.000 0.267 352 G HA3 -0.311 3.650 3.960 0.002 0.000 0.267 352 G C -0.224 174.684 174.900 0.014 0.000 1.024 352 G CA 1.062 46.179 45.100 0.028 0.000 0.784 352 G HN 0.557 nan 8.290 nan 0.000 0.507 353 E N -0.370 119.837 120.200 0.012 0.000 3.846 353 E HA 0.705 5.056 4.350 0.002 0.000 0.262 353 E C 1.170 177.800 176.600 0.050 0.000 0.786 353 E CA -0.478 55.924 56.400 0.003 0.000 1.620 353 E CB 0.191 29.859 29.700 -0.054 0.000 1.928 353 E HN 0.670 nan 8.360 nan 0.000 0.410 354 A N 1.273 124.127 122.820 0.056 0.000 2.498 354 A HA 0.204 4.525 4.320 0.002 0.000 0.239 354 A C -0.208 177.467 177.584 0.152 0.000 1.068 354 A CA 0.448 52.536 52.037 0.085 0.000 0.766 354 A CB 0.021 19.069 19.000 0.080 0.000 1.003 354 A HN 0.301 nan 8.150 nan 0.000 0.497 355 M N 4.742 124.396 119.600 0.090 0.000 2.065 355 M HA 0.261 4.742 4.480 0.002 0.000 0.308 355 M C -2.191 174.082 176.300 -0.045 0.000 0.939 355 M CA -2.014 53.310 55.300 0.041 0.000 0.890 355 M CB 0.324 32.943 32.600 0.033 0.000 1.383 355 M HN 0.597 nan 8.290 nan 0.000 0.381 356 P HA 0.212 nan 4.420 nan 0.000 0.273 356 P C -0.443 176.770 177.300 -0.145 0.000 1.250 356 P CA -0.450 62.593 63.100 -0.096 0.000 0.793 356 P CB 0.990 32.648 31.700 -0.069 0.000 1.011 357 K N 1.027 121.386 120.400 -0.068 0.000 2.379 357 K HA 0.217 4.538 4.320 0.002 0.000 0.284 357 K C -0.393 176.172 176.600 -0.059 0.000 1.044 357 K CA 0.098 56.357 56.287 -0.047 0.000 0.974 357 K CB -0.438 32.061 32.500 -0.003 0.000 0.962 357 K HN 0.254 nan 8.250 nan 0.000 0.474 358 I N 6.873 127.411 120.570 -0.053 0.000 2.362 358 I HA 0.320 4.491 4.170 0.002 0.000 0.289 358 I C -0.330 175.842 176.117 0.092 0.000 0.994 358 I CA -0.671 60.631 61.300 0.004 0.000 1.158 358 I CB 0.762 38.742 38.000 -0.034 0.000 1.315 358 I HN 0.559 nan 8.210 nan 0.000 0.451 359 L N 4.903 126.178 121.223 0.087 0.000 2.342 359 L HA 0.794 5.135 4.340 0.002 0.000 0.271 359 L C 0.124 176.909 176.870 -0.141 0.000 1.008 359 L CA -0.791 54.040 54.840 -0.014 0.000 0.818 359 L CB 2.192 44.298 42.059 0.078 0.000 1.296 359 L HN 0.659 nan 8.230 nan 0.000 0.427 360 A N 1.307 123.796 122.820 -0.552 0.000 2.317 360 A HA 0.869 5.190 4.320 0.002 0.000 0.327 360 A C -0.134 176.914 177.584 -0.894 0.000 1.178 360 A CA -0.328 51.244 52.037 -0.775 0.000 0.817 360 A CB 1.356 19.516 19.000 -1.399 0.000 1.189 360 A HN 0.775 nan 8.150 nan 0.000 0.489 361 G N 0.877 109.146 108.800 -0.886 0.000 2.638 361 G HA2 0.577 4.538 3.960 0.002 0.000 0.302 361 G HA3 0.577 4.538 3.960 0.002 0.000 0.302 361 G C -0.905 173.672 174.900 -0.540 0.000 1.365 361 G CA -0.681 43.526 45.100 -1.488 0.000 0.987 361 G HN 0.858 nan 8.290 nan 0.000 0.495 362 R N 0.583 120.873 120.500 -0.350 0.000 2.514 362 R HA 0.728 5.069 4.340 0.002 0.000 0.301 362 R C -1.121 175.232 176.300 0.088 0.000 0.962 362 R CA -0.763 55.286 56.100 -0.085 0.000 0.882 362 R CB 1.321 31.560 30.300 -0.102 0.000 1.143 362 R HN 0.739 nan 8.270 nan 0.000 0.452 363 Y N 0.056 120.277 120.300 -0.131 0.000 2.705 363 Y HA 0.511 5.062 4.550 0.002 0.000 0.332 363 Y C 0.519 176.333 175.900 -0.144 0.000 1.221 363 Y CA -0.934 57.096 58.100 -0.117 0.000 1.059 363 Y CB 0.558 38.840 38.460 -0.297 0.000 1.298 363 Y HN 0.722 nan 8.280 nan 0.000 0.459 364 G N 0.958 109.692 108.800 -0.111 0.000 2.309 364 G HA2 -0.290 3.671 3.960 0.002 0.000 0.286 364 G HA3 -0.290 3.671 3.960 0.002 0.000 0.286 364 G C -0.115 174.662 174.900 -0.206 0.000 1.002 364 G CA 0.557 45.557 45.100 -0.166 0.000 0.786 364 G HN 0.764 nan 8.290 nan 0.000 0.511 365 L N -0.352 120.768 121.223 -0.172 0.000 2.525 365 L HA 0.353 4.694 4.340 0.002 0.000 0.278 365 L C 1.768 178.618 176.870 -0.034 0.000 1.218 365 L CA 0.869 55.644 54.840 -0.109 0.000 0.878 365 L CB 0.140 42.157 42.059 -0.070 0.000 1.127 365 L HN 0.816 nan 8.230 nan 0.000 0.492 366 G N 2.486 111.296 108.800 0.016 0.000 2.366 366 G HA2 -0.319 3.642 3.960 0.002 0.000 0.299 366 G HA3 -0.319 3.642 3.960 0.002 0.000 0.299 366 G C 0.649 175.595 174.900 0.077 0.000 1.020 366 G CA 0.468 45.630 45.100 0.102 0.000 1.026 366 G HN 0.796 nan 8.290 nan 0.000 0.512 367 S N -2.377 113.372 115.700 0.083 0.000 3.476 367 S HA -0.240 4.231 4.470 0.002 0.000 0.309 367 S C 1.082 175.662 174.600 -0.034 0.000 1.222 367 S CA 1.851 60.083 58.200 0.052 0.000 0.922 367 S CB -0.637 62.610 63.200 0.077 0.000 1.023 367 S HN 1.485 nan 8.310 nan 0.000 0.591 368 K N 2.639 123.025 120.400 -0.023 0.000 2.489 368 K HA 0.097 4.418 4.320 0.002 0.000 0.278 368 K C 0.246 176.882 176.600 0.060 0.000 1.000 368 K CA 0.310 56.593 56.287 -0.006 0.000 1.012 368 K CB 0.406 32.915 32.500 0.016 0.000 0.903 368 K HN 0.132 nan 8.250 nan 0.000 0.485 369 E N 2.806 123.033 120.200 0.044 0.000 2.481 369 E HA -0.101 4.250 4.350 0.002 0.000 0.263 369 E C -0.733 175.993 176.600 0.209 0.000 0.992 369 E CA 0.655 57.105 56.400 0.082 0.000 0.938 369 E CB 0.138 29.853 29.700 0.026 0.000 0.933 369 E HN 0.537 nan 8.360 nan 0.000 0.453 370 F N 2.620 122.600 119.950 0.050 0.000 2.691 370 F HA 0.131 4.659 4.527 0.001 0.000 0.371 370 F C 0.098 175.880 175.800 -0.031 0.000 1.159 370 F CA -0.455 57.575 58.000 0.049 0.000 1.174 370 F CB 0.469 39.549 39.000 0.134 0.000 1.419 370 F HN 0.307 nan 8.300 nan 0.000 0.514 371 S N 3.725 119.192 115.700 -0.389 0.000 2.707 371 S HA 0.531 5.002 4.470 0.002 0.000 0.276 371 S C -2.140 172.055 174.600 -0.675 0.000 1.179 371 S CA -1.265 56.599 58.200 -0.560 0.000 0.992 371 S CB 1.619 64.596 63.200 -0.372 0.000 1.030 371 S HN 0.329 nan 8.310 nan 0.000 0.554 372 P HA -0.032 nan 4.420 nan 0.000 0.216 372 P C 1.560 178.702 177.300 -0.262 0.000 1.150 372 P CA 1.939 64.838 63.100 -0.335 0.000 0.837 372 P CB -0.271 31.325 31.700 -0.174 0.000 0.786 373 A N -1.062 121.642 122.820 -0.193 0.000 1.940 373 A HA -0.208 4.113 4.320 0.002 0.000 0.219 373 A C 2.151 179.512 177.584 -0.371 0.000 1.176 373 A CA 1.864 53.739 52.037 -0.269 0.000 0.631 373 A CB -1.404 17.535 19.000 -0.101 0.000 0.814 373 A HN 0.135 nan 8.150 nan 0.000 0.446 374 M N -0.908 118.466 119.600 -0.376 0.000 2.200 374 M HA -0.090 4.391 4.480 0.002 0.000 0.265 374 M C 2.022 178.071 176.300 -0.418 0.000 1.066 374 M CA 1.053 56.140 55.300 -0.355 0.000 1.127 374 M CB -0.288 32.095 32.600 -0.362 0.000 1.379 374 M HN 0.244 nan 8.290 nan 0.000 0.420 375 V N 0.454 120.032 119.914 -0.559 0.000 2.358 375 V HA -0.246 3.875 4.120 0.002 0.000 0.246 375 V C 2.350 178.308 176.094 -0.226 0.000 1.047 375 V CA 1.746 63.818 62.300 -0.380 0.000 1.035 375 V CB -0.699 30.956 31.823 -0.281 0.000 0.658 375 V HN 0.374 nan 8.190 nan 0.000 0.452 376 K N 0.739 120.908 120.400 -0.384 0.000 2.057 376 K HA -0.168 4.153 4.320 0.002 0.000 0.207 376 K C 2.461 178.899 176.600 -0.271 0.000 1.049 376 K CA 1.957 57.984 56.287 -0.433 0.000 0.931 376 K CB -0.844 31.002 32.500 -1.090 0.000 0.714 376 K HN 0.350 nan 8.250 nan 0.000 0.440 377 S N -0.648 114.874 115.700 -0.298 0.000 2.370 377 S HA -0.102 4.369 4.470 0.002 0.000 0.226 377 S C 1.848 176.297 174.600 -0.252 0.000 1.033 377 S CA 1.425 59.479 58.200 -0.244 0.000 1.011 377 S CB -0.338 62.725 63.200 -0.227 0.000 0.852 377 S HN 0.164 nan 8.310 nan 0.000 0.457 378 V N 0.430 120.193 119.914 -0.252 0.000 2.343 378 V HA -0.138 3.983 4.120 0.002 0.000 0.247 378 V C 1.991 177.937 176.094 -0.247 0.000 1.051 378 V CA 1.896 64.029 62.300 -0.279 0.000 1.036 378 V CB -0.889 30.818 31.823 -0.193 0.000 0.654 378 V HN 0.594 nan 8.190 nan 0.000 0.451 379 Y N 0.213 120.455 120.300 -0.097 0.000 2.220 379 Y HA -0.175 4.376 4.550 0.002 0.000 0.291 379 Y C 2.554 178.408 175.900 -0.077 0.000 1.129 379 Y CA 1.389 59.453 58.100 -0.060 0.000 1.161 379 Y CB -0.185 38.242 38.460 -0.056 0.000 0.997 379 Y HN 0.277 nan 8.280 nan 0.000 0.522 380 D N -0.195 120.221 120.400 0.026 0.000 2.144 380 D HA -0.190 4.451 4.640 0.002 0.000 0.199 380 D C 1.745 178.014 176.300 -0.052 0.000 0.984 380 D CA 1.210 55.196 54.000 -0.024 0.000 0.834 380 D CB -0.516 40.239 40.800 -0.075 0.000 0.955 380 D HN 0.292 nan 8.370 nan 0.000 0.465 381 N N 0.082 118.713 118.700 -0.114 0.000 2.166 381 N HA -0.103 4.638 4.740 0.002 0.000 0.186 381 N C 1.710 177.183 175.510 -0.061 0.000 1.019 381 N CA 0.906 53.871 53.050 -0.142 0.000 0.856 381 N CB -0.113 38.188 38.487 -0.310 0.000 0.993 381 N HN 0.106 nan 8.380 nan 0.000 0.426 382 M N -0.649 118.941 119.600 -0.017 0.000 2.374 382 M HA -0.052 4.429 4.480 0.002 0.000 0.264 382 M C 1.558 177.882 176.300 0.040 0.000 1.067 382 M CA 1.162 56.483 55.300 0.035 0.000 1.103 382 M CB -0.052 32.600 32.600 0.086 0.000 1.402 382 M HN 0.318 nan 8.290 nan 0.000 0.444 383 S N -1.376 114.344 115.700 0.033 0.000 2.517 383 S HA 0.226 4.697 4.470 0.002 0.000 0.214 383 S C 1.164 175.770 174.600 0.010 0.000 0.991 383 S CA 0.065 58.282 58.200 0.029 0.000 0.906 383 S CB 0.166 63.386 63.200 0.033 0.000 0.789 383 S HN 0.401 nan 8.310 nan 0.000 0.513 384 G N 1.222 110.019 108.800 -0.005 0.000 3.345 384 G HA2 0.570 4.530 3.960 0.002 0.000 0.202 384 G HA3 0.570 4.530 3.960 0.002 0.000 0.202 384 G C 1.322 176.213 174.900 -0.015 0.000 1.740 384 G CA 0.000 45.093 45.100 -0.013 0.000 0.806 384 G HN 0.462 nan 8.290 nan 0.000 0.718 385 A N -0.288 122.516 122.820 -0.027 0.000 2.024 385 A HA 0.052 4.373 4.320 0.002 0.000 0.220 385 A C 1.393 178.969 177.584 -0.013 0.000 1.164 385 A CA 2.049 54.073 52.037 -0.022 0.000 0.643 385 A CB -0.694 18.286 19.000 -0.034 0.000 0.806 385 A HN 0.643 nan 8.150 nan 0.000 0.451 386 K N -1.180 119.208 120.400 -0.019 0.000 3.077 386 K HA -0.193 4.128 4.320 0.002 0.000 0.264 386 K C -0.027 176.585 176.600 0.021 0.000 1.008 386 K CA 1.016 57.305 56.287 0.003 0.000 0.740 386 K CB -1.463 31.046 32.500 0.015 0.000 1.273 386 K HN 0.711 nan 8.250 nan 0.000 0.477 387 K N 1.469 121.874 120.400 0.008 0.000 2.451 387 K HA 0.037 4.358 4.320 0.002 0.000 0.280 387 K C 0.128 176.822 176.600 0.158 0.000 1.020 387 K CA -0.094 56.227 56.287 0.057 0.000 1.008 387 K CB 0.485 32.999 32.500 0.023 0.000 0.917 387 K HN 0.108 nan 8.250 nan 0.000 0.478 388 N N 1.609 120.373 118.700 0.108 0.000 2.477 388 N HA 0.161 4.902 4.740 0.002 0.000 0.284 388 N C -1.056 174.450 175.510 -0.007 0.000 1.182 388 N CA -0.124 52.919 53.050 -0.012 0.000 0.949 388 N CB 0.566 38.978 38.487 -0.126 0.000 1.204 388 N HN 0.664 nan 8.380 nan 0.000 0.526 389 H N 0.046 119.027 119.070 -0.149 0.000 2.626 389 H HA -0.214 4.343 4.556 0.002 0.000 0.317 389 H C -0.437 174.822 175.328 -0.116 0.000 1.140 389 H CA 0.799 56.710 56.048 -0.228 0.000 1.134 389 H CB -2.059 27.609 29.762 -0.156 0.000 1.486 389 H HN 0.390 nan 8.280 nan 0.000 0.417 390 F N -0.320 119.616 119.950 -0.023 0.000 2.411 390 F HA 0.689 5.217 4.527 0.002 0.000 0.324 390 F C 0.598 176.403 175.800 0.008 0.000 1.086 390 F CA -0.573 57.425 58.000 -0.003 0.000 1.028 390 F CB 0.933 39.923 39.000 -0.017 0.000 1.284 390 F HN 0.017 nan 8.300 nan 0.000 0.501 391 T N -0.294 114.475 114.554 0.359 0.000 2.908 391 T HA 0.703 5.054 4.350 0.002 0.000 0.290 391 T C -1.267 173.652 174.700 0.366 0.000 1.034 391 T CA -0.885 61.365 62.100 0.250 0.000 1.010 391 T CB 1.510 70.452 68.868 0.123 0.000 1.068 391 T HN 1.011 nan 8.240 nan 0.000 0.481 392 V N 1.234 121.342 119.914 0.323 0.000 2.733 392 V HA 0.695 4.816 4.120 0.002 0.000 0.306 392 V C 0.591 176.820 176.094 0.225 0.000 1.084 392 V CA 0.786 63.247 62.300 0.267 0.000 0.905 392 V CB 1.066 33.091 31.823 0.337 0.000 1.010 392 V HN 1.685 nan 8.190 nan 0.000 0.424 393 G N 5.356 114.239 108.800 0.139 0.000 2.229 393 G HA2 -0.100 3.861 3.960 0.002 0.000 0.189 393 G HA3 -0.100 3.861 3.960 0.002 0.000 0.189 393 G C -0.151 174.794 174.900 0.076 0.000 1.000 393 G CA 0.130 45.298 45.100 0.114 0.000 0.663 393 G HN 1.697 nan 8.290 nan 0.000 0.493 394 I N -2.875 117.739 120.570 0.074 0.000 3.174 394 I HA 0.847 5.018 4.170 0.002 0.000 0.313 394 I C -0.762 175.389 176.117 0.057 0.000 1.155 394 I CA -1.425 59.912 61.300 0.061 0.000 0.977 394 I CB 2.288 40.322 38.000 0.057 0.000 1.248 394 I HN -0.036 nan 8.210 nan 0.000 0.453 395 E N 2.475 122.709 120.200 0.056 0.000 2.063 395 E HA 0.141 4.492 4.350 0.002 0.000 0.265 395 E C -1.350 175.281 176.600 0.052 0.000 0.919 395 E CA -0.471 55.956 56.400 0.045 0.000 0.756 395 E CB 0.871 30.592 29.700 0.036 0.000 1.120 395 E HN 0.617 nan 8.360 nan 0.000 0.414 396 D N 4.355 124.784 120.400 0.048 0.000 2.494 396 D HA -0.014 4.627 4.640 0.002 0.000 0.217 396 D C 0.109 176.430 176.300 0.035 0.000 1.153 396 D CA -0.361 53.667 54.000 0.046 0.000 0.954 396 D CB 0.459 41.287 40.800 0.047 0.000 1.034 396 D HN 0.414 nan 8.370 nan 0.000 0.518 397 D N 1.984 122.403 120.400 0.031 0.000 2.325 397 D HA -0.046 4.595 4.640 0.002 0.000 0.225 397 D C 1.026 177.336 176.300 0.016 0.000 1.096 397 D CA -0.068 53.944 54.000 0.019 0.000 0.844 397 D CB 0.372 41.178 40.800 0.011 0.000 0.925 397 D HN 0.241 nan 8.370 nan 0.000 0.513 398 V N 0.225 120.153 119.914 0.022 0.000 2.806 398 V HA 0.007 4.128 4.120 0.002 0.000 0.239 398 V C 2.000 178.104 176.094 0.016 0.000 1.113 398 V CA 1.611 63.922 62.300 0.018 0.000 1.137 398 V CB 0.323 32.161 31.823 0.024 0.000 0.865 398 V HN 0.422 nan 8.190 nan 0.000 0.482 399 T N -2.288 112.277 114.554 0.019 0.000 3.084 399 T HA 0.339 4.690 4.350 0.002 0.000 0.270 399 T C 1.380 176.094 174.700 0.023 0.000 1.008 399 T CA 0.460 62.570 62.100 0.016 0.000 0.900 399 T CB 0.529 69.404 68.868 0.012 0.000 1.084 399 T HN 0.814 nan 8.240 nan 0.000 0.538 400 G N 2.552 111.367 108.800 0.025 0.000 2.390 400 G HA2 -0.313 3.648 3.960 0.002 0.000 0.299 400 G HA3 -0.313 3.648 3.960 0.002 0.000 0.299 400 G C 0.776 175.702 174.900 0.043 0.000 1.002 400 G CA 0.879 45.996 45.100 0.029 0.000 0.979 400 G HN 0.917 nan 8.290 nan 0.000 0.513 401 T N -2.706 111.881 114.554 0.056 0.000 3.060 401 T HA 0.446 4.797 4.350 0.002 0.000 0.249 401 T C 1.417 176.191 174.700 0.124 0.000 1.079 401 T CA 0.856 63.009 62.100 0.088 0.000 1.013 401 T CB 0.210 69.126 68.868 0.080 0.000 0.975 401 T HN 1.317 nan 8.240 nan 0.000 0.518 402 S N 1.490 117.244 115.700 0.089 0.000 2.584 402 S HA 0.620 5.091 4.470 0.002 0.000 0.273 402 S C -0.078 174.544 174.600 0.037 0.000 1.311 402 S CA -0.994 57.260 58.200 0.091 0.000 1.034 402 S CB 0.635 63.875 63.200 0.066 0.000 0.939 402 S HN 0.394 nan 8.310 nan 0.000 0.513 403 L N 2.778 123.999 121.223 -0.002 0.000 2.357 403 L HA 0.475 4.816 4.340 0.002 0.000 0.273 403 L C -1.855 174.968 176.870 -0.078 0.000 1.080 403 L CA -2.212 52.560 54.840 -0.114 0.000 0.803 403 L CB 0.811 42.698 42.059 -0.287 0.000 1.174 403 L HN 0.557 nan 8.230 nan 0.000 0.443 404 P HA 0.164 nan 4.420 nan 0.000 0.275 404 P C -1.048 176.201 177.300 -0.085 0.000 1.227 404 P CA -0.224 62.837 63.100 -0.065 0.000 0.781 404 P CB 1.596 33.260 31.700 -0.060 0.000 0.906 405 V N 2.958 122.832 119.914 -0.067 0.000 2.487 405 V HA 0.198 4.319 4.120 0.002 0.000 0.298 405 V C -0.070 175.986 176.094 -0.063 0.000 1.028 405 V CA -0.395 61.855 62.300 -0.083 0.000 0.860 405 V CB 1.656 33.436 31.823 -0.072 0.000 0.991 405 V HN 0.521 nan 8.190 nan 0.000 0.427 406 D N 3.665 124.021 120.400 -0.073 0.000 2.428 406 D HA 0.202 4.843 4.640 0.002 0.000 0.221 406 D C 0.819 177.117 176.300 -0.003 0.000 1.123 406 D CA -0.200 53.780 54.000 -0.033 0.000 0.869 406 D CB 0.706 41.491 40.800 -0.026 0.000 1.032 406 D HN 0.425 nan 8.370 nan 0.000 0.506 407 N N 2.523 121.225 118.700 0.003 0.000 2.575 407 N HA -0.046 4.695 4.740 0.002 0.000 0.192 407 N C 0.939 176.476 175.510 0.045 0.000 1.200 407 N CA 0.129 53.191 53.050 0.020 0.000 0.897 407 N CB 0.456 38.947 38.487 0.006 0.000 0.990 407 N HN 0.442 nan 8.380 nan 0.000 0.449 408 A N 0.108 122.962 122.820 0.057 0.000 2.251 408 A HA 0.081 4.402 4.320 0.002 0.000 0.209 408 A C 0.612 178.253 177.584 0.095 0.000 1.187 408 A CA -0.543 51.527 52.037 0.055 0.000 0.823 408 A CB -0.439 18.587 19.000 0.043 0.000 0.846 408 A HN 0.293 nan 8.150 nan 0.000 0.486 409 F N 1.366 121.279 119.950 -0.062 0.000 2.623 409 F HA 0.276 4.804 4.527 0.002 0.000 0.383 409 F C 1.008 176.752 175.800 -0.093 0.000 1.077 409 F CA -0.336 57.614 58.000 -0.083 0.000 1.268 409 F CB 0.470 39.398 39.000 -0.120 0.000 1.053 409 F HN 0.316 nan 8.300 nan 0.000 0.571 410 A N 5.623 128.078 122.820 -0.609 0.000 2.448 410 A HA -0.002 4.319 4.320 0.002 0.000 0.239 410 A C 0.049 177.236 177.584 -0.661 0.000 1.080 410 A CA -0.375 51.346 52.037 -0.526 0.000 0.779 410 A CB 0.064 18.827 19.000 -0.395 0.000 1.026 410 A HN 0.836 nan 8.150 nan 0.000 0.499 411 D N 0.466 120.667 120.400 -0.333 0.000 2.455 411 D HA 0.078 4.719 4.640 0.002 0.000 0.241 411 D C 0.972 177.088 176.300 -0.306 0.000 1.138 411 D CA 1.046 54.911 54.000 -0.226 0.000 0.877 411 D CB 0.712 41.470 40.800 -0.070 0.000 1.187 411 D HN 0.552 nan 8.370 nan 0.000 0.451 412 T N -0.745 113.662 114.554 -0.245 0.000 3.085 412 T HA 0.075 4.426 4.350 0.002 0.000 0.264 412 T C 0.988 175.701 174.700 0.023 0.000 1.019 412 T CA -0.394 61.588 62.100 -0.197 0.000 0.910 412 T CB -0.094 68.633 68.868 -0.235 0.000 1.059 412 T HN 0.437 nan 8.240 nan 0.000 0.542 413 T N 1.319 115.907 114.554 0.057 0.000 2.856 413 T HA 0.372 4.723 4.350 0.002 0.000 0.306 413 T C -2.613 172.123 174.700 0.059 0.000 1.062 413 T CA -1.194 60.948 62.100 0.070 0.000 1.083 413 T CB -0.064 68.840 68.868 0.061 0.000 0.984 413 T HN -0.004 nan 8.240 nan 0.000 0.542 414 P HA 0.162 nan 4.420 nan 0.000 0.268 414 P C -0.134 177.196 177.300 0.049 0.000 1.208 414 P CA -0.483 62.641 63.100 0.041 0.000 0.777 414 P CB 0.386 32.095 31.700 0.014 0.000 0.875 415 K N 1.567 121.995 120.400 0.047 0.000 2.484 415 K HA 0.191 4.512 4.320 0.002 0.000 0.280 415 K C 1.105 177.739 176.600 0.057 0.000 1.013 415 K CA 1.055 57.371 56.287 0.049 0.000 1.029 415 K CB -0.642 31.882 32.500 0.040 0.000 0.902 415 K HN 0.767 nan 8.250 nan 0.000 0.481 416 G N 2.488 111.326 108.800 0.064 0.000 2.194 416 G HA2 -0.224 3.737 3.960 0.002 0.000 0.236 416 G HA3 -0.224 3.737 3.960 0.002 0.000 0.236 416 G C 0.064 175.021 174.900 0.095 0.000 0.987 416 G CA 0.233 45.378 45.100 0.075 0.000 0.635 416 G HN 0.650 nan 8.290 nan 0.000 0.520 417 T N 1.587 116.196 114.554 0.092 0.000 2.851 417 T HA 0.555 4.906 4.350 0.002 0.000 0.298 417 T C 0.557 175.330 174.700 0.123 0.000 0.977 417 T CA 0.319 62.484 62.100 0.109 0.000 1.126 417 T CB 1.355 70.270 68.868 0.079 0.000 0.916 417 T HN 0.321 nan 8.240 nan 0.000 0.529 418 I N 3.442 124.115 120.570 0.170 0.000 2.354 418 I HA 0.286 4.457 4.170 0.002 0.000 0.292 418 I C 0.231 176.481 176.117 0.223 0.000 0.989 418 I CA -0.697 60.716 61.300 0.188 0.000 1.188 418 I CB 1.433 39.548 38.000 0.193 0.000 1.342 418 I HN 0.467 nan 8.210 nan 0.000 0.457 419 Q N 5.542 125.455 119.800 0.187 0.000 2.316 419 Q HA 0.578 4.919 4.340 0.002 0.000 0.264 419 Q C -1.406 174.721 176.000 0.211 0.000 0.987 419 Q CA -0.708 55.199 55.803 0.173 0.000 0.852 419 Q CB 2.629 31.437 28.738 0.118 0.000 1.287 419 Q HN 0.620 nan 8.270 nan 0.000 0.448 420 C N 1.702 121.137 119.300 0.226 0.000 2.634 420 C HA 0.547 5.007 4.460 0.002 0.000 0.313 420 C C -0.477 174.550 174.990 0.062 0.000 1.198 420 C CA -0.810 58.331 59.018 0.205 0.000 1.605 420 C CB 1.630 29.569 27.740 0.331 0.000 2.196 420 C HN 0.790 nan 8.230 nan 0.000 0.486 421 Q N 0.754 120.489 119.800 -0.109 0.000 2.337 421 Q HA 0.654 4.995 4.340 0.002 0.000 0.270 421 Q C -1.759 174.084 176.000 -0.262 0.000 1.043 421 Q CA -0.240 55.468 55.803 -0.160 0.000 0.794 421 Q CB 2.233 30.933 28.738 -0.062 0.000 1.281 421 Q HN 0.635 nan 8.270 nan 0.000 0.446 422 F N 0.832 120.726 119.950 -0.093 0.000 2.493 422 F HA 0.429 4.957 4.527 0.002 0.000 0.329 422 F C -0.962 174.745 175.800 -0.155 0.000 1.126 422 F CA -0.724 57.228 58.000 -0.079 0.000 0.937 422 F CB 1.094 40.012 39.000 -0.137 0.000 1.146 422 F HN 0.443 nan 8.300 nan 0.000 0.442 423 W N 2.664 123.939 121.300 -0.041 0.000 2.283 423 W HA 0.649 5.310 4.660 0.001 0.000 0.317 423 W C 0.335 176.945 176.519 0.150 0.000 1.042 423 W CA -0.892 56.495 57.345 0.070 0.000 1.348 423 W CB 1.485 31.054 29.460 0.182 0.000 1.216 423 W HN 0.630 nan 8.180 nan 0.000 0.404 424 G N 2.280 111.263 108.800 0.305 0.000 2.568 424 G HA2 0.664 4.625 3.960 0.002 0.000 0.313 424 G HA3 0.664 4.625 3.960 0.002 0.000 0.313 424 G C -1.955 173.180 174.900 0.391 0.000 1.227 424 G CA -1.009 44.282 45.100 0.318 0.000 0.979 424 G HN 0.329 nan 8.290 nan 0.000 0.486 425 L N 0.929 122.319 121.223 0.279 0.000 2.309 425 L HA 0.726 5.067 4.340 0.002 0.000 0.282 425 L C 0.872 177.852 176.870 0.182 0.000 1.036 425 L CA -0.431 54.559 54.840 0.251 0.000 0.806 425 L CB 1.137 43.272 42.059 0.127 0.000 1.220 425 L HN 0.738 nan 8.230 nan 0.000 0.429 426 G N 4.057 112.963 108.800 0.177 0.000 2.224 426 G HA2 0.366 4.327 3.960 0.002 0.000 0.239 426 G HA3 0.366 4.327 3.960 0.002 0.000 0.239 426 G C 0.826 175.789 174.900 0.104 0.000 1.240 426 G CA 0.342 45.525 45.100 0.139 0.000 0.896 426 G HN 2.028 nan 8.290 nan 0.000 0.496 427 A N 1.750 124.622 122.820 0.087 0.000 3.172 427 A HA -0.204 4.117 4.320 0.002 0.000 0.263 427 A C 1.524 179.143 177.584 0.059 0.000 1.215 427 A CA 1.759 53.832 52.037 0.060 0.000 1.065 427 A CB -1.826 17.203 19.000 0.048 0.000 1.148 427 A HN 1.308 nan 8.150 nan 0.000 0.904 428 D N -1.046 119.401 120.400 0.079 0.000 2.328 428 D HA 0.377 5.018 4.640 0.002 0.000 0.226 428 D C 1.460 177.806 176.300 0.076 0.000 1.066 428 D CA 1.004 55.049 54.000 0.076 0.000 0.861 428 D CB -0.664 40.194 40.800 0.096 0.000 0.912 428 D HN 1.843 nan 8.370 nan 0.000 0.521 429 G N -0.397 108.442 108.800 0.065 0.000 2.179 429 G HA2 -0.389 3.572 3.960 0.002 0.000 0.260 429 G HA3 -0.389 3.572 3.960 0.002 0.000 0.260 429 G C 1.221 176.156 174.900 0.059 0.000 0.977 429 G CA 0.761 45.892 45.100 0.051 0.000 0.641 429 G HN 0.373 nan 8.290 nan 0.000 0.533 430 T N 0.532 115.153 114.554 0.111 0.000 2.652 430 T HA -0.145 4.206 4.350 0.002 0.000 0.267 430 T C 2.527 177.225 174.700 -0.004 0.000 1.039 430 T CA 1.996 64.180 62.100 0.140 0.000 1.153 430 T CB -0.317 68.697 68.868 0.245 0.000 0.863 430 T HN 0.339 nan 8.240 nan 0.000 0.428 431 V N 1.355 121.241 119.914 -0.047 0.000 2.332 431 V HA -0.140 3.981 4.120 0.002 0.000 0.248 431 V C 2.868 178.836 176.094 -0.209 0.000 1.055 431 V CA 2.042 64.214 62.300 -0.213 0.000 1.038 431 V CB -1.392 30.223 31.823 -0.347 0.000 0.651 431 V HN 0.630 nan 8.190 nan 0.000 0.450 432 G N -0.566 108.161 108.800 -0.122 0.000 2.418 432 G HA2 -0.214 3.747 3.960 0.002 0.000 0.217 432 G HA3 -0.214 3.747 3.960 0.002 0.000 0.217 432 G C 1.759 176.627 174.900 -0.053 0.000 1.158 432 G CA 1.075 46.121 45.100 -0.090 0.000 0.771 432 G HN 0.619 nan 8.290 nan 0.000 0.545 433 A N 1.268 124.070 122.820 -0.030 0.000 1.898 433 A HA -0.075 4.246 4.320 0.002 0.000 0.216 433 A C 2.302 179.853 177.584 -0.055 0.000 1.181 433 A CA 1.831 53.867 52.037 -0.002 0.000 0.620 433 A CB -0.422 18.598 19.000 0.033 0.000 0.819 433 A HN 0.345 nan 8.150 nan 0.000 0.442 434 N N 0.255 118.865 118.700 -0.151 0.000 2.084 434 N HA -0.141 4.600 4.740 0.002 0.000 0.190 434 N C 1.592 177.098 175.510 -0.007 0.000 1.030 434 N CA 1.577 54.494 53.050 -0.223 0.000 0.849 434 N CB -0.387 37.986 38.487 -0.191 0.000 1.012 434 N HN 0.555 nan 8.380 nan 0.000 0.423 435 K N 0.591 121.021 120.400 0.051 0.000 2.097 435 K HA -0.075 4.246 4.320 0.002 0.000 0.206 435 K C 1.944 178.582 176.600 0.064 0.000 1.049 435 K CA 0.879 57.215 56.287 0.081 0.000 0.933 435 K CB 0.050 32.547 32.500 -0.004 0.000 0.717 435 K HN 0.151 nan 8.250 nan 0.000 0.442 436 Q N 0.006 119.832 119.800 0.044 0.000 2.123 436 Q HA -0.043 4.298 4.340 0.002 0.000 0.199 436 Q C 2.154 178.250 176.000 0.159 0.000 0.966 436 Q CA 1.417 57.262 55.803 0.071 0.000 0.845 436 Q CB -0.239 28.526 28.738 0.045 0.000 0.907 436 Q HN 0.317 nan 8.270 nan 0.000 0.439 437 A N 0.811 123.739 122.820 0.179 0.000 1.902 437 A HA -0.148 4.173 4.320 0.002 0.000 0.217 437 A C 2.184 179.937 177.584 0.282 0.000 1.181 437 A CA 1.104 53.304 52.037 0.271 0.000 0.623 437 A CB -0.671 18.311 19.000 -0.030 0.000 0.818 437 A HN 0.318 nan 8.150 nan 0.000 0.443 438 I N -0.745 119.970 120.570 0.241 0.000 2.179 438 I HA -0.280 3.891 4.170 0.002 0.000 0.242 438 I C 2.584 178.832 176.117 0.218 0.000 1.088 438 I CA 1.930 63.395 61.300 0.275 0.000 1.357 438 I CB -0.247 37.828 38.000 0.126 0.000 1.051 438 I HN 0.357 nan 8.210 nan 0.000 0.409 439 K N 1.317 121.808 120.400 0.152 0.000 2.001 439 K HA -0.148 4.173 4.320 0.002 0.000 0.208 439 K C 2.135 178.807 176.600 0.120 0.000 1.048 439 K CA 1.435 57.787 56.287 0.108 0.000 0.932 439 K CB -0.077 32.465 32.500 0.070 0.000 0.715 439 K HN 0.182 nan 8.250 nan 0.000 0.437 440 I N 0.951 121.616 120.570 0.158 0.000 2.118 440 I HA -0.339 3.832 4.170 0.002 0.000 0.241 440 I C 2.237 178.453 176.117 0.165 0.000 1.070 440 I CA 1.461 62.860 61.300 0.165 0.000 1.327 440 I CB -0.265 37.891 38.000 0.259 0.000 1.034 440 I HN 0.213 nan 8.210 nan 0.000 0.405 441 I N 0.363 121.059 120.570 0.210 0.000 2.233 441 I HA -0.156 4.015 4.170 0.002 0.000 0.243 441 I C 2.704 178.902 176.117 0.135 0.000 1.093 441 I CA 1.506 62.900 61.300 0.157 0.000 1.380 441 I CB -0.939 37.133 38.000 0.119 0.000 1.067 441 I HN 0.251 nan 8.210 nan 0.000 0.413 442 G N 0.573 109.473 108.800 0.166 0.000 2.442 442 G HA2 -0.228 3.733 3.960 0.002 0.000 0.219 442 G HA3 -0.228 3.733 3.960 0.002 0.000 0.219 442 G C 1.075 175.992 174.900 0.028 0.000 1.141 442 G CA 1.016 46.171 45.100 0.092 0.000 0.763 442 G HN 0.313 nan 8.290 nan 0.000 0.554 443 D N -0.057 120.366 120.400 0.038 0.000 2.349 443 D HA 0.047 4.688 4.640 0.002 0.000 0.215 443 D C 1.415 177.718 176.300 0.005 0.000 1.016 443 D CA 0.266 54.272 54.000 0.010 0.000 0.870 443 D CB 0.152 40.959 40.800 0.013 0.000 0.917 443 D HN 0.245 nan 8.370 nan 0.000 0.524 444 N N -0.195 118.516 118.700 0.019 0.000 2.170 444 N HA 0.034 4.775 4.740 0.002 0.000 0.222 444 N C 0.119 175.631 175.510 0.003 0.000 1.218 444 N CA 0.233 53.289 53.050 0.010 0.000 0.889 444 N CB 1.744 40.244 38.487 0.023 0.000 1.083 444 N HN 0.202 nan 8.380 nan 0.000 0.520 445 T N -2.998 111.553 114.554 -0.003 0.000 2.812 445 T HA 0.340 4.691 4.350 0.002 0.000 0.294 445 T C -0.440 174.229 174.700 -0.051 0.000 1.159 445 T CA -0.553 61.538 62.100 -0.015 0.000 1.008 445 T CB 1.948 70.817 68.868 0.001 0.000 1.289 445 T HN -0.324 nan 8.240 nan 0.000 0.514 446 D N 0.409 120.772 120.400 -0.062 0.000 2.328 446 D HA 0.277 4.918 4.640 0.002 0.000 0.221 446 D C 0.489 176.674 176.300 -0.191 0.000 1.072 446 D CA 0.061 53.986 54.000 -0.124 0.000 0.850 446 D CB -0.127 40.628 40.800 -0.075 0.000 0.922 446 D HN 0.428 nan 8.370 nan 0.000 0.516 447 L N 0.235 121.401 121.223 -0.094 0.000 2.436 447 L HA 0.229 4.569 4.340 0.002 0.000 0.265 447 L C 0.326 177.137 176.870 -0.099 0.000 1.168 447 L CA -0.463 54.370 54.840 -0.012 0.000 0.815 447 L CB 0.446 42.582 42.059 0.129 0.000 1.109 447 L HN -0.199 nan 8.230 nan 0.000 0.462 448 F N 0.934 120.949 119.950 0.109 0.000 2.379 448 F HA 0.597 5.125 4.527 0.002 0.000 0.332 448 F C 0.508 176.351 175.800 0.071 0.000 1.096 448 F CA -0.258 57.784 58.000 0.070 0.000 1.105 448 F CB 1.427 40.450 39.000 0.039 0.000 1.189 448 F HN 0.432 nan 8.300 nan 0.000 0.515 449 A N 2.726 125.639 122.820 0.154 0.000 2.449 449 A HA 0.666 4.987 4.320 0.002 0.000 0.302 449 A C -1.375 176.113 177.584 -0.159 0.000 1.048 449 A CA -0.620 51.341 52.037 -0.128 0.000 0.708 449 A CB 1.947 20.928 19.000 -0.031 0.000 1.274 449 A HN 0.702 nan 8.150 nan 0.000 0.410 450 Q N 1.127 120.726 119.800 -0.335 0.000 2.359 450 Q HA 0.634 4.975 4.340 0.002 0.000 0.274 450 Q C -0.831 175.020 176.000 -0.248 0.000 1.074 450 Q CA -0.622 55.063 55.803 -0.198 0.000 0.810 450 Q CB 2.358 31.009 28.738 -0.146 0.000 1.342 450 Q HN 1.220 nan 8.270 nan 0.000 0.427 451 G N 1.936 110.650 108.800 -0.144 0.000 2.682 451 G HA2 0.559 4.520 3.960 0.002 0.000 0.300 451 G HA3 0.559 4.520 3.960 0.002 0.000 0.300 451 G C -2.453 172.329 174.900 -0.196 0.000 1.391 451 G CA -0.272 44.678 45.100 -0.249 0.000 0.990 451 G HN 0.486 nan 8.290 nan 0.000 0.501 452 Y N 1.326 121.272 120.300 -0.589 0.000 2.479 452 Y HA 0.714 5.265 4.550 0.002 0.000 0.338 452 Y C -1.834 173.704 175.900 -0.603 0.000 1.055 452 Y CA -1.607 56.282 58.100 -0.351 0.000 1.023 452 Y CB 1.781 40.152 38.460 -0.148 0.000 1.287 452 Y HN 0.481 nan 8.280 nan 0.000 0.447 453 F N 3.303 122.923 119.950 -0.550 0.000 2.520 453 F HA 0.590 5.118 4.527 0.002 0.000 0.322 453 F C -0.240 175.144 175.800 -0.693 0.000 1.103 453 F CA -0.935 56.753 58.000 -0.520 0.000 0.926 453 F CB 2.286 40.950 39.000 -0.559 0.000 1.154 453 F HN 0.432 nan 8.300 nan 0.000 0.453 454 S N 1.928 117.419 115.700 -0.347 0.000 2.456 454 S HA 0.709 5.180 4.470 0.002 0.000 0.316 454 S C -1.293 173.094 174.600 -0.355 0.000 1.089 454 S CA -0.640 57.415 58.200 -0.242 0.000 1.101 454 S CB 0.368 63.519 63.200 -0.082 0.000 0.995 454 S HN 0.463 nan 8.310 nan 0.000 0.468 455 Y N 0.742 121.033 120.300 -0.014 0.000 2.534 455 Y HA 0.565 5.116 4.550 0.002 0.000 0.329 455 Y C 0.694 176.590 175.900 -0.008 0.000 1.154 455 Y CA -1.062 57.036 58.100 -0.003 0.000 1.192 455 Y CB 0.694 39.166 38.460 0.020 0.000 1.275 455 Y HN 0.603 nan 8.280 nan 0.000 0.491 456 D N -0.727 119.781 120.400 0.179 0.000 2.348 456 D HA 0.180 4.821 4.640 0.002 0.000 0.249 456 D C 0.378 176.756 176.300 0.129 0.000 1.110 456 D CA 0.061 54.128 54.000 0.111 0.000 0.967 456 D CB 1.772 42.631 40.800 0.099 0.000 1.139 456 D HN 0.545 nan 8.370 nan 0.000 0.466 457 S N 0.393 116.160 115.700 0.111 0.000 2.470 457 S HA 0.011 4.482 4.470 0.002 0.000 0.225 457 S C 0.444 175.115 174.600 0.119 0.000 1.006 457 S CA 0.155 58.421 58.200 0.109 0.000 0.934 457 S CB 0.190 63.450 63.200 0.099 0.000 0.778 457 S HN 0.294 nan 8.310 nan 0.000 0.517 458 K N 2.529 123.004 120.400 0.126 0.000 2.383 458 K HA 0.161 4.482 4.320 0.002 0.000 0.286 458 K C 0.565 177.241 176.600 0.127 0.000 1.051 458 K CA 0.129 56.498 56.287 0.137 0.000 0.974 458 K CB 0.576 33.159 32.500 0.139 0.000 0.968 458 K HN 0.209 nan 8.250 nan 0.000 0.475 459 K N 0.695 121.173 120.400 0.131 0.000 2.217 459 K HA -0.009 4.312 4.320 0.002 0.000 0.202 459 K C 0.252 176.908 176.600 0.094 0.000 1.051 459 K CA 0.786 57.139 56.287 0.110 0.000 0.952 459 K CB 0.260 32.834 32.500 0.124 0.000 0.736 459 K HN 0.322 nan 8.250 nan 0.000 0.453 460 S N -1.101 114.656 115.700 0.094 0.000 2.526 460 S HA 0.445 4.916 4.470 0.002 0.000 0.293 460 S C 0.082 174.732 174.600 0.083 0.000 1.092 460 S CA -0.379 57.864 58.200 0.073 0.000 0.980 460 S CB 1.894 65.119 63.200 0.042 0.000 1.048 460 S HN 0.435 nan 8.310 nan 0.000 0.483 461 G N 1.873 110.727 108.800 0.090 0.000 2.283 461 G HA2 -0.178 3.783 3.960 0.002 0.000 0.280 461 G HA3 -0.178 3.783 3.960 0.002 0.000 0.280 461 G C 0.428 175.426 174.900 0.164 0.000 1.029 461 G CA 0.092 45.263 45.100 0.117 0.000 0.840 461 G HN 1.040 nan 8.290 nan 0.000 0.505 462 G N -1.084 107.810 108.800 0.157 0.000 2.580 462 G HA2 0.639 4.599 3.960 0.002 0.000 0.278 462 G HA3 0.639 4.599 3.960 0.002 0.000 0.278 462 G C 0.200 175.213 174.900 0.188 0.000 1.212 462 G CA -0.790 44.408 45.100 0.164 0.000 0.939 462 G HN 0.721 nan 8.290 nan 0.000 0.513 463 I N 0.199 120.837 120.570 0.113 0.000 2.385 463 I HA 0.425 4.596 4.170 0.002 0.000 0.294 463 I C 0.337 176.436 176.117 -0.031 0.000 0.988 463 I CA -0.558 60.762 61.300 0.032 0.000 1.265 463 I CB 2.039 39.871 38.000 -0.280 0.000 1.388 463 I HN 0.512 nan 8.210 nan 0.000 0.480 464 T N 3.784 118.318 114.554 -0.034 0.000 2.861 464 T HA 0.742 5.093 4.350 0.002 0.000 0.287 464 T C -0.661 173.887 174.700 -0.254 0.000 1.003 464 T CA -0.636 61.382 62.100 -0.137 0.000 0.977 464 T CB 1.486 70.317 68.868 -0.063 0.000 0.996 464 T HN 0.383 nan 8.240 nan 0.000 0.448 465 I N 2.615 122.957 120.570 -0.380 0.000 2.410 465 I HA 0.354 4.525 4.170 0.002 0.000 0.286 465 I C -0.013 175.896 176.117 -0.346 0.000 1.009 465 I CA -0.778 60.196 61.300 -0.544 0.000 1.111 465 I CB 2.008 39.511 38.000 -0.828 0.000 1.262 465 I HN 0.651 nan 8.210 nan 0.000 0.443 466 S N 4.902 120.460 115.700 -0.237 0.000 2.525 466 S HA 0.451 4.922 4.470 0.002 0.000 0.278 466 S C -0.483 173.930 174.600 -0.311 0.000 1.234 466 S CA -0.551 57.550 58.200 -0.164 0.000 1.058 466 S CB 0.638 63.866 63.200 0.047 0.000 0.983 466 S HN 0.427 nan 8.310 nan 0.000 0.495 467 H N 2.447 121.383 119.070 -0.222 0.000 2.762 467 H HA 0.432 4.989 4.556 0.002 0.000 0.310 467 H C -1.236 173.995 175.328 -0.162 0.000 1.004 467 H CA -0.529 55.457 56.048 -0.103 0.000 1.267 467 H CB 0.961 30.683 29.762 -0.067 0.000 1.437 467 H HN 0.235 nan 8.280 nan 0.000 0.498 468 L N 3.301 124.548 121.223 0.040 0.000 2.362 468 L HA 0.495 4.836 4.340 0.002 0.000 0.271 468 L C 0.089 176.928 176.870 -0.051 0.000 1.002 468 L CA -0.437 54.365 54.840 -0.063 0.000 0.818 468 L CB 1.939 44.026 42.059 0.048 0.000 1.298 468 L HN 0.445 nan 8.230 nan 0.000 0.420 469 R N 2.145 122.470 120.500 -0.291 0.000 2.725 469 R HA 0.744 5.085 4.340 0.002 0.000 0.277 469 R C -1.729 174.298 176.300 -0.455 0.000 0.987 469 R CA -0.689 55.304 56.100 -0.178 0.000 0.901 469 R CB 2.287 32.519 30.300 -0.113 0.000 1.207 469 R HN 0.316 nan 8.270 nan 0.000 0.463 470 F N -0.301 119.709 119.950 0.100 0.000 2.578 470 F HA 0.746 5.274 4.527 0.001 0.000 0.311 470 F C 0.464 176.332 175.800 0.113 0.000 1.094 470 F CA -0.597 57.471 58.000 0.113 0.000 0.923 470 F CB 2.909 41.973 39.000 0.106 0.000 1.230 470 F HN 0.666 nan 8.300 nan 0.000 0.450 471 G N 1.122 110.117 108.800 0.325 0.000 2.576 471 G HA2 0.357 4.318 3.960 0.002 0.000 0.290 471 G HA3 0.357 4.318 3.960 0.002 0.000 0.290 471 G C -0.440 174.652 174.900 0.320 0.000 1.442 471 G CA -0.673 44.578 45.100 0.252 0.000 0.792 471 G HN 0.399 nan 8.290 nan 0.000 0.491 472 E N -0.303 120.045 120.200 0.246 0.000 2.216 472 E HA 0.017 4.368 4.350 0.002 0.000 0.192 472 E C 0.529 177.360 176.600 0.386 0.000 0.988 472 E CA 0.803 57.367 56.400 0.273 0.000 0.834 472 E CB 0.204 30.000 29.700 0.160 0.000 0.772 472 E HN 0.249 nan 8.360 nan 0.000 0.479 473 K N 1.147 121.658 120.400 0.185 0.000 2.123 473 K HA 0.423 4.744 4.320 0.002 0.000 0.248 473 K C -2.512 173.749 176.600 -0.565 0.000 0.969 473 K CA -2.602 53.628 56.287 -0.095 0.000 0.882 473 K CB 0.465 32.927 32.500 -0.063 0.000 1.080 473 K HN -0.205 nan 8.250 nan 0.000 0.441 474 P HA 0.091 nan 4.420 nan 0.000 0.266 474 P C -0.399 176.645 177.300 -0.427 0.000 1.195 474 P CA 0.270 62.715 63.100 -1.091 0.000 0.768 474 P CB 0.305 31.595 31.700 -0.683 0.000 0.838 475 I N 3.313 123.724 120.570 -0.266 0.000 2.307 475 I HA 0.158 4.329 4.170 0.002 0.000 0.289 475 I C 1.131 177.199 176.117 -0.081 0.000 1.021 475 I CA 0.128 61.356 61.300 -0.120 0.000 1.224 475 I CB 0.640 38.596 38.000 -0.074 0.000 1.376 475 I HN 0.290 nan 8.210 nan 0.000 0.470 476 Q N 3.197 122.966 119.800 -0.052 0.000 2.188 476 Q HA 0.170 4.511 4.340 0.002 0.000 0.212 476 Q C 0.131 176.144 176.000 0.022 0.000 0.846 476 Q CA -0.113 55.691 55.803 0.001 0.000 0.989 476 Q CB 0.558 29.313 28.738 0.029 0.000 1.114 476 Q HN 0.593 nan 8.270 nan 0.000 0.488 477 S N 2.093 117.747 115.700 -0.076 0.000 3.900 477 S HA 0.014 4.485 4.470 0.002 0.000 0.248 477 S C 0.622 174.994 174.600 -0.380 0.000 1.310 477 S CA -0.133 57.900 58.200 -0.278 0.000 0.915 477 S CB -0.340 62.543 63.200 -0.528 0.000 1.588 477 S HN 0.277 nan 8.310 nan 0.000 0.472 478 T N 1.209 115.734 114.554 -0.048 0.000 4.309 478 T HA 0.412 4.763 4.350 0.002 0.000 0.242 478 T C -0.284 174.447 174.700 0.051 0.000 1.142 478 T CA -0.585 61.502 62.100 -0.020 0.000 1.042 478 T CB -1.198 67.732 68.868 0.104 0.000 1.366 478 T HN 0.576 nan 8.240 nan 0.000 0.942 479 Y N -1.429 118.784 120.300 -0.144 0.000 2.677 479 Y HA 0.605 5.156 4.550 0.002 0.000 0.334 479 Y C -1.049 174.700 175.900 -0.252 0.000 1.196 479 Y CA -2.130 55.861 58.100 -0.182 0.000 1.059 479 Y CB 0.635 39.034 38.460 -0.102 0.000 1.315 479 Y HN 0.078 nan 8.280 nan 0.000 0.455 480 L N 2.053 123.163 121.223 -0.188 0.000 2.473 480 L HA 0.312 4.653 4.340 0.002 0.000 0.268 480 L C 0.024 176.843 176.870 -0.086 0.000 1.215 480 L CA -1.036 53.568 54.840 -0.393 0.000 0.823 480 L CB 0.421 42.182 42.059 -0.497 0.000 1.099 480 L HN 0.541 nan 8.230 nan 0.000 0.483 481 V N 1.930 121.890 119.914 0.076 0.000 2.572 481 V HA -0.023 4.098 4.120 0.002 0.000 0.291 481 V C 0.599 176.819 176.094 0.211 0.000 1.039 481 V CA 0.240 62.654 62.300 0.189 0.000 1.055 481 V CB 0.923 32.902 31.823 0.260 0.000 0.969 481 V HN 0.997 nan 8.190 nan 0.000 0.482 482 N N 3.258 122.064 118.700 0.177 0.000 2.193 482 N HA 0.138 4.879 4.740 0.002 0.000 0.210 482 N C 0.308 175.880 175.510 0.104 0.000 1.215 482 N CA -0.260 52.873 53.050 0.138 0.000 0.901 482 N CB 0.549 39.106 38.487 0.116 0.000 1.060 482 N HN 0.556 nan 8.380 nan 0.000 0.508 483 R N 0.644 121.206 120.500 0.104 0.000 2.607 483 R HA 0.599 4.940 4.340 0.002 0.000 0.278 483 R C -1.247 175.106 176.300 0.089 0.000 1.637 483 R CA -0.457 55.689 56.100 0.077 0.000 1.325 483 R CB 1.591 31.924 30.300 0.056 0.000 1.211 483 R HN 0.192 nan 8.270 nan 0.000 0.565 484 A N 1.147 124.021 122.820 0.091 0.000 2.304 484 A HA 0.259 4.580 4.320 0.002 0.000 0.301 484 A C 0.325 177.978 177.584 0.115 0.000 1.132 484 A CA -0.546 51.555 52.037 0.107 0.000 0.819 484 A CB 0.569 19.629 19.000 0.100 0.000 1.094 484 A HN 0.638 nan 8.150 nan 0.000 0.492 485 D N -0.866 119.626 120.400 0.153 0.000 2.301 485 D HA 0.051 4.692 4.640 0.002 0.000 0.206 485 D C -0.768 175.675 176.300 0.238 0.000 0.979 485 D CA 1.432 55.535 54.000 0.171 0.000 0.874 485 D CB 0.330 41.232 40.800 0.170 0.000 0.968 485 D HN 0.560 nan 8.370 nan 0.000 0.510 486 Y N 1.015 121.365 120.300 0.084 0.000 2.386 486 Y HA 0.373 4.924 4.550 0.001 0.000 0.334 486 Y C -1.565 174.342 175.900 0.013 0.000 1.002 486 Y CA -0.715 57.429 58.100 0.072 0.000 1.068 486 Y CB 1.622 40.123 38.460 0.068 0.000 1.203 486 Y HN -0.397 nan 8.280 nan 0.000 0.443 487 V N 5.455 125.146 119.914 -0.372 0.000 2.577 487 V HA 0.853 4.974 4.120 0.002 0.000 0.303 487 V C -0.736 175.197 176.094 -0.269 0.000 1.042 487 V CA -0.527 61.638 62.300 -0.225 0.000 0.872 487 V CB 1.456 33.269 31.823 -0.017 0.000 0.998 487 V HN 0.924 nan 8.190 nan 0.000 0.423 488 A N 3.281 125.965 122.820 -0.226 0.000 2.343 488 A HA 0.679 5.000 4.320 0.002 0.000 0.316 488 A C -0.562 177.163 177.584 0.235 0.000 1.104 488 A CA -0.434 51.609 52.037 0.009 0.000 0.768 488 A CB 1.414 20.523 19.000 0.181 0.000 1.213 488 A HN 0.966 nan 8.150 nan 0.000 0.456 489 C N 3.353 122.850 119.300 0.328 0.000 2.258 489 C HA 0.499 4.960 4.460 0.002 0.000 0.321 489 C C 0.951 176.164 174.990 0.372 0.000 1.168 489 C CA -0.369 58.862 59.018 0.355 0.000 1.531 489 C CB -1.638 26.309 27.740 0.344 0.000 2.095 489 C HN 1.008 nan 8.230 nan 0.000 0.449 490 H N 2.531 121.744 119.070 0.237 0.000 2.551 490 H HA 0.081 4.638 4.556 0.002 0.000 0.266 490 H C 0.358 175.671 175.328 -0.025 0.000 0.977 490 H CA 0.103 56.223 56.048 0.120 0.000 1.163 490 H CB 0.323 30.193 29.762 0.180 0.000 1.381 490 H HN 0.556 nan 8.280 nan 0.000 0.581 491 N N 0.880 119.564 118.700 -0.026 0.000 2.491 491 N HA 0.065 4.806 4.740 0.002 0.000 0.274 491 N C -1.964 173.382 175.510 -0.273 0.000 1.023 491 N CA -2.538 50.317 53.050 -0.326 0.000 0.902 491 N CB 1.702 39.646 38.487 -0.905 0.000 1.267 491 N HN -0.098 nan 8.380 nan 0.000 0.503 492 P HA -0.144 nan 4.420 nan 0.000 0.219 492 P C 0.834 178.185 177.300 0.085 0.000 1.146 492 P CA 0.909 63.905 63.100 -0.173 0.000 0.808 492 P CB 0.264 31.637 31.700 -0.546 0.000 0.779 493 A N -1.039 121.797 122.820 0.027 0.000 2.125 493 A HA -0.154 4.167 4.320 0.002 0.000 0.219 493 A C 2.150 179.923 177.584 0.314 0.000 1.156 493 A CA 0.807 52.945 52.037 0.168 0.000 0.671 493 A CB -1.683 17.390 19.000 0.122 0.000 0.794 493 A HN 0.254 nan 8.150 nan 0.000 0.459 494 Y N -0.281 120.149 120.300 0.216 0.000 2.314 494 Y HA -0.158 4.393 4.550 0.002 0.000 0.293 494 Y C 2.587 178.552 175.900 0.107 0.000 1.129 494 Y CA 0.641 58.892 58.100 0.251 0.000 1.201 494 Y CB -0.198 38.453 38.460 0.318 0.000 0.999 494 Y HN 0.294 nan 8.280 nan 0.000 0.541 495 V N -1.886 118.193 119.914 0.274 0.000 2.453 495 V HA -0.198 3.923 4.120 0.002 0.000 0.252 495 V C 1.961 178.089 176.094 0.056 0.000 1.068 495 V CA 2.146 64.538 62.300 0.153 0.000 1.070 495 V CB -1.384 30.593 31.823 0.258 0.000 0.664 495 V HN 0.346 nan 8.190 nan 0.000 0.461 496 G N 0.053 108.900 108.800 0.079 0.000 2.985 496 G HA2 0.223 4.184 3.960 0.002 0.000 0.209 496 G HA3 0.223 4.184 3.960 0.002 0.000 0.209 496 G C 1.319 176.175 174.900 -0.074 0.000 1.165 496 G CA 0.800 45.898 45.100 -0.004 0.000 0.776 496 G HN 0.776 nan 8.290 nan 0.000 0.541 497 I N -4.912 115.576 120.570 -0.136 0.000 4.197 497 I HA 0.450 4.621 4.170 0.002 0.000 0.307 497 I C 0.025 175.853 176.117 -0.480 0.000 1.236 497 I CA -0.539 60.547 61.300 -0.356 0.000 1.321 497 I CB 0.476 38.145 38.000 -0.551 0.000 1.309 497 I HN -0.121 nan 8.210 nan 0.000 0.450 498 Y N 1.864 122.129 120.300 -0.059 0.000 2.487 498 Y HA 0.454 5.005 4.550 0.001 0.000 0.337 498 Y C -0.284 175.472 175.900 -0.240 0.000 1.076 498 Y CA -0.900 57.126 58.100 -0.123 0.000 1.115 498 Y CB 0.973 39.344 38.460 -0.147 0.000 1.235 498 Y HN -0.107 nan 8.280 nan 0.000 0.468 499 D N 2.748 123.146 120.400 -0.002 0.000 2.608 499 D HA 0.051 4.692 4.640 0.002 0.000 0.224 499 D C 1.076 177.238 176.300 -0.230 0.000 1.123 499 D CA 0.060 54.000 54.000 -0.100 0.000 1.030 499 D CB -0.324 40.468 40.800 -0.014 0.000 1.093 499 D HN 0.588 nan 8.370 nan 0.000 0.497 500 I N -1.358 118.900 120.570 -0.520 0.000 2.614 500 I HA -0.128 4.043 4.170 0.002 0.000 0.258 500 I C 1.137 176.953 176.117 -0.502 0.000 1.189 500 I CA 0.857 61.634 61.300 -0.871 0.000 1.462 500 I CB -0.120 37.268 38.000 -1.020 0.000 1.092 500 I HN 0.181 nan 8.210 nan 0.000 0.442 501 L N 1.299 122.264 121.223 -0.429 0.000 2.628 501 L HA 0.239 4.580 4.340 0.002 0.000 0.229 501 L C 0.880 177.644 176.870 -0.177 0.000 1.137 501 L CA -0.099 54.517 54.840 -0.374 0.000 0.909 501 L CB -0.377 41.393 42.059 -0.481 0.000 1.137 501 L HN 0.296 nan 8.230 nan 0.000 0.470 502 E N 1.117 121.261 120.200 -0.094 0.000 2.585 502 E HA -0.004 4.347 4.350 0.002 0.000 0.252 502 E C 1.267 177.871 176.600 0.008 0.000 0.981 502 E CA 0.817 57.205 56.400 -0.020 0.000 0.943 502 E CB 0.293 30.019 29.700 0.043 0.000 0.923 502 E HN 0.399 nan 8.360 nan 0.000 0.486 503 G N 4.363 113.161 108.800 -0.003 0.000 2.189 503 G HA2 -0.342 3.619 3.960 0.002 0.000 0.267 503 G HA3 -0.342 3.619 3.960 0.002 0.000 0.267 503 G C 0.469 175.378 174.900 0.015 0.000 0.975 503 G CA 0.277 45.386 45.100 0.014 0.000 0.644 503 G HN 0.685 nan 8.290 nan 0.000 0.537 504 I N 1.305 121.870 120.570 -0.009 0.000 2.845 504 I HA 0.161 4.332 4.170 0.002 0.000 0.296 504 I C 0.991 177.119 176.117 0.017 0.000 1.216 504 I CA -0.003 61.298 61.300 0.002 0.000 1.438 504 I CB 0.258 38.232 38.000 -0.044 0.000 1.342 504 I HN 0.160 nan 8.210 nan 0.000 0.577 505 K N 5.761 126.187 120.400 0.043 0.000 2.380 505 K HA 0.057 4.378 4.320 0.002 0.000 0.267 505 K C -0.504 176.127 176.600 0.052 0.000 0.990 505 K CA -0.529 55.786 56.287 0.048 0.000 0.946 505 K CB 0.202 32.740 32.500 0.063 0.000 0.937 505 K HN 0.503 nan 8.250 nan 0.000 0.491 506 D N 0.668 121.096 120.400 0.047 0.000 2.458 506 D HA 0.070 4.711 4.640 0.002 0.000 0.243 506 D C 1.201 177.547 176.300 0.077 0.000 1.146 506 D CA 1.246 55.279 54.000 0.054 0.000 0.877 506 D CB 0.676 41.503 40.800 0.046 0.000 1.176 506 D HN 0.754 nan 8.370 nan 0.000 0.461 507 G N 1.626 110.484 108.800 0.096 0.000 2.162 507 G HA2 -0.193 3.768 3.960 0.002 0.000 0.260 507 G HA3 -0.193 3.768 3.960 0.002 0.000 0.260 507 G C 0.805 175.791 174.900 0.144 0.000 0.976 507 G CA 0.196 45.369 45.100 0.121 0.000 0.655 507 G HN 0.817 nan 8.290 nan 0.000 0.533 508 G N -1.070 107.811 108.800 0.136 0.000 2.683 508 G HA2 0.509 4.470 3.960 0.002 0.000 0.260 508 G HA3 0.509 4.470 3.960 0.002 0.000 0.260 508 G C 0.028 175.059 174.900 0.218 0.000 1.238 508 G CA 0.708 45.903 45.100 0.158 0.000 0.934 508 G HN 0.602 nan 8.290 nan 0.000 0.534 509 T N 0.397 115.097 114.554 0.244 0.000 2.797 509 T HA 0.433 4.784 4.350 0.002 0.000 0.279 509 T C -1.363 173.484 174.700 0.245 0.000 0.991 509 T CA -0.064 62.222 62.100 0.311 0.000 0.979 509 T CB 1.080 70.161 68.868 0.356 0.000 0.943 509 T HN 0.351 nan 8.240 nan 0.000 0.444 510 F N 4.780 124.831 119.950 0.168 0.000 2.460 510 F HA 0.658 5.186 4.527 0.002 0.000 0.341 510 F C -1.216 174.736 175.800 0.254 0.000 1.130 510 F CA -1.493 56.564 58.000 0.095 0.000 0.962 510 F CB 0.830 39.896 39.000 0.110 0.000 1.171 510 F HN 0.253 nan 8.300 nan 0.000 0.436 511 V N 7.464 127.256 119.914 -0.204 0.000 2.435 511 V HA 0.514 4.635 4.120 0.002 0.000 0.290 511 V C -0.850 175.015 176.094 -0.381 0.000 1.030 511 V CA -0.732 61.435 62.300 -0.221 0.000 0.881 511 V CB 1.462 33.251 31.823 -0.057 0.000 0.983 511 V HN 0.701 nan 8.190 nan 0.000 0.445 512 L N 4.693 125.695 121.223 -0.367 0.000 2.365 512 L HA 0.663 5.003 4.340 0.002 0.000 0.273 512 L C -0.494 176.292 176.870 -0.140 0.000 1.000 512 L CA -0.305 54.389 54.840 -0.243 0.000 0.819 512 L CB 1.953 43.886 42.059 -0.209 0.000 1.284 512 L HN 0.686 nan 8.230 nan 0.000 0.418 513 N N 2.843 121.489 118.700 -0.091 0.000 2.426 513 N HA 0.709 5.450 4.740 0.002 0.000 0.257 513 N C -1.321 174.017 175.510 -0.287 0.000 1.002 513 N CA 0.368 53.334 53.050 -0.141 0.000 0.942 513 N CB 0.891 39.325 38.487 -0.087 0.000 1.112 513 N HN 0.808 nan 8.380 nan 0.000 0.499 514 S N 2.542 118.016 115.700 -0.376 0.000 2.595 514 S HA 0.500 4.971 4.470 0.002 0.000 0.270 514 S C -2.877 171.392 174.600 -0.552 0.000 1.145 514 S CA -0.904 56.865 58.200 -0.717 0.000 0.825 514 S CB 1.944 64.401 63.200 -1.238 0.000 1.107 514 S HN 0.394 nan 8.310 nan 0.000 0.461 515 P HA 0.276 nan 4.420 nan 0.000 0.261 515 P C -0.521 176.724 177.300 -0.091 0.000 1.352 515 P CA 0.029 62.952 63.100 -0.295 0.000 0.891 515 P CB -0.202 31.367 31.700 -0.217 0.000 1.383 516 W N 1.270 122.548 121.300 -0.037 0.000 1.496 516 W HA 0.257 4.918 4.660 0.002 0.000 0.422 516 W C 0.972 177.564 176.519 0.121 0.000 0.638 516 W CA -0.644 56.716 57.345 0.025 0.000 2.105 516 W CB -1.189 28.276 29.460 0.008 0.000 1.639 516 W HN 0.003 nan 8.180 nan 0.000 0.304 517 S N 0.937 116.799 115.700 0.271 0.000 2.356 517 S HA -0.132 4.339 4.470 0.002 0.000 0.223 517 S C 1.334 176.123 174.600 0.315 0.000 1.032 517 S CA 1.288 59.636 58.200 0.246 0.000 1.005 517 S CB -0.219 63.062 63.200 0.134 0.000 0.867 517 S HN 0.412 nan 8.310 nan 0.000 0.449 518 S N 1.754 117.614 115.700 0.266 0.000 2.592 518 S HA 0.325 4.796 4.470 0.002 0.000 0.271 518 S C 0.888 175.692 174.600 0.341 0.000 1.326 518 S CA -0.724 57.607 58.200 0.219 0.000 1.024 518 S CB 0.910 64.201 63.200 0.151 0.000 0.921 518 S HN 0.149 nan 8.310 nan 0.000 0.527 519 L N 1.313 122.687 121.223 0.253 0.000 2.079 519 L HA -0.078 4.263 4.340 0.002 0.000 0.210 519 L C 2.431 179.509 176.870 0.347 0.000 1.081 519 L CA 2.206 57.276 54.840 0.384 0.000 0.752 519 L CB -1.092 41.061 42.059 0.156 0.000 0.896 519 L HN 1.029 nan 8.230 nan 0.000 0.433 520 E N -0.693 119.641 120.200 0.224 0.000 2.038 520 E HA -0.264 4.087 4.350 0.002 0.000 0.195 520 E C 1.677 178.387 176.600 0.183 0.000 1.000 520 E CA 1.723 58.227 56.400 0.173 0.000 0.803 520 E CB -0.047 29.726 29.700 0.122 0.000 0.750 520 E HN 0.563 nan 8.360 nan 0.000 0.448 521 D N -0.015 120.520 120.400 0.225 0.000 2.144 521 D HA -0.156 4.485 4.640 0.002 0.000 0.200 521 D C 1.832 178.275 176.300 0.239 0.000 0.978 521 D CA 0.949 55.097 54.000 0.246 0.000 0.833 521 D CB -0.225 40.766 40.800 0.318 0.000 0.961 521 D HN 0.187 nan 8.370 nan 0.000 0.470 522 M N 0.827 120.634 119.600 0.345 0.000 2.117 522 M HA -0.122 4.359 4.480 0.002 0.000 0.262 522 M C 1.047 177.455 176.300 0.181 0.000 1.065 522 M CA 1.480 56.978 55.300 0.330 0.000 1.114 522 M CB -0.236 32.660 32.600 0.494 0.000 1.361 522 M HN -0.226 nan 8.290 nan 0.000 0.408 523 D N -0.070 120.481 120.400 0.251 0.000 2.144 523 D HA -0.190 4.451 4.640 0.002 0.000 0.199 523 D C 1.891 178.154 176.300 -0.062 0.000 0.984 523 D CA 1.184 55.265 54.000 0.135 0.000 0.834 523 D CB -0.301 40.626 40.800 0.212 0.000 0.955 523 D HN 0.480 nan 8.370 nan 0.000 0.465 524 K N -0.562 119.777 120.400 -0.101 0.000 2.288 524 K HA -0.103 4.218 4.320 0.002 0.000 0.201 524 K C 1.239 177.508 176.600 -0.552 0.000 1.048 524 K CA 0.969 57.087 56.287 -0.282 0.000 0.956 524 K CB 0.144 32.479 32.500 -0.275 0.000 0.746 524 K HN 0.212 nan 8.250 nan 0.000 0.461 525 H N -0.702 118.054 119.070 -0.523 0.000 2.615 525 H HA 0.240 4.797 4.556 0.002 0.000 0.275 525 H C -0.127 174.848 175.328 -0.590 0.000 0.981 525 H CA -0.208 55.347 56.048 -0.821 0.000 1.252 525 H CB 0.568 29.106 29.762 -2.039 0.000 1.447 525 H HN -0.046 nan 8.280 nan 0.000 0.498 526 L N 3.196 124.233 121.223 -0.311 0.000 2.367 526 L HA 0.198 4.539 4.340 0.002 0.000 0.275 526 L C -2.126 174.571 176.870 -0.289 0.000 1.129 526 L CA -1.917 52.777 54.840 -0.244 0.000 0.839 526 L CB 0.904 42.788 42.059 -0.292 0.000 1.133 526 L HN -0.014 nan 8.230 nan 0.000 0.453 527 P HA 0.044 nan 4.420 nan 0.000 0.272 527 P C 0.518 177.643 177.300 -0.291 0.000 1.223 527 P CA -0.320 62.644 63.100 -0.226 0.000 0.784 527 P CB 0.840 32.437 31.700 -0.172 0.000 0.923 528 S N 1.075 116.622 115.700 -0.254 0.000 2.383 528 S HA -0.170 4.301 4.470 0.002 0.000 0.229 528 S C 2.183 176.628 174.600 -0.257 0.000 1.030 528 S CA 1.508 59.547 58.200 -0.269 0.000 1.002 528 S CB -1.819 61.270 63.200 -0.186 0.000 0.829 528 S HN 0.572 nan 8.310 nan 0.000 0.467 529 G N 1.927 110.602 108.800 -0.209 0.000 2.440 529 G HA2 -0.099 3.862 3.960 0.002 0.000 0.218 529 G HA3 -0.099 3.862 3.960 0.002 0.000 0.218 529 G C 1.429 176.189 174.900 -0.232 0.000 1.154 529 G CA 1.059 46.046 45.100 -0.188 0.000 0.767 529 G HN 0.585 nan 8.290 nan 0.000 0.552 530 I N 0.206 120.608 120.570 -0.280 0.000 2.286 530 I HA -0.107 4.064 4.170 0.002 0.000 0.245 530 I C 2.786 178.658 176.117 -0.408 0.000 1.104 530 I CA 1.015 62.115 61.300 -0.333 0.000 1.397 530 I CB -0.176 37.637 38.000 -0.312 0.000 1.072 530 I HN 0.126 nan 8.210 nan 0.000 0.417 531 K N 0.819 120.891 120.400 -0.545 0.000 2.032 531 K HA -0.186 4.135 4.320 0.002 0.000 0.209 531 K C 2.264 178.683 176.600 -0.302 0.000 1.048 531 K CA 1.486 57.306 56.287 -0.777 0.000 0.927 531 K CB -0.205 31.573 32.500 -1.203 0.000 0.712 531 K HN 0.289 nan 8.250 nan 0.000 0.441 532 R N 0.138 120.498 120.500 -0.234 0.000 2.075 532 R HA -0.062 4.279 4.340 0.002 0.000 0.232 532 R C 2.428 178.669 176.300 -0.097 0.000 1.126 532 R CA 1.637 57.673 56.100 -0.106 0.000 0.963 532 R CB -0.445 29.795 30.300 -0.101 0.000 0.858 532 R HN 0.162 nan 8.270 nan 0.000 0.435 533 T N 1.326 115.788 114.554 -0.153 0.000 2.746 533 T HA -0.068 4.283 4.350 0.002 0.000 0.267 533 T C 1.891 176.506 174.700 -0.141 0.000 1.039 533 T CA 1.110 63.124 62.100 -0.143 0.000 1.142 533 T CB -0.137 68.616 68.868 -0.193 0.000 0.866 533 T HN 0.124 nan 8.240 nan 0.000 0.444 534 I N 1.285 121.731 120.570 -0.207 0.000 2.127 534 I HA -0.239 3.932 4.170 0.002 0.000 0.241 534 I C 2.910 178.875 176.117 -0.253 0.000 1.075 534 I CA 1.397 62.544 61.300 -0.254 0.000 1.334 534 I CB -0.484 37.285 38.000 -0.384 0.000 1.040 534 I HN 0.214 nan 8.210 nan 0.000 0.405 535 A N 0.803 123.517 122.820 -0.177 0.000 1.855 535 A HA -0.175 4.146 4.320 0.002 0.000 0.215 535 A C 2.073 179.717 177.584 0.101 0.000 1.191 535 A CA 1.649 53.706 52.037 0.034 0.000 0.613 535 A CB -0.682 18.438 19.000 0.200 0.000 0.829 535 A HN 0.405 nan 8.150 nan 0.000 0.442 536 N N 0.112 118.841 118.700 0.048 0.000 2.223 536 N HA -0.107 4.634 4.740 0.002 0.000 0.185 536 N C 1.178 176.715 175.510 0.045 0.000 1.016 536 N CA 1.211 54.288 53.050 0.045 0.000 0.863 536 N CB -0.215 38.281 38.487 0.015 0.000 0.983 536 N HN 0.530 nan 8.380 nan 0.000 0.429 537 K N 0.916 121.335 120.400 0.032 0.000 2.417 537 K HA 0.134 4.455 4.320 0.002 0.000 0.196 537 K C -0.211 176.442 176.600 0.088 0.000 1.023 537 K CA -0.064 56.249 56.287 0.043 0.000 1.122 537 K CB 0.346 32.855 32.500 0.014 0.000 0.850 537 K HN 0.055 nan 8.250 nan 0.000 0.521 538 K N 1.467 121.946 120.400 0.132 0.000 3.156 538 K HA -0.187 4.134 4.320 0.002 0.000 0.266 538 K C -0.444 176.293 176.600 0.227 0.000 0.966 538 K CA 0.339 56.751 56.287 0.209 0.000 0.719 538 K CB -1.714 30.876 32.500 0.150 0.000 1.333 538 K HN 0.256 nan 8.250 nan 0.000 0.468 539 L N 0.767 122.124 121.223 0.222 0.000 2.436 539 L HA 0.139 4.480 4.340 0.002 0.000 0.265 539 L C 0.836 177.930 176.870 0.373 0.000 1.168 539 L CA -0.196 54.791 54.840 0.245 0.000 0.815 539 L CB 0.417 42.586 42.059 0.185 0.000 1.109 539 L HN 0.067 nan 8.230 nan 0.000 0.462 540 K N 2.544 123.158 120.400 0.357 0.000 2.250 540 K HA 0.255 4.576 4.320 0.002 0.000 0.280 540 K C -0.863 176.020 176.600 0.473 0.000 1.098 540 K CA -0.298 56.203 56.287 0.357 0.000 0.916 540 K CB 0.523 33.250 32.500 0.378 0.000 1.209 540 K HN 0.205 nan 8.250 nan 0.000 0.461 541 F N 3.793 123.885 119.950 0.236 0.000 2.410 541 F HA 0.315 4.843 4.527 0.002 0.000 0.349 541 F C -1.073 174.741 175.800 0.023 0.000 1.117 541 F CA -1.239 56.896 58.000 0.225 0.000 1.104 541 F CB 0.437 39.632 39.000 0.326 0.000 1.122 541 F HN 0.339 nan 8.300 nan 0.000 0.483 542 Y N 4.195 124.341 120.300 -0.257 0.000 2.361 542 Y HA 0.308 4.859 4.550 0.002 0.000 0.337 542 Y C -0.368 175.166 175.900 -0.611 0.000 0.965 542 Y CA -1.024 56.864 58.100 -0.353 0.000 1.091 542 Y CB 1.685 40.090 38.460 -0.092 0.000 1.182 542 Y HN 0.610 nan 8.280 nan 0.000 0.450 543 N N 3.398 121.866 118.700 -0.385 0.000 2.372 543 N HA 0.634 5.375 4.740 0.002 0.000 0.291 543 N C -1.783 173.673 175.510 -0.091 0.000 1.024 543 N CA -0.488 52.377 53.050 -0.308 0.000 0.873 543 N CB 1.123 39.427 38.487 -0.305 0.000 1.206 543 N HN 0.722 nan 8.380 nan 0.000 0.486 544 I N 1.874 122.391 120.570 -0.088 0.000 2.534 544 I HA 0.279 4.450 4.170 0.002 0.000 0.288 544 I C -1.145 174.921 176.117 -0.084 0.000 1.077 544 I CA -0.709 60.563 61.300 -0.047 0.000 1.051 544 I CB 1.485 39.475 38.000 -0.015 0.000 1.234 544 I HN 0.521 nan 8.210 nan 0.000 0.425 545 D N 6.693 127.051 120.400 -0.071 0.000 2.551 545 D HA 0.258 4.899 4.640 0.002 0.000 0.223 545 D C 1.031 177.285 176.300 -0.077 0.000 1.144 545 D CA 0.300 54.242 54.000 -0.096 0.000 1.025 545 D CB 1.206 41.964 40.800 -0.069 0.000 1.085 545 D HN 0.684 nan 8.370 nan 0.000 0.506 546 A N 2.595 125.362 122.820 -0.088 0.000 1.940 546 A HA -0.151 4.170 4.320 0.002 0.000 0.219 546 A C 2.290 179.835 177.584 -0.066 0.000 1.176 546 A CA 1.095 53.089 52.037 -0.072 0.000 0.631 546 A CB -0.300 18.649 19.000 -0.085 0.000 0.814 546 A HN 0.440 nan 8.150 nan 0.000 0.446 547 V N 0.286 120.153 119.914 -0.078 0.000 2.343 547 V HA -0.280 3.841 4.120 0.002 0.000 0.247 547 V C 2.541 178.605 176.094 -0.050 0.000 1.051 547 V CA 2.407 64.669 62.300 -0.063 0.000 1.036 547 V CB -0.662 31.118 31.823 -0.072 0.000 0.654 547 V HN 0.720 nan 8.190 nan 0.000 0.451 548 K N 0.137 120.507 120.400 -0.051 0.000 2.026 548 K HA -0.159 4.162 4.320 0.002 0.000 0.208 548 K C 2.142 178.723 176.600 -0.031 0.000 1.048 548 K CA 1.829 58.094 56.287 -0.036 0.000 0.929 548 K CB -0.255 32.226 32.500 -0.033 0.000 0.713 548 K HN 0.408 nan 8.250 nan 0.000 0.439 549 I N 1.160 121.711 120.570 -0.033 0.000 2.179 549 I HA -0.276 3.895 4.170 0.002 0.000 0.242 549 I C 2.572 178.670 176.117 -0.033 0.000 1.088 549 I CA 1.272 62.555 61.300 -0.028 0.000 1.357 549 I CB -0.464 37.521 38.000 -0.025 0.000 1.051 549 I HN 0.298 nan 8.210 nan 0.000 0.409 550 A N 0.309 123.106 122.820 -0.038 0.000 1.908 550 A HA -0.230 4.091 4.320 0.002 0.000 0.218 550 A C 2.383 179.944 177.584 -0.038 0.000 1.181 550 A CA 2.594 54.606 52.037 -0.041 0.000 0.627 550 A CB -1.137 17.838 19.000 -0.042 0.000 0.818 550 A HN 0.396 nan 8.150 nan 0.000 0.445 551 T N -0.545 113.989 114.554 -0.033 0.000 2.746 551 T HA -0.139 4.212 4.350 0.002 0.000 0.267 551 T C 1.683 176.367 174.700 -0.027 0.000 1.039 551 T CA 1.726 63.809 62.100 -0.029 0.000 1.142 551 T CB -0.406 68.448 68.868 -0.024 0.000 0.866 551 T HN 0.662 nan 8.240 nan 0.000 0.444 552 D N 0.930 121.314 120.400 -0.026 0.000 2.178 552 D HA -0.096 4.545 4.640 0.002 0.000 0.201 552 D C 1.982 178.266 176.300 -0.026 0.000 0.980 552 D CA 1.083 55.070 54.000 -0.022 0.000 0.842 552 D CB -0.044 40.744 40.800 -0.019 0.000 0.948 552 D HN 0.371 nan 8.370 nan 0.000 0.472 553 V N -3.619 116.275 119.914 -0.033 0.000 3.623 553 V HA 0.456 4.577 4.120 0.002 0.000 0.271 553 V C 1.527 177.594 176.094 -0.046 0.000 1.248 553 V CA 0.681 62.957 62.300 -0.040 0.000 1.156 553 V CB -0.177 31.617 31.823 -0.048 0.000 0.870 553 V HN 0.287 nan 8.190 nan 0.000 0.453 554 G N 0.726 109.501 108.800 -0.042 0.000 2.159 554 G HA2 -0.224 3.737 3.960 0.002 0.000 0.227 554 G HA3 -0.224 3.737 3.960 0.002 0.000 0.227 554 G C 0.367 175.237 174.900 -0.050 0.000 0.986 554 G CA 0.261 45.336 45.100 -0.043 0.000 0.651 554 G HN 0.517 nan 8.290 nan 0.000 0.523 555 L N 0.938 122.128 121.223 -0.055 0.000 2.627 555 L HA 0.376 4.717 4.340 0.002 0.000 0.232 555 L C 2.018 178.863 176.870 -0.043 0.000 1.150 555 L CA 0.498 55.302 54.840 -0.060 0.000 0.917 555 L CB -0.279 41.738 42.059 -0.071 0.000 1.104 555 L HN 0.827 nan 8.230 nan 0.000 0.445 556 G N 0.583 109.363 108.800 -0.035 0.000 2.356 556 G HA2 -0.241 3.719 3.960 0.002 0.000 0.296 556 G HA3 -0.241 3.719 3.960 0.002 0.000 0.296 556 G C 1.059 175.944 174.900 -0.024 0.000 1.022 556 G CA 0.485 45.570 45.100 -0.026 0.000 0.961 556 G HN 0.676 nan 8.290 nan 0.000 0.510 557 G N -1.549 107.234 108.800 -0.029 0.000 2.205 557 G HA2 -0.311 3.650 3.960 0.002 0.000 0.261 557 G HA3 -0.311 3.650 3.960 0.002 0.000 0.261 557 G C 0.688 175.570 174.900 -0.029 0.000 0.980 557 G CA 0.698 45.780 45.100 -0.030 0.000 0.632 557 G HN 0.949 nan 8.290 nan 0.000 0.533 558 R N 0.869 121.353 120.500 -0.026 0.000 2.458 558 R HA 0.271 4.612 4.340 0.002 0.000 0.303 558 R C 1.924 178.208 176.300 -0.026 0.000 1.013 558 R CA 0.332 56.421 56.100 -0.019 0.000 1.026 558 R CB -0.034 30.257 30.300 -0.014 0.000 0.948 558 R HN 0.754 nan 8.270 nan 0.000 0.417 559 I N 0.844 121.397 120.570 -0.027 0.000 3.603 559 I HA -0.084 4.087 4.170 0.002 0.000 0.297 559 I C 1.565 177.654 176.117 -0.047 0.000 1.269 559 I CA 0.125 61.397 61.300 -0.046 0.000 1.361 559 I CB -0.154 37.806 38.000 -0.067 0.000 1.063 559 I HN 0.397 nan 8.210 nan 0.000 0.448 560 N N 2.323 121.015 118.700 -0.012 0.000 2.060 560 N HA -0.313 4.428 4.740 0.002 0.000 0.195 560 N C 1.729 177.255 175.510 0.027 0.000 1.028 560 N CA 1.994 55.051 53.050 0.013 0.000 0.861 560 N CB -0.566 37.951 38.487 0.050 0.000 1.029 560 N HN 0.383 nan 8.380 nan 0.000 0.428 561 M N 0.489 120.104 119.600 0.024 0.000 2.229 561 M HA 0.089 4.570 4.480 0.002 0.000 0.264 561 M C 1.706 178.021 176.300 0.026 0.000 1.063 561 M CA 0.906 56.224 55.300 0.031 0.000 1.114 561 M CB -0.284 32.310 32.600 -0.010 0.000 1.387 561 M HN 0.082 nan 8.290 nan 0.000 0.420 562 I N -0.453 120.116 120.570 -0.002 0.000 2.202 562 I HA -0.250 3.921 4.170 0.002 0.000 0.242 562 I C 1.980 178.112 176.117 0.025 0.000 1.091 562 I CA 1.201 62.502 61.300 0.001 0.000 1.368 562 I CB -0.642 37.342 38.000 -0.026 0.000 1.058 562 I HN 0.245 nan 8.210 nan 0.000 0.410 563 M N -0.513 119.072 119.600 -0.024 0.000 2.394 563 M HA -0.135 4.346 4.480 0.002 0.000 0.264 563 M C 2.243 178.664 176.300 0.203 0.000 1.073 563 M CA 1.271 56.557 55.300 -0.023 0.000 1.111 563 M CB -1.285 31.026 32.600 -0.482 0.000 1.401 563 M HN 0.283 nan 8.290 nan 0.000 0.448 564 Q N 0.508 120.425 119.800 0.196 0.000 2.079 564 Q HA -0.077 4.264 4.340 0.002 0.000 0.200 564 Q C 1.773 178.037 176.000 0.440 0.000 0.974 564 Q CA 2.202 58.210 55.803 0.341 0.000 0.840 564 Q CB -0.310 28.580 28.738 0.254 0.000 0.898 564 Q HN 0.451 nan 8.270 nan 0.000 0.430 565 T N 0.450 115.153 114.554 0.248 0.000 2.788 565 T HA -0.116 4.235 4.350 0.002 0.000 0.268 565 T C 1.746 176.568 174.700 0.202 0.000 1.044 565 T CA 1.239 63.454 62.100 0.191 0.000 1.139 565 T CB -0.608 68.308 68.868 0.080 0.000 0.867 565 T HN 0.472 nan 8.240 nan 0.000 0.454 566 A N 1.353 124.295 122.820 0.204 0.000 1.908 566 A HA -0.081 4.240 4.320 0.002 0.000 0.218 566 A C 2.011 179.721 177.584 0.210 0.000 1.181 566 A CA 1.630 53.780 52.037 0.188 0.000 0.627 566 A CB -0.988 18.151 19.000 0.231 0.000 0.818 566 A HN 0.514 nan 8.150 nan 0.000 0.445 567 F N -0.465 119.583 119.950 0.164 0.000 2.075 567 F HA -0.127 4.401 4.527 0.002 0.000 0.297 567 F C 1.888 177.545 175.800 -0.239 0.000 1.113 567 F CA 1.663 59.586 58.000 -0.129 0.000 1.218 567 F CB -0.582 38.461 39.000 0.072 0.000 0.984 567 F HN 0.183 nan 8.300 nan 0.000 0.472 568 F N 0.949 120.682 119.950 -0.362 0.000 2.171 568 F HA -0.132 4.396 4.527 0.002 0.000 0.300 568 F C 2.587 178.164 175.800 -0.372 0.000 1.090 568 F CA 1.992 59.706 58.000 -0.475 0.000 1.293 568 F CB -0.538 38.354 39.000 -0.179 0.000 1.013 568 F HN -0.013 nan 8.300 nan 0.000 0.486 569 K N 0.190 120.564 120.400 -0.044 0.000 2.137 569 K HA 0.004 4.325 4.320 0.002 0.000 0.202 569 K C 1.564 178.128 176.600 -0.061 0.000 1.052 569 K CA 0.953 57.244 56.287 0.007 0.000 0.961 569 K CB 0.071 32.630 32.500 0.098 0.000 0.741 569 K HN 0.284 nan 8.250 nan 0.000 0.452 570 L N -0.478 120.652 121.223 -0.155 0.000 2.609 570 L HA 0.274 4.615 4.340 0.002 0.000 0.230 570 L C 2.102 178.884 176.870 -0.145 0.000 1.087 570 L CA 0.176 54.938 54.840 -0.129 0.000 0.874 570 L CB 0.233 42.197 42.059 -0.158 0.000 1.114 570 L HN 0.048 nan 8.230 nan 0.000 0.488 571 A N 0.615 123.135 122.820 -0.499 0.000 2.121 571 A HA 0.109 4.430 4.320 0.002 0.000 0.218 571 A C 1.922 179.352 177.584 -0.256 0.000 1.154 571 A CA 1.149 52.851 52.037 -0.558 0.000 0.679 571 A CB -0.683 17.691 19.000 -1.044 0.000 0.795 571 A HN 0.545 nan 8.150 nan 0.000 0.458 572 G N -2.191 106.467 108.800 -0.237 0.000 2.143 572 G HA2 -0.259 3.702 3.960 0.002 0.000 0.248 572 G HA3 -0.259 3.702 3.960 0.002 0.000 0.248 572 G C 0.797 175.607 174.900 -0.150 0.000 0.991 572 G CA 0.547 45.575 45.100 -0.121 0.000 0.689 572 G HN 0.716 nan 8.290 nan 0.000 0.522 573 V N -0.530 119.202 119.914 -0.303 0.000 2.649 573 V HA 0.328 4.449 4.120 0.002 0.000 0.248 573 V C 1.400 177.360 176.094 -0.223 0.000 1.054 573 V CA 1.850 63.971 62.300 -0.299 0.000 1.073 573 V CB -0.096 31.367 31.823 -0.601 0.000 0.699 573 V HN 0.427 nan 8.190 nan 0.000 0.463 574 L N 0.171 121.259 121.223 -0.226 0.000 2.376 574 L HA 0.498 4.839 4.340 0.002 0.000 0.258 574 L C -2.589 174.240 176.870 -0.068 0.000 1.013 574 L CA -1.848 52.918 54.840 -0.124 0.000 0.822 574 L CB 2.233 44.221 42.059 -0.117 0.000 1.388 574 L HN -0.039 nan 8.230 nan 0.000 0.413 575 P HA 0.021 nan 4.420 nan 0.000 0.271 575 P C 0.623 177.954 177.300 0.052 0.000 1.218 575 P CA -0.212 62.908 63.100 0.034 0.000 0.780 575 P CB 0.839 32.561 31.700 0.037 0.000 0.901 576 F N 2.236 122.171 119.950 -0.024 0.000 2.063 576 F HA -0.275 4.253 4.527 0.002 0.000 0.298 576 F C 2.408 178.203 175.800 -0.009 0.000 1.105 576 F CA 2.407 60.397 58.000 -0.017 0.000 1.215 576 F CB -0.280 38.713 39.000 -0.011 0.000 0.972 576 F HN 0.489 nan 8.300 nan 0.000 0.483 577 E N 0.028 120.266 120.200 0.062 0.000 2.058 577 E HA -0.325 4.026 4.350 0.002 0.000 0.194 577 E C 2.203 178.719 176.600 -0.141 0.000 0.997 577 E CA 1.580 57.947 56.400 -0.054 0.000 0.801 577 E CB -0.212 29.539 29.700 0.085 0.000 0.746 577 E HN 0.264 nan 8.360 nan 0.000 0.450 578 K N 0.633 120.987 120.400 -0.077 0.000 2.057 578 K HA -0.079 4.242 4.320 0.002 0.000 0.207 578 K C 1.745 178.289 176.600 -0.093 0.000 1.049 578 K CA 1.456 57.704 56.287 -0.066 0.000 0.931 578 K CB -0.524 31.959 32.500 -0.029 0.000 0.714 578 K HN 0.195 nan 8.250 nan 0.000 0.440 579 A N 0.127 122.877 122.820 -0.117 0.000 1.865 579 A HA -0.137 4.184 4.320 0.002 0.000 0.217 579 A C 2.325 179.785 177.584 -0.208 0.000 1.191 579 A CA 2.112 54.119 52.037 -0.050 0.000 0.623 579 A CB -0.973 17.991 19.000 -0.060 0.000 0.826 579 A HN 0.117 nan 8.150 nan 0.000 0.444 580 V N 0.657 120.334 119.914 -0.395 0.000 2.407 580 V HA -0.243 3.878 4.120 0.002 0.000 0.248 580 V C 2.378 178.306 176.094 -0.277 0.000 1.055 580 V CA 2.383 64.443 62.300 -0.401 0.000 1.049 580 V CB -0.892 30.611 31.823 -0.534 0.000 0.662 580 V HN 0.681 nan 8.190 nan 0.000 0.455 581 D N 0.396 120.669 120.400 -0.212 0.000 2.092 581 D HA -0.162 4.479 4.640 0.002 0.000 0.193 581 D C 2.055 178.277 176.300 -0.129 0.000 0.994 581 D CA 1.604 55.526 54.000 -0.131 0.000 0.828 581 D CB -0.228 40.520 40.800 -0.087 0.000 0.963 581 D HN 0.371 nan 8.370 nan 0.000 0.450 582 L N -0.204 120.937 121.223 -0.136 0.000 2.046 582 L HA -0.147 4.194 4.340 0.002 0.000 0.208 582 L C 2.549 179.266 176.870 -0.255 0.000 1.077 582 L CA 0.516 55.283 54.840 -0.122 0.000 0.747 582 L CB -0.507 41.540 42.059 -0.020 0.000 0.896 582 L HN 0.185 nan 8.230 nan 0.000 0.432 583 L N 0.040 120.961 121.223 -0.505 0.000 1.994 583 L HA -0.205 4.136 4.340 0.002 0.000 0.208 583 L C 2.613 179.289 176.870 -0.322 0.000 1.071 583 L CA 1.858 56.299 54.840 -0.665 0.000 0.745 583 L CB -0.635 40.903 42.059 -0.869 0.000 0.892 583 L HN 0.071 nan 8.230 nan 0.000 0.431 584 K N -0.128 120.132 120.400 -0.233 0.000 2.063 584 K HA -0.157 4.164 4.320 0.002 0.000 0.208 584 K C 2.064 178.634 176.600 -0.049 0.000 1.048 584 K CA 1.119 57.323 56.287 -0.140 0.000 0.928 584 K CB -0.396 32.065 32.500 -0.065 0.000 0.713 584 K HN 0.340 nan 8.250 nan 0.000 0.442 585 K N 0.878 121.269 120.400 -0.015 0.000 2.009 585 K HA -0.110 4.211 4.320 0.002 0.000 0.210 585 K C 2.274 178.890 176.600 0.028 0.000 1.049 585 K CA 1.835 58.153 56.287 0.052 0.000 0.929 585 K CB -0.783 31.719 32.500 0.003 0.000 0.714 585 K HN 0.294 nan 8.250 nan 0.000 0.440 586 S N 1.195 116.871 115.700 -0.041 0.000 2.400 586 S HA -0.127 4.344 4.470 0.002 0.000 0.232 586 S C 2.225 176.802 174.600 -0.037 0.000 1.025 586 S CA 1.071 59.247 58.200 -0.041 0.000 0.993 586 S CB -0.661 62.504 63.200 -0.057 0.000 0.808 586 S HN 0.230 nan 8.310 nan 0.000 0.478 587 I N 1.510 122.051 120.570 -0.049 0.000 2.179 587 I HA -0.185 3.986 4.170 0.002 0.000 0.242 587 I C 2.652 178.774 176.117 0.008 0.000 1.088 587 I CA 1.598 62.911 61.300 0.022 0.000 1.357 587 I CB -0.595 37.323 38.000 -0.136 0.000 1.051 587 I HN 0.380 nan 8.210 nan 0.000 0.409 588 H N 0.628 119.728 119.070 0.050 0.000 2.521 588 H HA -0.093 4.464 4.556 0.001 0.000 0.286 588 H C 1.983 177.320 175.328 0.015 0.000 1.034 588 H CA 0.908 56.976 56.048 0.033 0.000 1.278 588 H CB 0.001 29.764 29.762 0.002 0.000 1.386 588 H HN 0.411 nan 8.280 nan 0.000 0.567 589 K N 0.684 121.133 120.400 0.082 0.000 2.035 589 K HA 0.037 4.358 4.320 0.002 0.000 0.213 589 K C 2.366 178.938 176.600 -0.047 0.000 1.027 589 K CA 0.796 57.092 56.287 0.014 0.000 0.950 589 K CB -0.003 32.490 32.500 -0.012 0.000 0.790 589 K HN 0.033 nan 8.250 nan 0.000 0.448 590 A N 0.695 123.430 122.820 -0.142 0.000 1.870 590 A HA -0.189 4.132 4.320 0.002 0.000 0.219 590 A C 1.430 178.832 177.584 -0.304 0.000 1.224 590 A CA 1.689 53.546 52.037 -0.301 0.000 0.650 590 A CB -1.174 17.502 19.000 -0.541 0.000 0.836 590 A HN 0.455 nan 8.150 nan 0.000 0.454 591 Y N -2.236 118.045 120.300 -0.031 0.000 2.904 591 Y HA 0.390 4.941 4.550 0.001 0.000 0.496 591 Y C 2.362 178.256 175.900 -0.010 0.000 1.469 591 Y CA 0.164 58.246 58.100 -0.030 0.000 2.106 591 Y CB -0.960 37.468 38.460 -0.053 0.000 1.782 591 Y HN 0.594 nan 8.280 nan 0.000 0.670 592 G N -0.342 108.582 108.800 0.206 0.000 2.609 592 G HA2 -0.425 3.536 3.960 0.002 0.000 0.235 592 G HA3 -0.425 3.536 3.960 0.002 0.000 0.235 592 G C 1.136 176.085 174.900 0.083 0.000 1.177 592 G CA 0.909 46.088 45.100 0.131 0.000 0.707 592 G HN 0.637 nan 8.290 nan 0.000 0.513 593 K N 0.843 121.284 120.400 0.068 0.000 2.551 593 K HA 0.283 4.604 4.320 0.002 0.000 0.192 593 K C 1.210 177.835 176.600 0.040 0.000 1.027 593 K CA 1.088 57.397 56.287 0.038 0.000 1.059 593 K CB 0.041 32.551 32.500 0.017 0.000 0.831 593 K HN 0.348 nan 8.250 nan 0.000 0.508 594 K N 1.093 121.529 120.400 0.061 0.000 2.564 594 K HA 0.179 4.500 4.320 0.002 0.000 0.205 594 K C -0.274 176.342 176.600 0.027 0.000 1.053 594 K CA 0.009 56.324 56.287 0.046 0.000 1.072 594 K CB 1.367 33.909 32.500 0.071 0.000 0.822 594 K HN 0.390 nan 8.250 nan 0.000 0.497 595 G N 1.639 110.456 108.800 0.028 0.000 2.712 595 G HA2 -0.224 3.737 3.960 0.002 0.000 0.686 595 G HA3 -0.224 3.737 3.960 0.002 0.000 0.686 595 G C 0.009 174.922 174.900 0.021 0.000 1.321 595 G CA -0.746 44.365 45.100 0.018 0.000 0.813 595 G HN 0.206 nan 8.290 nan 0.000 0.599 596 E N 0.138 120.350 120.200 0.020 0.000 2.338 596 E HA -0.020 4.331 4.350 0.002 0.000 0.197 596 E C 2.312 178.911 176.600 -0.001 0.000 1.007 596 E CA 1.349 57.765 56.400 0.026 0.000 0.849 596 E CB 0.024 29.739 29.700 0.026 0.000 0.774 596 E HN 0.623 nan 8.360 nan 0.000 0.506 597 K N 0.619 121.012 120.400 -0.012 0.000 1.985 597 K HA -0.135 4.186 4.320 0.002 0.000 0.210 597 K C 1.781 178.347 176.600 -0.057 0.000 1.047 597 K CA 1.258 57.528 56.287 -0.029 0.000 0.932 597 K CB -0.050 32.435 32.500 -0.025 0.000 0.716 597 K HN 0.031 nan 8.250 nan 0.000 0.439 598 I N 1.384 121.915 120.570 -0.065 0.000 2.264 598 I HA -0.225 3.946 4.170 0.002 0.000 0.248 598 I C 2.408 178.411 176.117 -0.190 0.000 1.111 598 I CA 1.048 62.272 61.300 -0.126 0.000 1.382 598 I CB -0.992 36.945 38.000 -0.105 0.000 1.060 598 I HN 0.064 nan 8.210 nan 0.000 0.418 599 V N 1.094 120.936 119.914 -0.120 0.000 2.343 599 V HA -0.286 3.835 4.120 0.002 0.000 0.247 599 V C 2.651 178.659 176.094 -0.142 0.000 1.051 599 V CA 1.918 64.137 62.300 -0.135 0.000 1.036 599 V CB -0.738 31.072 31.823 -0.022 0.000 0.654 599 V HN 0.422 nan 8.190 nan 0.000 0.451 600 K N -0.325 120.025 120.400 -0.083 0.000 2.026 600 K HA -0.187 4.134 4.320 0.002 0.000 0.208 600 K C 2.235 178.779 176.600 -0.093 0.000 1.048 600 K CA 1.810 58.057 56.287 -0.066 0.000 0.929 600 K CB -0.197 32.281 32.500 -0.037 0.000 0.713 600 K HN 0.364 nan 8.250 nan 0.000 0.439 601 M N 0.843 120.376 119.600 -0.112 0.000 2.149 601 M HA -0.193 4.288 4.480 0.002 0.000 0.261 601 M C 1.784 177.995 176.300 -0.147 0.000 1.064 601 M CA 1.420 56.649 55.300 -0.118 0.000 1.102 601 M CB -0.404 32.121 32.600 -0.125 0.000 1.369 601 M HN 0.227 nan 8.290 nan 0.000 0.408 602 N N -0.113 118.458 118.700 -0.215 0.000 2.216 602 N HA -0.091 4.650 4.740 0.002 0.000 0.183 602 N C 1.799 177.213 175.510 -0.161 0.000 1.017 602 N CA 2.089 54.999 53.050 -0.233 0.000 0.861 602 N CB -0.314 37.936 38.487 -0.394 0.000 0.986 602 N HN 0.487 nan 8.380 nan 0.000 0.428 603 T N -1.123 113.338 114.554 -0.155 0.000 2.904 603 T HA -0.035 4.315 4.350 0.002 0.000 0.267 603 T C 1.328 175.982 174.700 -0.077 0.000 1.059 603 T CA 0.897 62.925 62.100 -0.120 0.000 1.137 603 T CB -0.109 68.694 68.868 -0.108 0.000 0.879 603 T HN -0.075 nan 8.240 nan 0.000 0.467 604 D N 1.989 122.346 120.400 -0.073 0.000 2.117 604 D HA 0.112 4.753 4.640 0.002 0.000 0.198 604 D C 2.470 178.742 176.300 -0.047 0.000 0.982 604 D CA 1.355 55.325 54.000 -0.050 0.000 0.828 604 D CB -0.655 40.116 40.800 -0.049 0.000 0.967 604 D HN 0.532 nan 8.370 nan 0.000 0.464 605 A N 0.498 123.280 122.820 -0.062 0.000 1.877 605 A HA -0.156 4.165 4.320 0.002 0.000 0.216 605 A C 2.511 180.073 177.584 -0.035 0.000 1.186 605 A CA 1.369 53.375 52.037 -0.051 0.000 0.620 605 A CB -0.831 18.130 19.000 -0.066 0.000 0.822 605 A HN 0.142 nan 8.150 nan 0.000 0.443 606 V N 0.718 120.604 119.914 -0.047 0.000 2.287 606 V HA -0.276 3.845 4.120 0.002 0.000 0.248 606 V C 2.243 178.328 176.094 -0.014 0.000 1.053 606 V CA 2.407 64.684 62.300 -0.038 0.000 1.027 606 V CB -0.873 30.905 31.823 -0.075 0.000 0.646 606 V HN 0.513 nan 8.190 nan 0.000 0.447 607 D N -0.597 119.794 120.400 -0.016 0.000 2.123 607 D HA -0.192 4.449 4.640 0.002 0.000 0.196 607 D C 2.297 178.608 176.300 0.018 0.000 0.992 607 D CA 1.297 55.302 54.000 0.008 0.000 0.833 607 D CB -0.244 40.556 40.800 0.001 0.000 0.954 607 D HN 0.484 nan 8.370 nan 0.000 0.455 608 Q N -0.186 119.617 119.800 0.004 0.000 2.119 608 Q HA -0.028 4.313 4.340 0.002 0.000 0.201 608 Q C 2.114 178.125 176.000 0.017 0.000 0.972 608 Q CA 1.076 56.883 55.803 0.007 0.000 0.847 608 Q CB 0.011 28.746 28.738 -0.005 0.000 0.903 608 Q HN 0.212 nan 8.270 nan 0.000 0.433 609 A N 0.046 122.876 122.820 0.018 0.000 1.898 609 A HA -0.127 4.194 4.320 0.002 0.000 0.216 609 A C 2.247 179.863 177.584 0.054 0.000 1.181 609 A CA 1.200 53.255 52.037 0.030 0.000 0.620 609 A CB -0.651 18.365 19.000 0.028 0.000 0.819 609 A HN 0.216 nan 8.150 nan 0.000 0.442 610 V N -0.122 119.833 119.914 0.068 0.000 2.332 610 V HA -0.244 3.877 4.120 0.002 0.000 0.248 610 V C 2.752 178.903 176.094 0.094 0.000 1.055 610 V CA 2.521 64.890 62.300 0.115 0.000 1.038 610 V CB -1.266 30.656 31.823 0.165 0.000 0.651 610 V HN 0.612 nan 8.190 nan 0.000 0.450 611 T N -0.340 114.254 114.554 0.066 0.000 2.746 611 T HA -0.157 4.194 4.350 0.002 0.000 0.267 611 T C 2.009 176.734 174.700 0.042 0.000 1.039 611 T CA 1.917 64.044 62.100 0.045 0.000 1.142 611 T CB -0.215 68.670 68.868 0.029 0.000 0.866 611 T HN 0.506 nan 8.240 nan 0.000 0.444 612 S N 0.756 116.482 115.700 0.043 0.000 2.496 612 S HA 0.228 4.699 4.470 0.002 0.000 0.224 612 S C 0.820 175.465 174.600 0.074 0.000 0.996 612 S CA 0.098 58.324 58.200 0.043 0.000 0.927 612 S CB -0.198 63.019 63.200 0.029 0.000 0.774 612 S HN 0.369 nan 8.310 nan 0.000 0.524 613 L N 3.421 124.702 121.223 0.095 0.000 2.448 613 L HA 0.161 4.502 4.340 0.002 0.000 0.278 613 L C -0.125 176.904 176.870 0.265 0.000 1.201 613 L CA -0.063 54.872 54.840 0.158 0.000 1.036 613 L CB -0.170 41.939 42.059 0.084 0.000 1.325 613 L HN 0.154 nan 8.230 nan 0.000 0.441 614 Q N 1.822 121.778 119.800 0.261 0.000 2.387 614 Q HA 0.392 4.733 4.340 0.002 0.000 0.273 614 Q C -0.439 175.542 176.000 -0.032 0.000 1.089 614 Q CA -0.764 55.142 55.803 0.172 0.000 0.824 614 Q CB 2.071 30.832 28.738 0.038 0.000 1.367 614 Q HN 0.381 nan 8.270 nan 0.000 0.443 615 E N 0.960 120.961 120.200 -0.330 0.000 2.413 615 E HA 0.016 4.367 4.350 0.002 0.000 0.263 615 E C -0.780 175.638 176.600 -0.304 0.000 1.015 615 E CA 0.190 56.195 56.400 -0.658 0.000 0.916 615 E CB 0.487 29.900 29.700 -0.478 0.000 0.947 615 E HN 0.316 nan 8.360 nan 0.000 0.440 616 F N 3.844 123.554 119.950 -0.400 0.000 2.421 616 F HA 0.119 4.647 4.527 0.001 0.000 0.358 616 F C 0.045 175.765 175.800 -0.134 0.000 1.115 616 F CA -0.855 57.002 58.000 -0.238 0.000 1.160 616 F CB 0.471 39.250 39.000 -0.368 0.000 1.123 616 F HN 0.055 nan 8.300 nan 0.000 0.508 617 K N 8.113 128.232 120.400 -0.468 0.000 2.292 617 K HA 0.071 4.392 4.320 0.002 0.000 0.290 617 K C -1.027 175.303 176.600 -0.449 0.000 1.083 617 K CA -0.114 55.905 56.287 -0.447 0.000 0.918 617 K CB -0.099 32.156 32.500 -0.408 0.000 1.089 617 K HN 0.622 nan 8.250 nan 0.000 0.473 618 Y N 1.455 121.614 120.300 -0.235 0.000 2.361 618 Y HA 0.552 5.103 4.550 0.001 0.000 0.332 618 Y C -2.118 173.468 175.900 -0.523 0.000 1.101 618 Y CA -3.358 54.383 58.100 -0.597 0.000 1.137 618 Y CB -0.077 37.806 38.460 -0.961 0.000 1.207 618 Y HN 0.384 nan 8.280 nan 0.000 0.463 619 P HA 0.047 nan 4.420 nan 0.000 0.274 619 P C -0.324 176.969 177.300 -0.012 0.000 1.231 619 P CA -0.068 62.912 63.100 -0.200 0.000 0.790 619 P CB 1.569 33.191 31.700 -0.131 0.000 0.951 620 D N 0.906 121.329 120.400 0.038 0.000 2.218 620 D HA -0.156 4.485 4.640 0.002 0.000 0.204 620 D C 1.754 178.154 176.300 0.167 0.000 0.976 620 D CA 1.530 55.602 54.000 0.120 0.000 0.853 620 D CB -0.135 40.705 40.800 0.067 0.000 0.939 620 D HN 0.351 nan 8.370 nan 0.000 0.481 621 S N -0.997 114.795 115.700 0.153 0.000 2.493 621 S HA -0.173 4.298 4.470 0.002 0.000 0.243 621 S C 1.642 176.431 174.600 0.315 0.000 0.991 621 S CA 0.295 58.610 58.200 0.191 0.000 0.957 621 S CB -0.734 62.567 63.200 0.167 0.000 0.756 621 S HN 0.371 nan 8.310 nan 0.000 0.521 622 W N 2.381 123.734 121.300 0.087 0.000 2.425 622 W HA 0.239 4.899 4.660 0.001 0.000 0.277 622 W C 2.173 178.696 176.519 0.007 0.000 1.231 622 W CA -0.333 57.041 57.345 0.047 0.000 1.248 622 W CB -0.537 28.957 29.460 0.056 0.000 1.117 622 W HN 0.335 nan 8.180 nan 0.000 0.568 623 K N -0.093 120.456 120.400 0.248 0.000 2.173 623 K HA -0.208 4.113 4.320 0.002 0.000 0.207 623 K C 0.111 176.753 176.600 0.070 0.000 1.046 623 K CA 1.849 58.214 56.287 0.130 0.000 0.929 623 K CB -0.402 32.166 32.500 0.113 0.000 0.720 623 K HN 0.267 nan 8.250 nan 0.000 0.453 624 D N -1.522 118.922 120.400 0.073 0.000 2.945 624 D HA 0.224 4.865 4.640 0.002 0.000 0.366 624 D C -0.713 175.595 176.300 0.015 0.000 1.352 624 D CA -0.500 53.518 54.000 0.030 0.000 0.810 624 D CB 0.522 41.340 40.800 0.031 0.000 1.170 624 D HN 0.039 nan 8.370 nan 0.000 0.461 625 A N 2.000 124.814 122.820 -0.010 0.000 2.540 625 A HA 0.415 4.736 4.320 0.002 0.000 0.239 625 A C -1.775 175.770 177.584 -0.065 0.000 1.061 625 A CA -0.823 51.182 52.037 -0.054 0.000 0.758 625 A CB -0.048 18.845 19.000 -0.179 0.000 0.991 625 A HN 0.339 nan 8.150 nan 0.000 0.502 626 P HA 0.316 nan 4.420 nan 0.000 0.271 626 P C -0.207 177.048 177.300 -0.075 0.000 1.216 626 P CA 0.131 63.200 63.100 -0.052 0.000 0.776 626 P CB 0.955 32.633 31.700 -0.038 0.000 0.881 627 A N 2.926 125.706 122.820 -0.067 0.000 2.304 627 A HA 0.417 4.738 4.320 0.002 0.000 0.271 627 A C 0.599 178.142 177.584 -0.069 0.000 1.091 627 A CA -0.479 51.513 52.037 -0.075 0.000 0.812 627 A CB 0.144 19.105 19.000 -0.065 0.000 1.056 627 A HN 0.689 nan 8.150 nan 0.000 0.489 628 E N -0.115 120.041 120.200 -0.074 0.000 2.405 628 E HA 0.599 4.950 4.350 0.002 0.000 0.249 628 E C 0.249 176.815 176.600 -0.057 0.000 1.028 628 E CA -0.223 56.137 56.400 -0.067 0.000 0.897 628 E CB 0.522 30.175 29.700 -0.078 0.000 1.262 628 E HN 0.655 nan 8.360 nan 0.000 0.442 629 T N -1.690 112.833 114.554 -0.051 0.000 3.018 629 T HA 0.224 4.575 4.350 0.002 0.000 0.338 629 T C 0.212 174.886 174.700 -0.043 0.000 1.208 629 T CA -0.546 61.529 62.100 -0.043 0.000 0.963 629 T CB 0.069 68.915 68.868 -0.037 0.000 1.697 629 T HN 0.630 nan 8.240 nan 0.000 0.560 630 K N -0.203 120.175 120.400 -0.036 0.000 2.753 630 K HA 0.646 4.967 4.320 0.002 0.000 0.185 630 K C -0.073 176.511 176.600 -0.027 0.000 1.071 630 K CA -0.858 55.409 56.287 -0.033 0.000 0.999 630 K CB 0.689 33.171 32.500 -0.031 0.000 1.244 630 K HN 0.577 nan 8.250 nan 0.000 0.594 631 A N 2.610 125.413 122.820 -0.028 0.000 2.478 631 A HA 0.021 4.342 4.320 0.002 0.000 0.239 631 A C -0.128 177.448 177.584 -0.014 0.000 1.480 631 A CA -0.185 51.839 52.037 -0.021 0.000 1.308 631 A CB -0.869 18.116 19.000 -0.024 0.000 0.899 631 A HN 0.785 nan 8.150 nan 0.000 0.600 632 E N 1.176 121.369 120.200 -0.012 0.000 2.331 632 E HA 0.511 4.862 4.350 0.002 0.000 0.272 632 E C -1.963 174.637 176.600 -0.001 0.000 1.036 632 E CA -1.836 54.563 56.400 -0.002 0.000 0.864 632 E CB 0.030 29.730 29.700 0.000 0.000 1.035 632 E HN 0.336 nan 8.360 nan 0.000 0.408 633 P HA 0.123 nan 4.420 nan 0.000 0.277 633 P C -0.548 176.744 177.300 -0.014 0.000 1.276 633 P CA -0.447 62.655 63.100 0.003 0.000 0.788 633 P CB 0.559 32.269 31.700 0.015 0.000 1.114 634 M N 0.362 119.952 119.600 -0.017 0.000 2.188 634 M HA 0.333 4.814 4.480 0.002 0.000 0.357 634 M C 0.575 176.792 176.300 -0.138 0.000 1.204 634 M CA -0.004 55.266 55.300 -0.051 0.000 1.095 634 M CB 1.401 33.989 32.600 -0.019 0.000 1.604 634 M HN 0.517 nan 8.290 nan 0.000 0.464 635 T N -0.882 113.494 114.554 -0.297 0.000 2.696 635 T HA 0.608 4.959 4.350 0.002 0.000 0.291 635 T C -0.717 173.634 174.700 -0.581 0.000 1.095 635 T CA -1.182 60.401 62.100 -0.862 0.000 1.026 635 T CB 1.192 69.525 68.868 -0.891 0.000 1.390 635 T HN 0.692 nan 8.240 nan 0.000 0.513 636 N N -0.481 117.790 118.700 -0.714 0.000 2.447 636 N HA 0.272 5.013 4.740 0.002 0.000 0.271 636 N C 0.907 176.392 175.510 -0.041 0.000 1.226 636 N CA -0.759 52.180 53.050 -0.186 0.000 0.980 636 N CB 0.527 39.025 38.487 0.019 0.000 1.206 636 N HN 0.932 nan 8.380 nan 0.000 0.558 637 E N -0.651 119.565 120.200 0.027 0.000 2.070 637 E HA -0.255 4.096 4.350 0.002 0.000 0.197 637 E C 1.180 177.826 176.600 0.076 0.000 1.004 637 E CA 1.153 57.576 56.400 0.038 0.000 0.805 637 E CB -0.206 29.522 29.700 0.046 0.000 0.744 637 E HN 0.583 nan 8.360 nan 0.000 0.451 638 F N 0.007 119.966 119.950 0.014 0.000 2.171 638 F HA -0.148 4.380 4.527 0.001 0.000 0.300 638 F C 1.887 177.718 175.800 0.052 0.000 1.090 638 F CA 1.323 59.334 58.000 0.018 0.000 1.293 638 F CB -0.343 38.689 39.000 0.054 0.000 1.013 638 F HN 0.098 nan 8.300 nan 0.000 0.486 639 F N 1.194 121.165 119.950 0.036 0.000 2.146 639 F HA -0.144 4.384 4.527 0.002 0.000 0.298 639 F C 2.241 177.960 175.800 -0.136 0.000 1.096 639 F CA 1.807 59.787 58.000 -0.034 0.000 1.275 639 F CB -0.465 38.475 39.000 -0.100 0.000 1.008 639 F HN -0.167 nan 8.300 nan 0.000 0.480 640 K N -0.234 120.133 120.400 -0.055 0.000 2.057 640 K HA -0.141 4.180 4.320 0.002 0.000 0.206 640 K C 1.578 178.054 176.600 -0.207 0.000 1.050 640 K CA 1.542 57.758 56.287 -0.119 0.000 0.935 640 K CB -0.268 32.197 32.500 -0.057 0.000 0.715 640 K HN 0.247 nan 8.250 nan 0.000 0.439 641 N N -0.201 118.361 118.700 -0.231 0.000 2.415 641 N HA -0.030 4.711 4.740 0.002 0.000 0.176 641 N C 1.491 176.773 175.510 -0.381 0.000 1.042 641 N CA 0.702 53.596 53.050 -0.261 0.000 0.902 641 N CB 0.583 38.946 38.487 -0.208 0.000 0.986 641 N HN -0.017 nan 8.380 nan 0.000 0.447 642 V N -0.728 118.840 119.914 -0.576 0.000 3.054 642 V HA 0.080 4.201 4.120 0.002 0.000 0.227 642 V C 2.138 177.952 176.094 -0.467 0.000 1.252 642 V CA 0.235 62.149 62.300 -0.643 0.000 1.279 642 V CB -0.125 30.989 31.823 -1.182 0.000 1.118 642 V HN -0.147 nan 8.190 nan 0.000 0.504 643 V N 0.883 120.468 119.914 -0.548 0.000 2.237 643 V HA -0.295 3.826 4.120 0.002 0.000 0.245 643 V C 2.377 178.194 176.094 -0.462 0.000 1.046 643 V CA 2.721 64.810 62.300 -0.351 0.000 1.007 643 V CB -0.729 30.947 31.823 -0.245 0.000 0.638 643 V HN 0.531 nan 8.190 nan 0.000 0.445 644 K N 0.256 120.167 120.400 -0.815 0.000 2.032 644 K HA -0.197 4.124 4.320 0.002 0.000 0.209 644 K C -0.053 176.401 176.600 -0.243 0.000 1.048 644 K CA 1.997 57.942 56.287 -0.569 0.000 0.927 644 K CB -1.121 31.053 32.500 -0.543 0.000 0.712 644 K HN 0.394 nan 8.250 nan 0.000 0.441 645 P HA -0.156 nan 4.420 nan 0.000 0.215 645 P C 1.126 178.402 177.300 -0.041 0.000 1.153 645 P CA 1.342 64.377 63.100 -0.108 0.000 0.853 645 P CB 0.044 31.670 31.700 -0.122 0.000 0.788 646 I N -1.513 119.034 120.570 -0.040 0.000 2.252 646 I HA -0.199 3.972 4.170 0.002 0.000 0.245 646 I C 2.142 178.291 176.117 0.053 0.000 1.102 646 I CA 1.264 62.585 61.300 0.035 0.000 1.385 646 I CB -0.602 37.448 38.000 0.084 0.000 1.064 646 I HN -0.112 nan 8.210 nan 0.000 0.414 647 L N 0.331 121.576 121.223 0.037 0.000 2.362 647 L HA -0.123 4.218 4.340 0.002 0.000 0.219 647 L C 2.000 178.983 176.870 0.188 0.000 1.134 647 L CA 1.342 56.246 54.840 0.107 0.000 0.807 647 L CB -0.735 41.383 42.059 0.098 0.000 0.927 647 L HN 0.418 nan 8.230 nan 0.000 0.447 648 T N -4.229 110.404 114.554 0.131 0.000 3.244 648 T HA 0.101 4.452 4.350 0.002 0.000 0.254 648 T C 0.586 175.418 174.700 0.221 0.000 1.024 648 T CA -0.418 61.804 62.100 0.204 0.000 0.920 648 T CB 0.330 69.236 68.868 0.064 0.000 1.042 648 T HN 0.234 nan 8.240 nan 0.000 0.572 649 Q N 0.192 120.087 119.800 0.159 0.000 2.503 649 Q HA -0.158 4.183 4.340 0.002 0.000 0.267 649 Q C 0.139 176.185 176.000 0.077 0.000 1.030 649 Q CA 0.786 56.650 55.803 0.101 0.000 1.041 649 Q CB -2.165 26.650 28.738 0.129 0.000 1.406 649 Q HN 0.617 nan 8.270 nan 0.000 0.524 650 Q N -1.650 118.186 119.800 0.059 0.000 2.159 650 Q HA 0.261 4.602 4.340 0.002 0.000 0.217 650 Q C 1.676 177.699 176.000 0.038 0.000 0.818 650 Q CA 0.720 56.546 55.803 0.039 0.000 1.008 650 Q CB 0.712 29.461 28.738 0.019 0.000 1.148 650 Q HN 0.442 nan 8.270 nan 0.000 0.491 651 G N 1.516 110.347 108.800 0.052 0.000 2.442 651 G HA2 -0.254 3.707 3.960 0.002 0.000 0.219 651 G HA3 -0.254 3.707 3.960 0.002 0.000 0.219 651 G C 1.087 176.046 174.900 0.098 0.000 1.141 651 G CA 0.672 45.826 45.100 0.089 0.000 0.763 651 G HN 0.294 nan 8.290 nan 0.000 0.554 652 D N 0.465 120.898 120.400 0.055 0.000 2.265 652 D HA -0.065 4.576 4.640 0.002 0.000 0.208 652 D C 2.200 178.534 176.300 0.058 0.000 0.977 652 D CA 0.789 54.817 54.000 0.047 0.000 0.871 652 D CB 0.014 40.827 40.800 0.022 0.000 0.925 652 D HN 0.375 nan 8.370 nan 0.000 0.485 653 K N 0.059 120.490 120.400 0.051 0.000 2.418 653 K HA 0.102 4.423 4.320 0.002 0.000 0.195 653 K C 0.755 177.381 176.600 0.044 0.000 1.035 653 K CA -0.058 56.251 56.287 0.036 0.000 1.003 653 K CB 0.455 32.964 32.500 0.015 0.000 0.793 653 K HN 0.087 nan 8.250 nan 0.000 0.494 654 L N 4.237 125.509 121.223 0.081 0.000 2.418 654 L HA 0.109 4.450 4.340 0.002 0.000 0.274 654 L C -1.829 175.134 176.870 0.155 0.000 1.135 654 L CA -1.714 53.172 54.840 0.075 0.000 0.870 654 L CB 0.091 42.218 42.059 0.113 0.000 1.154 654 L HN -0.023 nan 8.230 nan 0.000 0.462 655 P HA 0.058 nan 4.420 nan 0.000 0.274 655 P C 0.968 178.376 177.300 0.181 0.000 1.256 655 P CA -0.502 62.656 63.100 0.095 0.000 0.795 655 P CB 1.269 32.985 31.700 0.026 0.000 1.038 656 V N 0.743 120.760 119.914 0.170 0.000 2.469 656 V HA -0.240 3.881 4.120 0.002 0.000 0.251 656 V C 2.627 178.829 176.094 0.181 0.000 1.064 656 V CA 2.801 65.233 62.300 0.219 0.000 1.066 656 V CB -1.717 30.172 31.823 0.109 0.000 0.667 656 V HN 0.760 nan 8.190 nan 0.000 0.461 657 S N 0.721 116.457 115.700 0.059 0.000 2.507 657 S HA -0.003 4.468 4.470 0.002 0.000 0.235 657 S C 1.826 176.368 174.600 -0.097 0.000 0.988 657 S CA 0.957 59.155 58.200 -0.003 0.000 0.944 657 S CB -0.314 62.874 63.200 -0.020 0.000 0.762 657 S HN 0.584 nan 8.310 nan 0.000 0.526 658 A N 0.146 122.814 122.820 -0.254 0.000 2.208 658 A HA 0.458 4.779 4.320 0.002 0.000 0.209 658 A C 0.242 177.374 177.584 -0.753 0.000 1.161 658 A CA -0.060 51.638 52.037 -0.564 0.000 0.782 658 A CB -0.370 18.141 19.000 -0.816 0.000 0.816 658 A HN 0.514 nan 8.150 nan 0.000 0.477 659 F N -0.029 119.921 119.950 0.000 0.000 2.522 659 F HA 0.441 4.969 4.527 0.001 0.000 0.324 659 F C 0.288 176.094 175.800 0.010 0.000 1.077 659 F CA -1.172 56.835 58.000 0.011 0.000 0.944 659 F CB 0.998 40.025 39.000 0.045 0.000 1.175 659 F HN -0.080 nan 8.300 nan 0.000 0.468 660 E N 0.856 121.171 120.200 0.192 0.000 2.360 660 E HA 0.171 4.522 4.350 0.002 0.000 0.269 660 E C 0.752 177.435 176.600 0.139 0.000 1.022 660 E CA 0.093 56.567 56.400 0.123 0.000 0.887 660 E CB 1.397 31.156 29.700 0.097 0.000 0.990 660 E HN 0.787 nan 8.360 nan 0.000 0.426 661 A N 3.640 126.515 122.820 0.092 0.000 1.940 661 A HA -0.222 4.099 4.320 0.002 0.000 0.219 661 A C 1.277 178.914 177.584 0.089 0.000 1.176 661 A CA 1.991 54.069 52.037 0.069 0.000 0.631 661 A CB -0.292 18.737 19.000 0.048 0.000 0.814 661 A HN 0.593 nan 8.150 nan 0.000 0.446 662 D N -2.439 118.030 120.400 0.115 0.000 2.328 662 D HA 0.308 4.949 4.640 0.002 0.000 0.226 662 D C 1.137 177.564 176.300 0.212 0.000 1.066 662 D CA 0.801 54.886 54.000 0.142 0.000 0.861 662 D CB -0.605 40.264 40.800 0.114 0.000 0.912 662 D HN 0.740 nan 8.370 nan 0.000 0.521 663 G N 0.395 109.354 108.800 0.265 0.000 2.184 663 G HA2 -0.369 3.592 3.960 0.002 0.000 0.264 663 G HA3 -0.369 3.592 3.960 0.002 0.000 0.264 663 G C 0.419 175.558 174.900 0.399 0.000 0.975 663 G CA 0.047 45.382 45.100 0.391 0.000 0.642 663 G HN 0.470 nan 8.290 nan 0.000 0.536 664 R N -0.856 119.816 120.500 0.287 0.000 2.734 664 R HA 0.518 4.858 4.340 0.002 0.000 0.266 664 R C -0.428 176.066 176.300 0.323 0.000 1.044 664 R CA 0.306 56.573 56.100 0.278 0.000 1.128 664 R CB 0.237 30.633 30.300 0.159 0.000 1.010 664 R HN 0.126 nan 8.270 nan 0.000 0.461 665 F N 1.688 121.686 119.950 0.080 0.000 2.577 665 F HA 0.423 4.951 4.527 0.002 0.000 0.318 665 F C -1.609 174.138 175.800 -0.087 0.000 1.065 665 F CA -2.194 55.818 58.000 0.019 0.000 0.929 665 F CB 1.586 40.653 39.000 0.111 0.000 1.237 665 F HN 0.418 nan 8.300 nan 0.000 0.468 666 P HA 0.378 nan 4.420 nan 0.000 0.279 666 P C -1.082 176.233 177.300 0.024 0.000 1.252 666 P CA -0.407 62.606 63.100 -0.145 0.000 0.811 666 P CB 1.262 32.723 31.700 -0.398 0.000 1.035 667 L N 0.309 121.553 121.223 0.035 0.000 2.466 667 L HA 0.403 4.744 4.340 0.002 0.000 0.257 667 L C 1.778 178.699 176.870 0.085 0.000 1.189 667 L CA 1.338 56.222 54.840 0.073 0.000 0.813 667 L CB -0.590 41.505 42.059 0.060 0.000 1.118 667 L HN 0.858 nan 8.230 nan 0.000 0.471 668 G N -0.528 108.317 108.800 0.076 0.000 2.153 668 G HA2 -0.345 3.616 3.960 0.002 0.000 0.252 668 G HA3 -0.345 3.616 3.960 0.002 0.000 0.252 668 G C 0.908 175.860 174.900 0.086 0.000 0.994 668 G CA 0.883 46.006 45.100 0.038 0.000 0.698 668 G HN 0.860 nan 8.290 nan 0.000 0.521 669 T N -1.755 112.944 114.554 0.242 0.000 2.962 669 T HA 0.026 4.377 4.350 0.002 0.000 0.270 669 T C 2.579 177.481 174.700 0.336 0.000 1.088 669 T CA 1.902 64.271 62.100 0.448 0.000 1.127 669 T CB -0.302 68.930 68.868 0.608 0.000 0.883 669 T HN 1.357 nan 8.240 nan 0.000 0.493 670 S N 1.040 116.855 115.700 0.191 0.000 2.481 670 S HA -0.092 4.379 4.470 0.002 0.000 0.231 670 S C 2.035 176.708 174.600 0.122 0.000 0.996 670 S CA 0.155 58.471 58.200 0.194 0.000 0.942 670 S CB -0.528 62.782 63.200 0.184 0.000 0.768 670 S HN 0.404 nan 8.310 nan 0.000 0.520 671 Q N 0.378 120.095 119.800 -0.139 0.000 2.297 671 Q HA 0.002 4.343 4.340 0.002 0.000 0.208 671 Q C 0.932 176.568 176.000 -0.606 0.000 0.981 671 Q CA 1.193 56.782 55.803 -0.357 0.000 0.876 671 Q CB -0.448 27.820 28.738 -0.783 0.000 0.921 671 Q HN 0.858 nan 8.270 nan 0.000 0.446 672 F N -0.443 119.367 119.950 -0.233 0.000 2.678 672 F HA 0.174 4.702 4.527 0.002 0.000 0.305 672 F C 1.851 177.426 175.800 -0.375 0.000 1.090 672 F CA -0.269 57.393 58.000 -0.563 0.000 1.272 672 F CB 0.316 38.443 39.000 -1.455 0.000 1.060 672 F HN 0.010 nan 8.300 nan 0.000 0.576 673 E N 0.771 121.001 120.200 0.051 0.000 2.047 673 E HA -0.128 4.222 4.350 0.002 0.000 0.191 673 E C 0.444 177.099 176.600 0.092 0.000 0.987 673 E CA 0.542 57.064 56.400 0.203 0.000 0.799 673 E CB -0.041 29.801 29.700 0.237 0.000 0.752 673 E HN -0.017 nan 8.360 nan 0.000 0.449 674 K N 0.841 121.221 120.400 -0.034 0.000 3.602 674 K HA -0.268 4.053 4.320 0.002 0.000 0.274 674 K C 0.519 177.116 176.600 -0.005 0.000 0.864 674 K CA 0.589 56.827 56.287 -0.081 0.000 0.682 674 K CB -1.165 31.291 32.500 -0.074 0.000 1.576 674 K HN 0.326 nan 8.250 nan 0.000 0.447 675 R N 0.120 120.632 120.500 0.021 0.000 2.096 675 R HA -0.110 4.231 4.340 0.002 0.000 0.235 675 R C 1.398 177.729 176.300 0.051 0.000 1.127 675 R CA 1.009 57.149 56.100 0.067 0.000 0.968 675 R CB -0.099 30.255 30.300 0.090 0.000 0.861 675 R HN 0.621 nan 8.270 nan 0.000 0.440 676 G N 0.970 109.774 108.800 0.007 0.000 2.350 676 G HA2 -0.218 3.742 3.960 0.002 0.000 0.298 676 G HA3 -0.218 3.742 3.960 0.002 0.000 0.298 676 G C 0.499 175.419 174.900 0.032 0.000 1.037 676 G CA 0.399 45.504 45.100 0.008 0.000 1.074 676 G HN 0.362 nan 8.290 nan 0.000 0.511 677 V N -3.165 116.765 119.914 0.027 0.000 3.621 677 V HA 0.734 4.855 4.120 0.002 0.000 0.285 677 V C 1.470 177.574 176.094 0.018 0.000 1.346 677 V CA 0.640 62.966 62.300 0.044 0.000 1.104 677 V CB -0.122 31.741 31.823 0.068 0.000 0.913 677 V HN 1.617 nan 8.190 nan 0.000 0.432 678 A N 0.313 123.130 122.820 -0.005 0.000 2.407 678 A HA 0.628 4.949 4.320 0.002 0.000 0.248 678 A C 1.045 178.632 177.584 0.005 0.000 1.082 678 A CA -0.043 51.987 52.037 -0.011 0.000 0.785 678 A CB 0.354 19.340 19.000 -0.024 0.000 1.020 678 A HN 0.363 nan 8.150 nan 0.000 0.489 679 I N 0.451 121.024 120.570 0.006 0.000 2.429 679 I HA 0.007 4.178 4.170 0.002 0.000 0.247 679 I C 0.297 176.421 176.117 0.011 0.000 1.099 679 I CA 0.539 61.846 61.300 0.011 0.000 1.422 679 I CB -0.044 37.962 38.000 0.010 0.000 1.112 679 I HN 0.567 nan 8.210 nan 0.000 0.430 680 N N 0.581 119.286 118.700 0.009 0.000 2.272 680 N HA 0.516 5.257 4.740 0.002 0.000 0.305 680 N C -0.979 174.538 175.510 0.011 0.000 1.103 680 N CA -0.231 52.826 53.050 0.013 0.000 0.791 680 N CB 3.109 41.604 38.487 0.014 0.000 1.356 680 N HN -0.104 nan 8.380 nan 0.000 0.486 681 V N -1.529 118.394 119.914 0.016 0.000 3.130 681 V HA 0.754 4.875 4.120 0.002 0.000 0.310 681 V C -2.715 173.397 176.094 0.030 0.000 1.158 681 V CA -2.231 60.080 62.300 0.017 0.000 1.029 681 V CB 2.573 34.403 31.823 0.012 0.000 1.057 681 V HN 0.462 nan 8.190 nan 0.000 0.436 682 P HA 0.255 nan 4.420 nan 0.000 0.274 682 P C -1.363 175.981 177.300 0.073 0.000 1.231 682 P CA -0.040 63.093 63.100 0.057 0.000 0.790 682 P CB 1.078 32.815 31.700 0.062 0.000 0.951 683 Q N 2.124 121.979 119.800 0.093 0.000 2.325 683 Q HA 0.282 4.623 4.340 0.002 0.000 0.270 683 Q C -1.513 174.595 176.000 0.179 0.000 1.020 683 Q CA -0.808 55.063 55.803 0.113 0.000 0.785 683 Q CB 1.086 29.867 28.738 0.071 0.000 1.259 683 Q HN 0.393 nan 8.270 nan 0.000 0.452 684 W N 4.787 126.082 121.300 -0.008 0.000 2.238 684 W HA 0.369 5.030 4.660 0.002 0.000 0.321 684 W C -1.102 175.414 176.519 -0.005 0.000 1.293 684 W CA -0.329 57.011 57.345 -0.008 0.000 1.204 684 W CB 0.914 30.357 29.460 -0.028 0.000 1.167 684 W HN 0.397 nan 8.180 nan 0.000 0.553 685 V N 10.272 129.959 119.914 -0.380 0.000 2.266 685 V HA 0.126 4.247 4.120 0.002 0.000 0.266 685 V C -1.076 174.541 176.094 -0.795 0.000 1.036 685 V CA -1.296 60.743 62.300 -0.435 0.000 0.828 685 V CB 0.866 32.569 31.823 -0.200 0.000 1.081 685 V HN 0.537 nan 8.190 nan 0.000 0.449 686 P HA -0.228 nan 4.420 nan 0.000 0.218 686 P C 1.077 178.069 177.300 -0.512 0.000 1.152 686 P CA 1.542 63.867 63.100 -1.291 0.000 0.857 686 P CB 0.557 31.558 31.700 -1.164 0.000 0.787 687 E N -0.019 119.976 120.200 -0.343 0.000 2.204 687 E HA -0.148 4.203 4.350 0.002 0.000 0.195 687 E C 1.583 178.106 176.600 -0.129 0.000 0.990 687 E CA 1.275 57.568 56.400 -0.179 0.000 0.821 687 E CB -0.934 28.686 29.700 -0.134 0.000 0.750 687 E HN 0.550 nan 8.360 nan 0.000 0.477 688 N N -0.800 117.809 118.700 -0.150 0.000 2.325 688 N HA 0.068 4.809 4.740 0.002 0.000 0.182 688 N C -0.218 175.275 175.510 -0.028 0.000 1.088 688 N CA -0.348 52.657 53.050 -0.076 0.000 0.879 688 N CB 0.411 38.859 38.487 -0.065 0.000 0.983 688 N HN 0.054 nan 8.380 nan 0.000 0.471 689 C N 2.098 121.380 119.300 -0.029 0.000 2.648 689 C HA 0.180 4.641 4.460 0.002 0.000 0.419 689 C C 1.721 176.781 174.990 0.118 0.000 1.352 689 C CA -0.580 58.524 59.018 0.143 0.000 1.816 689 C CB -0.985 26.996 27.740 0.402 0.000 2.598 689 C HN 0.469 nan 8.230 nan 0.000 0.598 690 I N 1.996 122.621 120.570 0.093 0.000 3.904 690 I HA 0.249 4.420 4.170 0.002 0.000 0.333 690 I C 0.699 176.785 176.117 -0.052 0.000 1.361 690 I CA -0.029 61.281 61.300 0.017 0.000 1.116 690 I CB -0.693 37.306 38.000 -0.001 0.000 1.028 690 I HN 0.847 nan 8.210 nan 0.000 0.398 691 Q N 1.041 120.816 119.800 -0.042 0.000 2.452 691 Q HA -0.222 4.119 4.340 0.002 0.000 0.318 691 Q C 1.169 176.991 176.000 -0.298 0.000 1.386 691 Q CA 0.616 56.173 55.803 -0.410 0.000 0.872 691 Q CB -1.981 26.241 28.738 -0.861 0.000 1.151 691 Q HN 0.947 nan 8.270 nan 0.000 0.417 692 C N -2.829 116.413 119.300 -0.097 0.000 2.735 692 C HA 0.233 4.693 4.460 0.002 0.000 0.271 692 C C 1.101 176.036 174.990 -0.092 0.000 1.281 692 C CA 0.250 59.208 59.018 -0.100 0.000 1.719 692 C CB 0.135 27.837 27.740 -0.062 0.000 2.024 692 C HN 0.755 nan 8.230 nan 0.000 0.566 693 N N 0.694 119.389 118.700 -0.007 0.000 2.828 693 N HA -0.218 4.523 4.740 0.002 0.000 0.248 693 N C 0.764 176.283 175.510 0.015 0.000 1.044 693 N CA 1.492 54.544 53.050 0.003 0.000 0.851 693 N CB -1.632 36.777 38.487 -0.130 0.000 1.136 693 N HN 0.787 nan 8.380 nan 0.000 0.572 694 Q N -0.599 119.199 119.800 -0.003 0.000 2.170 694 Q HA -0.116 4.225 4.340 0.002 0.000 0.203 694 Q C 2.283 178.326 176.000 0.073 0.000 0.976 694 Q CA 1.853 57.656 55.803 -0.001 0.000 0.858 694 Q CB -0.107 28.605 28.738 -0.044 0.000 0.907 694 Q HN 0.851 nan 8.270 nan 0.000 0.433 695 C N -0.622 118.716 119.300 0.063 0.000 2.432 695 C HA 0.027 4.488 4.460 0.002 0.000 0.277 695 C C 2.734 177.758 174.990 0.057 0.000 1.249 695 C CA 0.446 59.500 59.018 0.060 0.000 1.725 695 C CB -1.347 26.426 27.740 0.054 0.000 2.028 695 C HN 0.463 nan 8.230 nan 0.000 0.477 696 A N 0.054 122.904 122.820 0.049 0.000 1.933 696 A HA -0.048 4.273 4.320 0.002 0.000 0.218 696 A C 2.007 179.617 177.584 0.044 0.000 1.175 696 A CA 1.549 53.601 52.037 0.024 0.000 0.628 696 A CB -1.061 17.939 19.000 -0.000 0.000 0.814 696 A HN 0.626 nan 8.150 nan 0.000 0.444 697 F N 0.685 120.598 119.950 -0.060 0.000 2.216 697 F HA -0.166 4.362 4.527 0.002 0.000 0.300 697 F C 2.122 177.879 175.800 -0.071 0.000 1.085 697 F CA 1.957 59.922 58.000 -0.057 0.000 1.326 697 F CB 0.221 39.195 39.000 -0.044 0.000 1.027 697 F HN 0.142 nan 8.300 nan 0.000 0.497 698 V N -2.549 117.457 119.914 0.153 0.000 3.608 698 V HA 0.127 4.248 4.120 0.002 0.000 0.269 698 V C 0.966 177.036 176.094 -0.041 0.000 1.245 698 V CA -0.353 61.971 62.300 0.041 0.000 1.138 698 V CB -1.366 30.492 31.823 0.059 0.000 0.841 698 V HN 0.286 nan 8.190 nan 0.000 0.451 699 C N 3.280 122.559 119.300 -0.036 0.000 2.638 699 C HA 0.345 4.806 4.460 0.002 0.000 0.410 699 C C -0.495 174.439 174.990 -0.092 0.000 1.404 699 C CA -0.445 58.554 59.018 -0.031 0.000 1.651 699 C CB 0.452 28.191 27.740 -0.002 0.000 2.495 699 C HN 0.484 nan 8.230 nan 0.000 0.606 700 P HA 0.046 nan 4.420 nan 0.000 0.242 700 P C -0.029 176.981 177.300 -0.484 0.000 1.197 700 P CA 1.277 64.236 63.100 -0.236 0.000 0.765 700 P CB 0.043 31.666 31.700 -0.128 0.000 0.936 701 H N -3.476 115.527 119.070 -0.111 0.000 3.230 701 H HA 0.286 4.843 4.556 0.001 0.000 0.259 701 H C 0.534 175.866 175.328 0.005 0.000 1.195 701 H CA -0.046 55.970 56.048 -0.054 0.000 1.112 701 H CB 0.131 29.914 29.762 0.034 0.000 1.638 701 H HN -0.216 nan 8.280 nan 0.000 0.624 702 S N 0.166 115.867 115.700 0.000 0.000 3.635 702 S HA -0.254 4.217 4.470 0.002 0.000 0.328 702 S C 1.286 175.998 174.600 0.187 0.000 1.135 702 S CA 0.494 58.682 58.200 -0.021 0.000 0.942 702 S CB -1.443 61.610 63.200 -0.246 0.000 0.930 702 S HN 0.675 nan 8.310 nan 0.000 0.512 703 A N 0.035 122.972 122.820 0.194 0.000 2.276 703 A HA 0.500 4.821 4.320 0.002 0.000 0.212 703 A C 0.564 178.190 177.584 0.070 0.000 1.230 703 A CA 0.275 52.412 52.037 0.167 0.000 0.844 703 A CB -0.050 19.011 19.000 0.101 0.000 0.860 703 A HN 0.659 nan 8.150 nan 0.000 0.486 704 I N 0.409 121.004 120.570 0.042 0.000 2.418 704 I HA 0.327 4.498 4.170 0.002 0.000 0.287 704 I C -1.172 174.928 176.117 -0.028 0.000 1.008 704 I CA -0.837 60.454 61.300 -0.015 0.000 1.104 704 I CB 2.084 40.067 38.000 -0.028 0.000 1.264 704 I HN 0.077 nan 8.210 nan 0.000 0.438 705 L N 9.845 131.033 121.223 -0.059 0.000 2.318 705 L HA 0.634 4.975 4.340 0.002 0.000 0.277 705 L C -2.651 174.145 176.870 -0.123 0.000 1.008 705 L CA -1.880 52.929 54.840 -0.053 0.000 0.846 705 L CB 1.065 43.116 42.059 -0.014 0.000 1.220 705 L HN 0.212 nan 8.230 nan 0.000 0.423 706 P HA 0.210 nan 4.420 nan 0.000 0.271 706 P C -1.160 176.090 177.300 -0.084 0.000 1.216 706 P CA -0.079 62.940 63.100 -0.136 0.000 0.771 706 P CB 1.146 32.890 31.700 0.074 0.000 0.864 707 V N 5.156 124.899 119.914 -0.285 0.000 2.448 707 V HA 0.377 4.498 4.120 0.002 0.000 0.295 707 V C -0.259 175.753 176.094 -0.137 0.000 1.025 707 V CA -0.477 61.733 62.300 -0.150 0.000 0.859 707 V CB 1.568 33.331 31.823 -0.100 0.000 0.988 707 V HN 0.338 nan 8.190 nan 0.000 0.431 708 L N 5.402 126.570 121.223 -0.093 0.000 2.388 708 L HA 0.899 5.240 4.340 0.002 0.000 0.267 708 L C -0.075 176.791 176.870 -0.007 0.000 0.995 708 L CA 0.087 54.853 54.840 -0.122 0.000 0.864 708 L CB 1.012 42.699 42.059 -0.620 0.000 1.216 708 L HN 0.766 nan 8.230 nan 0.000 0.430 709 A N 4.299 127.222 122.820 0.171 0.000 2.423 709 A HA 0.788 5.109 4.320 0.002 0.000 0.304 709 A C -0.934 176.809 177.584 0.266 0.000 1.104 709 A CA -0.839 51.329 52.037 0.218 0.000 0.757 709 A CB 1.306 20.402 19.000 0.160 0.000 1.313 709 A HN 0.568 nan 8.150 nan 0.000 0.423 710 K N 0.908 121.397 120.400 0.149 0.000 2.144 710 K HA 0.194 4.515 4.320 0.002 0.000 0.270 710 K C 0.900 177.523 176.600 0.038 0.000 1.005 710 K CA 0.082 56.366 56.287 -0.006 0.000 0.932 710 K CB 1.223 33.676 32.500 -0.078 0.000 1.021 710 K HN 0.858 nan 8.250 nan 0.000 0.462 711 E N 2.333 122.544 120.200 0.017 0.000 2.187 711 E HA -0.330 4.021 4.350 0.002 0.000 0.199 711 E C 1.057 177.683 176.600 0.044 0.000 1.004 711 E CA 1.933 58.360 56.400 0.045 0.000 0.813 711 E CB -0.202 29.513 29.700 0.025 0.000 0.736 711 E HN 0.749 nan 8.360 nan 0.000 0.468 712 E N 1.294 121.506 120.200 0.019 0.000 2.338 712 E HA -0.181 4.170 4.350 0.002 0.000 0.197 712 E C 1.518 178.141 176.600 0.037 0.000 1.007 712 E CA 1.127 57.539 56.400 0.020 0.000 0.849 712 E CB -0.107 29.593 29.700 -0.000 0.000 0.774 712 E HN 0.505 nan 8.360 nan 0.000 0.506 713 E N 0.390 120.622 120.200 0.053 0.000 2.340 713 E HA 0.024 4.375 4.350 0.002 0.000 0.194 713 E C 1.267 177.945 176.600 0.129 0.000 0.996 713 E CA 0.014 56.451 56.400 0.062 0.000 0.869 713 E CB 0.295 30.023 29.700 0.045 0.000 0.835 713 E HN 0.215 nan 8.360 nan 0.000 0.493 714 L N 1.204 122.517 121.223 0.150 0.000 2.627 714 L HA 0.050 4.391 4.340 0.002 0.000 0.232 714 L C 1.857 178.789 176.870 0.103 0.000 1.150 714 L CA 0.445 55.399 54.840 0.189 0.000 0.917 714 L CB -0.725 41.465 42.059 0.218 0.000 1.104 714 L HN 0.022 nan 8.230 nan 0.000 0.445 715 V N 1.100 121.066 119.914 0.086 0.000 2.214 715 V HA -0.225 3.896 4.120 0.002 0.000 0.247 715 V C 2.255 178.350 176.094 0.001 0.000 1.051 715 V CA 2.234 64.560 62.300 0.042 0.000 1.003 715 V CB -0.995 30.851 31.823 0.039 0.000 0.635 715 V HN 0.567 nan 8.190 nan 0.000 0.447 716 G N -0.497 108.314 108.800 0.019 0.000 3.210 716 G HA2 0.358 4.319 3.960 0.002 0.000 0.220 716 G HA3 0.358 4.319 3.960 0.002 0.000 0.220 716 G C 0.476 175.174 174.900 -0.336 0.000 1.200 716 G CA 0.461 45.525 45.100 -0.059 0.000 0.834 716 G HN 0.658 nan 8.290 nan 0.000 0.524 717 A N 0.835 123.367 122.820 -0.481 0.000 2.445 717 A HA 0.546 4.867 4.320 0.002 0.000 0.242 717 A C -1.792 175.432 177.584 -0.601 0.000 1.075 717 A CA -0.851 50.529 52.037 -1.096 0.000 0.777 717 A CB 0.238 18.890 19.000 -0.581 0.000 1.013 717 A HN 0.216 nan 8.150 nan 0.000 0.493 718 P HA 0.128 nan 4.420 nan 0.000 0.267 718 P C 0.943 178.207 177.300 -0.059 0.000 1.201 718 P CA 0.704 63.668 63.100 -0.227 0.000 0.775 718 P CB 0.564 32.185 31.700 -0.131 0.000 0.854 719 A N 3.058 125.861 122.820 -0.028 0.000 1.948 719 A HA -0.221 4.099 4.320 0.002 0.000 0.220 719 A C 1.401 179.016 177.584 0.051 0.000 1.177 719 A CA 2.055 54.098 52.037 0.010 0.000 0.636 719 A CB -1.305 17.696 19.000 0.003 0.000 0.815 719 A HN 0.825 nan 8.150 nan 0.000 0.449 720 N N -2.386 116.357 118.700 0.073 0.000 2.276 720 N HA 0.136 4.877 4.740 0.002 0.000 0.212 720 N C -0.011 175.585 175.510 0.143 0.000 1.127 720 N CA -0.393 52.710 53.050 0.089 0.000 0.834 720 N CB -0.010 38.518 38.487 0.068 0.000 1.014 720 N HN 0.257 nan 8.380 nan 0.000 0.491 721 F N 3.108 123.062 119.950 0.006 0.000 2.666 721 F HA 0.157 4.685 4.527 0.002 0.000 0.362 721 F C 0.103 175.954 175.800 0.085 0.000 1.190 721 F CA -0.308 57.714 58.000 0.035 0.000 1.328 721 F CB -0.786 38.200 39.000 -0.023 0.000 1.682 721 F HN -0.094 nan 8.300 nan 0.000 0.623 722 T N 2.935 117.498 114.554 0.015 0.000 2.871 722 T HA 0.411 4.762 4.350 0.002 0.000 0.296 722 T C 0.236 174.984 174.700 0.080 0.000 0.998 722 T CA 0.274 62.407 62.100 0.055 0.000 1.162 722 T CB 0.397 69.298 68.868 0.056 0.000 0.947 722 T HN 0.542 nan 8.240 nan 0.000 0.536 723 A N 3.736 126.629 122.820 0.122 0.000 2.435 723 A HA 0.799 5.120 4.320 0.002 0.000 0.304 723 A C -0.640 177.071 177.584 0.211 0.000 1.064 723 A CA -0.884 51.259 52.037 0.176 0.000 0.727 723 A CB 1.174 20.260 19.000 0.144 0.000 1.284 723 A HN 0.766 nan 8.150 nan 0.000 0.415 724 L N 0.477 121.883 121.223 0.306 0.000 2.365 724 L HA 0.456 4.797 4.340 0.002 0.000 0.267 724 L C 0.254 177.273 176.870 0.249 0.000 1.033 724 L CA -0.709 54.289 54.840 0.264 0.000 0.802 724 L CB 1.242 43.502 42.059 0.336 0.000 1.267 724 L HN 0.730 nan 8.230 nan 0.000 0.457 725 E N 1.190 121.498 120.200 0.179 0.000 2.180 725 E HA 0.299 4.650 4.350 0.002 0.000 0.283 725 E C -0.340 176.363 176.600 0.171 0.000 1.061 725 E CA -0.544 55.950 56.400 0.157 0.000 0.861 725 E CB 1.273 31.035 29.700 0.103 0.000 1.056 725 E HN 0.592 nan 8.360 nan 0.000 0.407 726 A N 4.977 127.923 122.820 0.210 0.000 2.567 726 A HA -0.020 4.301 4.320 0.002 0.000 0.240 726 A C 0.306 177.943 177.584 0.089 0.000 1.053 726 A CA 0.094 52.238 52.037 0.178 0.000 0.755 726 A CB 0.217 19.364 19.000 0.245 0.000 0.978 726 A HN 0.388 nan 8.150 nan 0.000 0.507 727 K N 1.152 121.557 120.400 0.008 0.000 2.102 727 K HA 0.632 4.953 4.320 0.002 0.000 0.244 727 K C 0.570 177.175 176.600 0.008 0.000 1.021 727 K CA 0.669 56.953 56.287 -0.004 0.000 0.913 727 K CB 0.666 33.136 32.500 -0.050 0.000 1.062 727 K HN 1.898 nan 8.250 nan 0.000 0.485 728 G N 0.683 109.490 108.800 0.012 0.000 2.712 728 G HA2 -0.201 3.760 3.960 0.002 0.000 0.686 728 G HA3 -0.201 3.760 3.960 0.002 0.000 0.686 728 G C 0.382 175.308 174.900 0.043 0.000 1.181 728 G CA 0.035 45.148 45.100 0.023 0.000 0.762 728 G HN 0.590 nan 8.290 nan 0.000 0.641 729 K N 0.126 120.550 120.400 0.039 0.000 2.103 729 K HA -0.022 4.299 4.320 0.002 0.000 0.204 729 K C 1.996 178.634 176.600 0.063 0.000 1.052 729 K CA 1.983 58.297 56.287 0.044 0.000 0.945 729 K CB -0.038 32.482 32.500 0.033 0.000 0.722 729 K HN 0.513 nan 8.250 nan 0.000 0.443 730 E N 0.298 120.538 120.200 0.067 0.000 2.435 730 E HA -0.009 4.342 4.350 0.002 0.000 0.195 730 E C 1.054 177.736 176.600 0.136 0.000 1.029 730 E CA 0.476 56.927 56.400 0.085 0.000 0.865 730 E CB 0.268 30.006 29.700 0.064 0.000 0.833 730 E HN 0.294 nan 8.360 nan 0.000 0.510 731 L N -0.057 121.249 121.223 0.138 0.000 2.693 731 L HA 0.205 4.546 4.340 0.002 0.000 0.235 731 L C 1.430 178.466 176.870 0.277 0.000 1.127 731 L CA -0.166 54.809 54.840 0.225 0.000 0.914 731 L CB 0.094 42.221 42.059 0.112 0.000 1.193 731 L HN -0.021 nan 8.230 nan 0.000 0.502 732 K N 1.239 121.739 120.400 0.166 0.000 2.007 732 K HA -0.273 4.048 4.320 0.002 0.000 0.231 732 K C 1.887 178.545 176.600 0.097 0.000 1.044 732 K CA 2.126 58.478 56.287 0.108 0.000 0.996 732 K CB -0.762 31.778 32.500 0.067 0.000 0.738 732 K HN 0.446 nan 8.250 nan 0.000 0.447 733 G N -0.232 108.589 108.800 0.036 0.000 2.625 733 G HA2 -0.110 3.851 3.960 0.002 0.000 0.214 733 G HA3 -0.110 3.851 3.960 0.002 0.000 0.214 733 G C 0.192 175.029 174.900 -0.105 0.000 1.132 733 G CA 0.254 45.313 45.100 -0.067 0.000 0.782 733 G HN 0.149 nan 8.290 nan 0.000 0.538 734 Y N -0.449 119.876 120.300 0.042 0.000 2.295 734 Y HA 0.451 5.002 4.550 0.001 0.000 0.331 734 Y C 0.783 176.741 175.900 0.098 0.000 1.311 734 Y CA -0.297 57.835 58.100 0.054 0.000 1.430 734 Y CB 0.916 39.396 38.460 0.034 0.000 1.339 734 Y HN -0.211 nan 8.280 nan 0.000 0.552 735 K N 1.501 122.089 120.400 0.314 0.000 2.292 735 K HA 0.377 4.698 4.320 0.002 0.000 0.257 735 K C -1.886 174.899 176.600 0.308 0.000 0.940 735 K CA -0.577 55.868 56.287 0.264 0.000 0.811 735 K CB 0.860 33.485 32.500 0.208 0.000 1.120 735 K HN 0.524 nan 8.250 nan 0.000 0.428 736 F N 3.719 123.765 119.950 0.160 0.000 2.480 736 F HA 0.544 5.072 4.527 0.001 0.000 0.329 736 F C -0.656 175.215 175.800 0.118 0.000 1.091 736 F CA -0.541 57.543 58.000 0.140 0.000 0.972 736 F CB 1.294 40.398 39.000 0.172 0.000 1.150 736 F HN 0.501 nan 8.300 nan 0.000 0.467 737 R N 6.463 126.400 120.500 -0.938 0.000 2.604 737 R HA 0.451 4.792 4.340 0.002 0.000 0.270 737 R C -2.284 173.162 176.300 -1.423 0.000 1.052 737 R CA -0.708 54.799 56.100 -0.988 0.000 0.902 737 R CB 1.389 31.314 30.300 -0.624 0.000 1.233 737 R HN 0.625 nan 8.270 nan 0.000 0.455 738 I N 4.141 123.550 120.570 -1.936 0.000 2.306 738 I HA 0.186 4.357 4.170 0.002 0.000 0.288 738 I C -0.262 175.274 176.117 -0.969 0.000 1.036 738 I CA -0.387 60.086 61.300 -1.379 0.000 1.221 738 I CB 1.128 38.193 38.000 -1.558 0.000 1.385 738 I HN 0.602 nan 8.210 nan 0.000 0.472 739 Q N 6.631 126.108 119.800 -0.538 0.000 2.296 739 Q HA 0.388 4.729 4.340 0.002 0.000 0.257 739 Q C -0.806 175.098 176.000 -0.161 0.000 0.942 739 Q CA -0.285 55.347 55.803 -0.284 0.000 0.939 739 Q CB 0.969 29.628 28.738 -0.133 0.000 1.198 739 Q HN 0.366 nan 8.270 nan 0.000 0.429 740 I N 3.943 124.456 120.570 -0.095 0.000 2.395 740 I HA 0.179 4.350 4.170 0.002 0.000 0.289 740 I C 0.175 176.282 176.117 -0.016 0.000 1.023 740 I CA -0.347 60.929 61.300 -0.040 0.000 1.350 740 I CB 0.984 38.983 38.000 -0.002 0.000 1.409 740 I HN 0.679 nan 8.210 nan 0.000 0.507 741 N N 4.703 123.393 118.700 -0.016 0.000 2.767 741 N HA 0.030 4.771 4.740 0.002 0.000 0.238 741 N C 1.164 176.643 175.510 -0.052 0.000 1.083 741 N CA -0.104 52.923 53.050 -0.039 0.000 0.964 741 N CB 0.621 39.079 38.487 -0.049 0.000 1.252 741 N HN 0.694 nan 8.380 nan 0.000 0.512 742 T N 0.278 114.812 114.554 -0.034 0.000 2.929 742 T HA -0.068 4.283 4.350 0.002 0.000 0.271 742 T C 1.700 176.370 174.700 -0.048 0.000 1.085 742 T CA 0.798 62.882 62.100 -0.027 0.000 1.125 742 T CB -0.059 68.807 68.868 -0.003 0.000 0.874 742 T HN 0.402 nan 8.240 nan 0.000 0.494 743 L N 0.110 121.283 121.223 -0.082 0.000 2.307 743 L HA 0.186 4.527 4.340 0.002 0.000 0.211 743 L C 2.051 178.831 176.870 -0.150 0.000 1.099 743 L CA 0.768 55.550 54.840 -0.096 0.000 0.816 743 L CB -0.166 41.835 42.059 -0.096 0.000 0.952 743 L HN 0.173 nan 8.230 nan 0.000 0.455 744 D N -0.762 119.499 120.400 -0.231 0.000 2.367 744 D HA 0.004 4.645 4.640 0.002 0.000 0.207 744 D C 0.725 176.952 176.300 -0.122 0.000 1.034 744 D CA 0.135 53.966 54.000 -0.282 0.000 0.861 744 D CB 0.210 40.584 40.800 -0.712 0.000 0.943 744 D HN 0.194 nan 8.370 nan 0.000 0.515 745 C N 1.256 120.502 119.300 -0.090 0.000 2.679 745 C HA 0.046 4.507 4.460 0.002 0.000 0.417 745 C C 1.608 176.528 174.990 -0.116 0.000 1.302 745 C CA -0.093 58.888 59.018 -0.061 0.000 1.973 745 C CB -0.158 27.563 27.740 -0.032 0.000 2.715 745 C HN 0.183 nan 8.230 nan 0.000 0.628 746 M N 3.772 123.275 119.600 -0.162 0.000 2.333 746 M HA 0.208 4.689 4.480 0.002 0.000 0.257 746 M C 1.698 177.944 176.300 -0.090 0.000 1.078 746 M CA 1.038 56.217 55.300 -0.202 0.000 1.005 746 M CB -0.825 31.516 32.600 -0.433 0.000 1.444 746 M HN 1.186 nan 8.290 nan 0.000 0.496 747 G N 1.105 109.876 108.800 -0.049 0.000 2.160 747 G HA2 -0.322 3.639 3.960 0.002 0.000 0.251 747 G HA3 -0.322 3.639 3.960 0.002 0.000 0.251 747 G C 1.062 175.958 174.900 -0.005 0.000 1.008 747 G CA 0.558 45.648 45.100 -0.017 0.000 0.724 747 G HN 0.634 nan 8.290 nan 0.000 0.514 748 C N -1.892 117.407 119.300 -0.002 0.000 2.446 748 C HA 0.460 4.921 4.460 0.002 0.000 0.277 748 C C 2.677 177.678 174.990 0.018 0.000 1.275 748 C CA 1.556 60.582 59.018 0.012 0.000 1.727 748 C CB -0.819 26.936 27.740 0.026 0.000 2.010 748 C HN 2.446 nan 8.230 nan 0.000 0.486 749 G N 0.748 109.560 108.800 0.021 0.000 2.176 749 G HA2 -0.259 3.702 3.960 0.002 0.000 0.232 749 G HA3 -0.259 3.702 3.960 0.002 0.000 0.232 749 G C 0.685 175.602 174.900 0.028 0.000 0.986 749 G CA 0.445 45.560 45.100 0.025 0.000 0.643 749 G HN 0.513 nan 8.290 nan 0.000 0.522 750 N N 0.372 119.089 118.700 0.028 0.000 2.104 750 N HA -0.195 4.546 4.740 0.002 0.000 0.190 750 N C 2.746 178.276 175.510 0.033 0.000 1.024 750 N CA 2.216 55.283 53.050 0.028 0.000 0.853 750 N CB -0.577 37.922 38.487 0.020 0.000 1.008 750 N HN 0.930 nan 8.380 nan 0.000 0.424 751 C N 0.715 120.037 119.300 0.036 0.000 2.413 751 C HA 0.062 4.523 4.460 0.002 0.000 0.278 751 C C 2.858 177.879 174.990 0.051 0.000 1.224 751 C CA 0.767 59.812 59.018 0.044 0.000 1.732 751 C CB -1.374 26.393 27.740 0.045 0.000 2.050 751 C HN 0.368 nan 8.230 nan 0.000 0.463 752 A N 1.325 124.175 122.820 0.051 0.000 1.933 752 A HA -0.211 4.109 4.320 0.002 0.000 0.218 752 A C 1.916 179.526 177.584 0.043 0.000 1.175 752 A CA 2.373 54.442 52.037 0.053 0.000 0.628 752 A CB -1.095 17.934 19.000 0.048 0.000 0.814 752 A HN 0.716 nan 8.150 nan 0.000 0.444 753 D N -1.107 119.315 120.400 0.037 0.000 2.178 753 D HA -0.120 4.521 4.640 0.002 0.000 0.201 753 D C 1.443 177.761 176.300 0.031 0.000 0.980 753 D CA 1.158 55.178 54.000 0.032 0.000 0.842 753 D CB -0.073 40.745 40.800 0.031 0.000 0.948 753 D HN 0.309 nan 8.370 nan 0.000 0.472 754 I N 0.072 120.661 120.570 0.033 0.000 3.427 754 I HA 0.095 4.266 4.170 0.002 0.000 0.288 754 I C 0.271 176.404 176.117 0.027 0.000 1.249 754 I CA -0.039 61.277 61.300 0.027 0.000 1.421 754 I CB -0.116 37.899 38.000 0.026 0.000 1.086 754 I HN 0.139 nan 8.210 nan 0.000 0.448 755 C N 3.950 123.274 119.300 0.041 0.000 2.409 755 C HA -0.043 4.418 4.460 0.002 0.000 0.399 755 C C -0.412 174.598 174.990 0.034 0.000 1.505 755 C CA -0.986 58.063 59.018 0.051 0.000 1.435 755 C CB -0.285 27.498 27.740 0.073 0.000 2.462 755 C HN 0.299 nan 8.230 nan 0.000 0.619 756 P HA -0.094 nan 4.420 nan 0.000 0.214 756 P C -1.701 175.606 177.300 0.011 0.000 1.169 756 P CA 1.451 64.556 63.100 0.009 0.000 0.908 756 P CB -1.141 30.558 31.700 -0.001 0.000 0.791 757 P HA -0.088 nan 4.420 nan 0.000 0.261 757 P C 0.675 177.980 177.300 0.008 0.000 1.173 757 P CA 0.627 63.733 63.100 0.010 0.000 0.760 757 P CB 0.708 32.415 31.700 0.012 0.000 0.783 758 K N 2.308 122.710 120.400 0.003 0.000 2.103 758 K HA -0.139 4.182 4.320 0.002 0.000 0.207 758 K C 0.599 177.200 176.600 0.002 0.000 1.048 758 K CA 1.157 57.446 56.287 0.003 0.000 0.930 758 K CB 0.162 32.662 32.500 0.000 0.000 0.716 758 K HN 0.433 nan 8.250 nan 0.000 0.444 759 E N 2.520 122.719 120.200 -0.002 0.000 1.932 759 E HA 0.037 4.388 4.350 0.002 0.000 0.259 759 E C -0.756 175.841 176.600 -0.005 0.000 1.099 759 E CA -0.125 56.270 56.400 -0.007 0.000 0.970 759 E CB 0.751 30.441 29.700 -0.015 0.000 1.143 759 E HN 0.094 nan 8.360 nan 0.000 0.441 760 K N 0.664 121.067 120.400 0.004 0.000 2.578 760 K HA -0.102 4.219 4.320 0.002 0.000 0.279 760 K C 0.814 177.420 176.600 0.011 0.000 0.983 760 K CA 0.213 56.511 56.287 0.017 0.000 1.078 760 K CB 0.468 32.982 32.500 0.024 0.000 0.852 760 K HN 0.405 nan 8.250 nan 0.000 0.490 761 A N 3.818 126.664 122.820 0.042 0.000 2.308 761 A HA 0.187 4.508 4.320 0.002 0.000 0.217 761 A C 0.394 178.054 177.584 0.126 0.000 1.216 761 A CA 0.167 52.227 52.037 0.039 0.000 0.864 761 A CB 0.229 19.299 19.000 0.116 0.000 0.902 761 A HN 0.528 nan 8.150 nan 0.000 0.499 762 L N 0.500 121.796 121.223 0.120 0.000 2.439 762 L HA 0.529 4.870 4.340 0.002 0.000 0.270 762 L C -1.503 175.414 176.870 0.078 0.000 0.972 762 L CA -0.663 54.260 54.840 0.138 0.000 0.836 762 L CB 2.455 44.602 42.059 0.146 0.000 1.255 762 L HN -0.097 nan 8.230 nan 0.000 0.404 763 V N 3.635 123.589 119.914 0.068 0.000 2.638 763 V HA 0.440 4.561 4.120 0.002 0.000 0.306 763 V C 0.099 176.219 176.094 0.043 0.000 1.052 763 V CA -0.694 61.633 62.300 0.044 0.000 0.885 763 V CB 2.152 33.992 31.823 0.028 0.000 0.999 763 V HN 0.631 nan 8.190 nan 0.000 0.424 764 M N 4.775 124.396 119.600 0.035 0.000 2.238 764 M HA 0.390 4.871 4.480 0.002 0.000 0.350 764 M C -0.222 176.094 176.300 0.026 0.000 1.321 764 M CA 0.504 55.823 55.300 0.031 0.000 1.097 764 M CB 0.281 32.895 32.600 0.025 0.000 1.713 764 M HN 0.630 nan 8.290 nan 0.000 0.455 765 Q N 2.900 122.717 119.800 0.027 0.000 2.456 765 Q HA 0.584 4.925 4.340 0.002 0.000 0.283 765 Q C -2.530 173.484 176.000 0.023 0.000 1.084 765 Q CA -1.947 53.870 55.803 0.024 0.000 0.801 765 Q CB 1.572 30.327 28.738 0.028 0.000 1.434 765 Q HN 0.326 nan 8.270 nan 0.000 0.419 766 P HA -0.035 nan 4.420 nan 0.000 0.266 766 P C 0.766 178.081 177.300 0.024 0.000 1.195 766 P CA -0.114 62.999 63.100 0.021 0.000 0.768 766 P CB 0.520 32.233 31.700 0.021 0.000 0.838 767 L N 4.420 125.657 121.223 0.023 0.000 2.042 767 L HA -0.224 4.117 4.340 0.002 0.000 0.210 767 L C 1.435 178.324 176.870 0.031 0.000 1.076 767 L CA 2.310 57.165 54.840 0.024 0.000 0.749 767 L CB -1.424 40.648 42.059 0.022 0.000 0.893 767 L HN 0.382 nan 8.230 nan 0.000 0.432 768 D N -2.178 118.243 120.400 0.035 0.000 2.311 768 D HA -0.205 4.436 4.640 0.002 0.000 0.212 768 D C 1.761 178.084 176.300 0.039 0.000 0.972 768 D CA 1.328 55.354 54.000 0.042 0.000 0.887 768 D CB -0.823 40.007 40.800 0.050 0.000 0.915 768 D HN 0.557 nan 8.370 nan 0.000 0.497 769 T N -4.362 110.212 114.554 0.034 0.000 3.081 769 T HA 0.062 4.413 4.350 0.002 0.000 0.250 769 T C 1.501 176.221 174.700 0.034 0.000 1.100 769 T CA 0.050 62.170 62.100 0.033 0.000 1.038 769 T CB 0.214 69.100 68.868 0.029 0.000 0.962 769 T HN 0.003 nan 8.240 nan 0.000 0.516 770 Q N 0.897 120.717 119.800 0.034 0.000 2.431 770 Q HA 0.214 4.555 4.340 0.002 0.000 0.244 770 Q C 2.520 178.541 176.000 0.036 0.000 0.880 770 Q CA 0.408 56.232 55.803 0.036 0.000 0.954 770 Q CB 0.023 28.782 28.738 0.036 0.000 1.105 770 Q HN 0.728 nan 8.270 nan 0.000 0.558 771 R N 1.257 121.776 120.500 0.032 0.000 2.083 771 R HA -0.140 4.201 4.340 0.002 0.000 0.237 771 R C 1.014 177.333 176.300 0.032 0.000 1.137 771 R CA 1.769 57.886 56.100 0.029 0.000 0.951 771 R CB -0.508 29.809 30.300 0.028 0.000 0.851 771 R HN -0.000 nan 8.270 nan 0.000 0.434 772 D N 1.086 121.506 120.400 0.033 0.000 2.158 772 D HA -0.143 4.498 4.640 0.002 0.000 0.197 772 D C 1.871 178.192 176.300 0.035 0.000 0.995 772 D CA 1.933 55.952 54.000 0.031 0.000 0.846 772 D CB -0.059 40.759 40.800 0.030 0.000 0.941 772 D HN 0.533 nan 8.370 nan 0.000 0.456 773 A N 0.325 123.170 122.820 0.041 0.000 1.924 773 A HA -0.058 4.263 4.320 0.002 0.000 0.211 773 A C 2.044 179.668 177.584 0.067 0.000 1.198 773 A CA 0.571 52.638 52.037 0.051 0.000 0.657 773 A CB -0.003 19.028 19.000 0.052 0.000 0.852 773 A HN -0.023 nan 8.150 nan 0.000 0.454 774 Q N -0.104 119.732 119.800 0.061 0.000 2.311 774 Q HA 0.038 4.379 4.340 0.002 0.000 0.203 774 Q C 2.127 178.164 176.000 0.062 0.000 0.954 774 Q CA 0.898 56.742 55.803 0.068 0.000 0.885 774 Q CB -0.616 28.152 28.738 0.051 0.000 0.963 774 Q HN 0.440 nan 8.270 nan 0.000 0.471 775 V N 2.541 122.482 119.914 0.045 0.000 2.261 775 V HA -0.169 3.952 4.120 0.002 0.000 0.246 775 V C -0.602 175.522 176.094 0.051 0.000 1.047 775 V CA 2.132 64.452 62.300 0.033 0.000 1.015 775 V CB -1.587 30.249 31.823 0.021 0.000 0.642 775 V HN 0.263 nan 8.190 nan 0.000 0.446 776 P HA -0.105 nan 4.420 nan 0.000 0.221 776 P C 0.960 178.324 177.300 0.107 0.000 1.150 776 P CA 1.246 64.383 63.100 0.063 0.000 0.800 776 P CB -0.111 31.614 31.700 0.041 0.000 0.787 777 N N 0.084 118.876 118.700 0.154 0.000 2.216 777 N HA -0.060 4.681 4.740 0.002 0.000 0.183 777 N C 1.823 177.518 175.510 0.309 0.000 1.017 777 N CA 0.445 53.675 53.050 0.300 0.000 0.861 777 N CB -0.987 37.714 38.487 0.356 0.000 0.986 777 N HN 0.112 nan 8.380 nan 0.000 0.428 778 L N 1.749 123.076 121.223 0.174 0.000 2.056 778 L HA -0.123 4.218 4.340 0.002 0.000 0.207 778 L C 2.086 179.014 176.870 0.096 0.000 1.078 778 L CA 1.863 56.775 54.840 0.120 0.000 0.749 778 L CB -0.743 41.344 42.059 0.048 0.000 0.901 778 L HN 0.044 nan 8.230 nan 0.000 0.433 779 E N -0.453 119.797 120.200 0.084 0.000 2.085 779 E HA -0.317 4.034 4.350 0.002 0.000 0.194 779 E C 2.109 178.741 176.600 0.053 0.000 0.994 779 E CA 1.841 58.275 56.400 0.058 0.000 0.801 779 E CB -0.662 29.072 29.700 0.057 0.000 0.743 779 E HN 0.565 nan 8.360 nan 0.000 0.453 780 Y N 0.195 120.459 120.300 -0.060 0.000 2.184 780 Y HA -0.003 4.548 4.550 0.001 0.000 0.290 780 Y C 2.178 177.987 175.900 -0.151 0.000 1.129 780 Y CA 1.814 59.815 58.100 -0.165 0.000 1.144 780 Y CB -0.775 37.476 38.460 -0.347 0.000 0.995 780 Y HN 0.117 nan 8.280 nan 0.000 0.513 781 A N 0.501 123.337 122.820 0.027 0.000 1.978 781 A HA -0.160 4.161 4.320 0.002 0.000 0.220 781 A C 2.359 179.918 177.584 -0.042 0.000 1.170 781 A CA 1.796 53.885 52.037 0.086 0.000 0.636 781 A CB -1.449 17.741 19.000 0.316 0.000 0.810 781 A HN 0.591 nan 8.150 nan 0.000 0.448 782 A N -0.395 122.402 122.820 -0.037 0.000 2.070 782 A HA -0.136 4.185 4.320 0.002 0.000 0.220 782 A C 2.167 179.696 177.584 -0.092 0.000 1.159 782 A CA 1.379 53.391 52.037 -0.041 0.000 0.656 782 A CB -0.377 18.615 19.000 -0.013 0.000 0.800 782 A HN 0.573 nan 8.150 nan 0.000 0.453 783 R N -0.780 119.610 120.500 -0.183 0.000 2.246 783 R HA 0.229 4.570 4.340 0.002 0.000 0.199 783 R C -0.207 175.962 176.300 -0.217 0.000 0.984 783 R CA 0.020 55.996 56.100 -0.206 0.000 1.015 783 R CB -0.086 30.047 30.300 -0.278 0.000 0.930 783 R HN 0.452 nan 8.270 nan 0.000 0.475 784 I N 3.372 123.801 120.570 -0.236 0.000 2.452 784 I HA 0.088 4.259 4.170 0.002 0.000 0.287 784 I C -2.032 174.032 176.117 -0.088 0.000 1.079 784 I CA -2.025 59.176 61.300 -0.165 0.000 1.387 784 I CB 0.544 38.471 38.000 -0.121 0.000 1.404 784 I HN -0.280 nan 8.210 nan 0.000 0.522 785 P HA -0.023 nan 4.420 nan 0.000 0.262 785 P C -0.507 176.765 177.300 -0.047 0.000 1.182 785 P CA -0.092 62.980 63.100 -0.047 0.000 0.761 785 P CB 0.298 31.978 31.700 -0.032 0.000 0.795 786 V N 5.556 125.446 119.914 -0.040 0.000 2.479 786 V HA 0.009 4.130 4.120 0.002 0.000 0.281 786 V C 1.077 177.134 176.094 -0.062 0.000 1.031 786 V CA 0.124 62.401 62.300 -0.037 0.000 1.038 786 V CB 0.079 31.896 31.823 -0.009 0.000 0.981 786 V HN 0.404 nan 8.190 nan 0.000 0.478 787 K N 3.905 124.220 120.400 -0.141 0.000 2.278 787 K HA 0.109 4.430 4.320 0.002 0.000 0.237 787 K C 1.394 177.918 176.600 -0.126 0.000 1.229 787 K CA 0.177 56.345 56.287 -0.198 0.000 1.155 787 K CB 0.111 32.349 32.500 -0.437 0.000 1.590 787 K HN 0.853 nan 8.250 nan 0.000 0.290 788 S N -0.136 115.543 115.700 -0.035 0.000 2.515 788 S HA -0.037 4.434 4.470 0.002 0.000 0.231 788 S C 0.947 175.553 174.600 0.010 0.000 0.987 788 S CA 0.415 58.624 58.200 0.015 0.000 0.936 788 S CB 0.139 63.345 63.200 0.011 0.000 0.766 788 S HN 0.309 nan 8.310 nan 0.000 0.528 789 E N 0.953 121.144 120.200 -0.014 0.000 2.474 789 E HA 0.219 4.570 4.350 0.002 0.000 0.195 789 E C 1.739 178.336 176.600 -0.005 0.000 1.039 789 E CA 0.131 56.530 56.400 -0.002 0.000 0.881 789 E CB 0.074 29.775 29.700 0.002 0.000 0.970 789 E HN 0.463 nan 8.360 nan 0.000 0.486 790 V N 0.612 120.500 119.914 -0.043 0.000 2.488 790 V HA -0.027 4.094 4.120 0.002 0.000 0.246 790 V C 1.315 177.418 176.094 0.015 0.000 1.046 790 V CA 1.128 63.395 62.300 -0.055 0.000 1.053 790 V CB -0.059 31.623 31.823 -0.235 0.000 0.679 790 V HN 0.103 nan 8.190 nan 0.000 0.458 791 L N -1.046 120.220 121.223 0.071 0.000 2.309 791 L HA 0.492 4.833 4.340 0.002 0.000 0.261 791 L C -2.626 174.284 176.870 0.068 0.000 1.021 791 L CA -2.064 52.831 54.840 0.092 0.000 0.823 791 L CB 1.661 43.818 42.059 0.163 0.000 1.366 791 L HN -0.062 nan 8.230 nan 0.000 0.423 792 P HA 0.063 nan 4.420 nan 0.000 0.264 792 P C 0.104 177.416 177.300 0.021 0.000 1.193 792 P CA 0.036 63.154 63.100 0.029 0.000 0.763 792 P CB 0.595 32.308 31.700 0.021 0.000 0.810 793 R N 3.241 123.745 120.500 0.007 0.000 2.127 793 R HA -0.168 4.173 4.340 0.002 0.000 0.238 793 R C 0.812 177.084 176.300 -0.048 0.000 1.134 793 R CA 1.893 57.981 56.100 -0.020 0.000 0.975 793 R CB -0.148 30.127 30.300 -0.042 0.000 0.865 793 R HN 0.532 nan 8.270 nan 0.000 0.447 794 D N -0.318 120.058 120.400 -0.039 0.000 2.342 794 D HA -0.023 4.618 4.640 0.002 0.000 0.221 794 D C -0.018 176.276 176.300 -0.010 0.000 1.101 794 D CA -0.147 53.826 54.000 -0.045 0.000 0.837 794 D CB 0.140 40.918 40.800 -0.035 0.000 0.938 794 D HN 0.139 nan 8.370 nan 0.000 0.508 795 S N -0.707 114.990 115.700 -0.005 0.000 2.632 795 S HA 0.261 4.732 4.470 0.002 0.000 0.271 795 S C 1.286 175.876 174.600 -0.017 0.000 1.260 795 S CA -0.940 57.253 58.200 -0.012 0.000 1.010 795 S CB 1.818 65.010 63.200 -0.013 0.000 0.965 795 S HN 0.171 nan 8.310 nan 0.000 0.534 796 L N 1.211 122.396 121.223 -0.064 0.000 1.956 796 L HA -0.154 4.187 4.340 0.002 0.000 0.216 796 L C 2.751 179.558 176.870 -0.106 0.000 1.073 796 L CA 1.989 56.748 54.840 -0.134 0.000 0.762 796 L CB -0.482 41.430 42.059 -0.245 0.000 0.889 796 L HN 0.973 nan 8.230 nan 0.000 0.433 797 K N -0.749 119.557 120.400 -0.157 0.000 2.097 797 K HA -0.134 4.187 4.320 0.002 0.000 0.205 797 K C 1.880 178.256 176.600 -0.373 0.000 1.050 797 K CA 1.287 57.410 56.287 -0.274 0.000 0.938 797 K CB -0.321 32.035 32.500 -0.240 0.000 0.718 797 K HN 0.536 nan 8.250 nan 0.000 0.442 798 G N 0.438 109.151 108.800 -0.146 0.000 2.418 798 G HA2 -0.280 3.681 3.960 0.002 0.000 0.217 798 G HA3 -0.280 3.681 3.960 0.002 0.000 0.217 798 G C 1.494 176.383 174.900 -0.019 0.000 1.158 798 G CA 1.115 46.203 45.100 -0.020 0.000 0.771 798 G HN 0.493 nan 8.290 nan 0.000 0.545 799 S N 0.184 115.872 115.700 -0.020 0.000 2.402 799 S HA -0.148 4.323 4.470 0.002 0.000 0.233 799 S C 1.975 176.560 174.600 -0.026 0.000 1.030 799 S CA 1.470 59.668 58.200 -0.004 0.000 1.003 799 S CB -0.237 63.011 63.200 0.079 0.000 0.813 799 S HN 0.312 nan 8.310 nan 0.000 0.477 800 Q N -0.046 119.710 119.800 -0.073 0.000 2.444 800 Q HA 0.315 4.656 4.340 0.002 0.000 0.206 800 Q C 0.507 176.487 176.000 -0.034 0.000 0.948 800 Q CA 0.306 56.052 55.803 -0.095 0.000 0.946 800 Q CB -0.446 28.218 28.738 -0.123 0.000 1.027 800 Q HN 0.799 nan 8.270 nan 0.000 0.513 801 F N 0.369 120.319 119.950 0.001 0.000 2.647 801 F HA 0.166 4.694 4.527 0.002 0.000 0.300 801 F C 0.718 176.495 175.800 -0.038 0.000 1.106 801 F CA -0.533 57.455 58.000 -0.020 0.000 1.313 801 F CB 0.874 39.858 39.000 -0.027 0.000 1.007 801 F HN -0.102 nan 8.300 nan 0.000 0.536 802 Q N 0.743 120.612 119.800 0.114 0.000 2.297 802 Q HA 0.264 4.605 4.340 0.002 0.000 0.268 802 Q C -0.391 175.607 176.000 -0.003 0.000 1.045 802 Q CA -0.542 55.279 55.803 0.031 0.000 0.861 802 Q CB 1.683 30.409 28.738 -0.020 0.000 1.344 802 Q HN 0.296 nan 8.270 nan 0.000 0.452 803 E N 3.293 123.480 120.200 -0.023 0.000 2.257 803 E HA 0.160 4.511 4.350 0.002 0.000 0.278 803 E C -2.079 174.478 176.600 -0.073 0.000 1.049 803 E CA -1.487 54.888 56.400 -0.042 0.000 0.876 803 E CB 0.628 30.305 29.700 -0.038 0.000 1.035 803 E HN 0.170 nan 8.360 nan 0.000 0.419 804 P HA 0.087 nan 4.420 nan 0.000 0.286 804 P C -0.138 177.073 177.300 -0.149 0.000 1.269 804 P CA -0.048 62.968 63.100 -0.140 0.000 0.787 804 P CB 0.788 32.383 31.700 -0.174 0.000 0.920 805 L N 3.089 124.243 121.223 -0.115 0.000 2.848 805 L HA 0.371 4.712 4.340 0.002 0.000 0.240 805 L C 0.783 177.585 176.870 -0.113 0.000 1.232 805 L CA 0.268 55.060 54.840 -0.080 0.000 1.031 805 L CB -0.055 42.007 42.059 0.005 0.000 1.338 805 L HN 0.376 nan 8.230 nan 0.000 0.509 806 M N 1.497 120.938 119.600 -0.265 0.000 2.215 806 M HA 0.394 4.875 4.480 0.002 0.000 0.251 806 M C -1.671 174.342 176.300 -0.478 0.000 0.987 806 M CA 0.147 55.170 55.300 -0.462 0.000 1.025 806 M CB 1.702 33.950 32.600 -0.588 0.000 2.064 806 M HN 0.120 nan 8.290 nan 0.000 0.473 807 E N 3.870 123.731 120.200 -0.566 0.000 2.367 807 E HA 0.574 4.925 4.350 0.002 0.000 0.273 807 E C -0.842 175.353 176.600 -0.675 0.000 0.903 807 E CA -0.893 54.993 56.400 -0.856 0.000 0.764 807 E CB 1.839 30.592 29.700 -1.578 0.000 1.252 807 E HN 0.650 nan 8.360 nan 0.000 0.446 808 F N 0.144 120.057 119.950 -0.062 0.000 2.943 808 F HA -0.272 4.256 4.527 0.001 0.000 0.258 808 F C 0.766 176.606 175.800 0.065 0.000 0.995 808 F CA 0.117 58.143 58.000 0.044 0.000 0.896 808 F CB -1.823 37.181 39.000 0.007 0.000 0.821 808 F HN 0.359 nan 8.300 nan 0.000 0.828 809 S N 0.443 116.202 115.700 0.100 0.000 2.634 809 S HA 0.578 5.049 4.470 0.002 0.000 0.261 809 S C 1.273 175.999 174.600 0.211 0.000 1.271 809 S CA -0.208 58.044 58.200 0.088 0.000 0.985 809 S CB 1.694 64.859 63.200 -0.059 0.000 0.968 809 S HN 0.498 nan 8.310 nan 0.000 0.568 810 G N -0.406 108.529 108.800 0.226 0.000 3.262 810 G HA2 0.469 4.430 3.960 0.002 0.000 0.228 810 G HA3 0.469 4.430 3.960 0.002 0.000 0.228 810 G C 0.462 175.509 174.900 0.245 0.000 1.197 810 G CA 0.020 45.260 45.100 0.234 0.000 0.819 810 G HN 1.093 nan 8.290 nan 0.000 0.531 811 A N -0.509 122.422 122.820 0.184 0.000 2.406 811 A HA 0.432 4.753 4.320 0.002 0.000 0.243 811 A C 0.884 178.581 177.584 0.188 0.000 1.082 811 A CA -0.307 51.771 52.037 0.068 0.000 0.786 811 A CB 0.082 18.797 19.000 -0.475 0.000 1.029 811 A HN 0.368 nan 8.150 nan 0.000 0.495 812 C N 0.652 120.029 119.300 0.128 0.000 2.727 812 C HA 0.349 4.810 4.460 0.002 0.000 0.401 812 C C 1.549 176.633 174.990 0.156 0.000 1.294 812 C CA -0.113 58.975 59.018 0.117 0.000 2.134 812 C CB -0.117 27.669 27.740 0.077 0.000 2.724 812 C HN 0.918 nan 8.230 nan 0.000 0.677 813 S N 0.884 116.633 115.700 0.082 0.000 2.525 813 S HA 0.405 4.876 4.470 0.002 0.000 0.285 813 S C 1.194 175.837 174.600 0.072 0.000 1.283 813 S CA 0.788 59.020 58.200 0.053 0.000 1.072 813 S CB -0.287 62.904 63.200 -0.015 0.000 0.867 813 S HN 1.958 nan 8.310 nan 0.000 0.492 814 G N 3.007 111.863 108.800 0.094 0.000 2.176 814 G HA2 -0.278 3.683 3.960 0.002 0.000 0.253 814 G HA3 -0.278 3.683 3.960 0.002 0.000 0.253 814 G C 0.654 175.564 174.900 0.016 0.000 0.979 814 G CA -0.071 45.057 45.100 0.046 0.000 0.641 814 G HN 1.246 nan 8.290 nan 0.000 0.530 815 C N 1.518 120.822 119.300 0.008 0.000 2.378 815 C HA 0.420 4.881 4.460 0.002 0.000 0.395 815 C C 2.225 177.178 174.990 -0.062 0.000 1.476 815 C CA 1.262 60.254 59.018 -0.044 0.000 1.541 815 C CB -0.166 27.490 27.740 -0.141 0.000 2.524 815 C HN 1.129 nan 8.230 nan 0.000 0.595 816 G N 3.457 112.248 108.800 -0.014 0.000 2.813 816 G HA2 0.009 3.970 3.960 0.002 0.000 0.209 816 G HA3 0.009 3.970 3.960 0.002 0.000 0.209 816 G C 1.290 176.260 174.900 0.117 0.000 1.150 816 G CA 0.352 45.463 45.100 0.019 0.000 0.785 816 G HN 0.918 nan 8.290 nan 0.000 0.535 817 E N 0.424 120.679 120.200 0.092 0.000 2.075 817 E HA -0.080 4.271 4.350 0.002 0.000 0.190 817 E C 2.799 179.478 176.600 0.132 0.000 0.969 817 E CA 1.278 57.813 56.400 0.225 0.000 0.815 817 E CB -0.221 29.686 29.700 0.345 0.000 0.776 817 E HN 0.465 nan 8.360 nan 0.000 0.457 818 T N -0.114 114.291 114.554 -0.249 0.000 2.833 818 T HA -0.081 4.270 4.350 0.002 0.000 0.269 818 T C -1.136 173.390 174.700 -0.289 0.000 1.054 818 T CA 0.650 62.464 62.100 -0.477 0.000 1.135 818 T CB -1.323 67.021 68.868 -0.874 0.000 0.869 818 T HN -0.014 nan 8.240 nan 0.000 0.466 819 P HA -0.024 nan 4.420 nan 0.000 0.216 819 P C 0.917 178.058 177.300 -0.265 0.000 1.153 819 P CA 0.975 63.895 63.100 -0.301 0.000 0.848 819 P CB -0.236 31.248 31.700 -0.360 0.000 0.787 820 Y N -0.845 119.379 120.300 -0.126 0.000 2.128 820 Y HA -0.193 4.358 4.550 0.002 0.000 0.284 820 Y C 2.394 178.257 175.900 -0.061 0.000 1.154 820 Y CA 0.902 58.959 58.100 -0.071 0.000 1.149 820 Y CB -1.428 37.097 38.460 0.109 0.000 0.976 820 Y HN -0.258 nan 8.280 nan 0.000 0.505 821 V N 0.230 120.213 119.914 0.115 0.000 2.343 821 V HA -0.309 3.812 4.120 0.002 0.000 0.247 821 V C 2.403 178.503 176.094 0.009 0.000 1.051 821 V CA 2.084 64.425 62.300 0.068 0.000 1.036 821 V CB -0.646 31.354 31.823 0.296 0.000 0.654 821 V HN 0.334 nan 8.190 nan 0.000 0.451 822 R N 0.018 120.458 120.500 -0.100 0.000 2.083 822 R HA -0.160 4.181 4.340 0.002 0.000 0.237 822 R C 2.195 178.387 176.300 -0.180 0.000 1.137 822 R CA 1.964 57.961 56.100 -0.172 0.000 0.951 822 R CB -0.386 29.765 30.300 -0.249 0.000 0.851 822 R HN 0.384 nan 8.270 nan 0.000 0.434 823 V N 1.264 121.051 119.914 -0.210 0.000 2.407 823 V HA -0.246 3.875 4.120 0.002 0.000 0.248 823 V C 2.354 178.318 176.094 -0.217 0.000 1.055 823 V CA 1.828 63.969 62.300 -0.265 0.000 1.049 823 V CB -0.373 31.272 31.823 -0.297 0.000 0.662 823 V HN 0.358 nan 8.190 nan 0.000 0.455 824 I N 1.149 121.627 120.570 -0.153 0.000 2.208 824 I HA -0.269 3.901 4.170 0.002 0.000 0.245 824 I C 2.725 178.736 176.117 -0.177 0.000 1.097 824 I CA 2.140 63.315 61.300 -0.209 0.000 1.363 824 I CB -0.756 37.076 38.000 -0.280 0.000 1.051 824 I HN 0.536 nan 8.210 nan 0.000 0.413 825 T N -1.925 112.574 114.554 -0.092 0.000 2.915 825 T HA -0.188 4.163 4.350 0.002 0.000 0.269 825 T C 1.689 176.319 174.700 -0.117 0.000 1.071 825 T CA 0.919 62.989 62.100 -0.051 0.000 1.132 825 T CB -0.330 68.548 68.868 0.017 0.000 0.878 825 T HN 0.414 nan 8.240 nan 0.000 0.479 826 Q N -0.087 119.610 119.800 -0.173 0.000 2.369 826 Q HA 0.166 4.506 4.340 0.002 0.000 0.206 826 Q C 1.599 177.450 176.000 -0.247 0.000 0.963 826 Q CA 0.651 56.348 55.803 -0.177 0.000 0.894 826 Q CB -0.086 28.548 28.738 -0.174 0.000 0.965 826 Q HN 0.410 nan 8.270 nan 0.000 0.475 827 L N -2.368 118.602 121.223 -0.422 0.000 2.425 827 L HA 0.117 4.457 4.340 0.002 0.000 0.215 827 L C 0.775 177.149 176.870 -0.827 0.000 1.065 827 L CA 1.186 55.577 54.840 -0.748 0.000 0.842 827 L CB 0.458 41.782 42.059 -1.225 0.000 1.033 827 L HN 0.124 nan 8.230 nan 0.000 0.474 828 F N -2.480 117.444 119.950 -0.043 0.000 2.856 828 F HA 0.346 4.874 4.527 0.002 0.000 0.338 828 F C 2.050 177.839 175.800 -0.018 0.000 1.100 828 F CA 0.155 58.156 58.000 0.002 0.000 1.150 828 F CB -0.601 38.429 39.000 0.051 0.000 1.101 828 F HN -0.075 nan 8.300 nan 0.000 0.548 829 G N 1.634 110.471 108.800 0.062 0.000 2.606 829 G HA2 -0.358 3.603 3.960 0.002 0.000 0.221 829 G HA3 -0.358 3.603 3.960 0.002 0.000 0.221 829 G C 1.654 176.578 174.900 0.040 0.000 1.152 829 G CA 1.679 46.805 45.100 0.043 0.000 0.765 829 G HN 0.446 nan 8.290 nan 0.000 0.595 830 E N 1.394 121.617 120.200 0.038 0.000 2.409 830 E HA -0.163 4.188 4.350 0.002 0.000 0.198 830 E C 1.810 178.425 176.600 0.025 0.000 1.024 830 E CA 1.037 57.452 56.400 0.024 0.000 0.861 830 E CB -0.219 29.496 29.700 0.025 0.000 0.788 830 E HN 0.734 nan 8.360 nan 0.000 0.521 831 R N 0.555 121.094 120.500 0.065 0.000 2.615 831 R HA 0.321 4.662 4.340 0.002 0.000 0.448 831 R C 0.537 176.886 176.300 0.080 0.000 1.009 831 R CA -0.321 55.816 56.100 0.062 0.000 1.111 831 R CB -0.289 30.085 30.300 0.123 0.000 1.461 831 R HN 0.103 nan 8.270 nan 0.000 0.587 832 M N -0.583 119.045 119.600 0.046 0.000 2.537 832 M HA 0.569 5.050 4.480 0.002 0.000 0.324 832 M C -1.503 174.771 176.300 -0.044 0.000 1.187 832 M CA -0.664 54.703 55.300 0.112 0.000 0.993 832 M CB 1.448 34.129 32.600 0.135 0.000 1.666 832 M HN -0.181 nan 8.290 nan 0.000 0.461 833 F N 1.848 121.814 119.950 0.026 0.000 2.458 833 F HA 0.697 5.225 4.527 0.001 0.000 0.330 833 F C -0.362 175.350 175.800 -0.147 0.000 1.082 833 F CA -0.570 57.384 58.000 -0.077 0.000 0.995 833 F CB 1.906 40.846 39.000 -0.101 0.000 1.170 833 F HN 0.475 nan 8.300 nan 0.000 0.478 834 I N 2.462 122.961 120.570 -0.118 0.000 2.468 834 I HA 0.446 4.617 4.170 0.002 0.000 0.285 834 I C -0.848 174.968 176.117 -0.501 0.000 1.039 834 I CA -0.784 60.269 61.300 -0.411 0.000 1.074 834 I CB 1.788 39.373 38.000 -0.691 0.000 1.228 834 I HN 0.640 nan 8.210 nan 0.000 0.436 835 A N 5.959 128.548 122.820 -0.384 0.000 2.280 835 A HA 0.438 4.758 4.320 0.002 0.000 0.320 835 A C -0.505 176.887 177.584 -0.320 0.000 1.366 835 A CA -0.483 51.372 52.037 -0.304 0.000 0.938 835 A CB 0.202 19.083 19.000 -0.198 0.000 1.157 835 A HN 0.695 nan 8.150 nan 0.000 0.536 836 N N 2.130 120.527 118.700 -0.504 0.000 2.425 836 N HA 0.501 5.242 4.740 0.002 0.000 0.268 836 N C 0.017 175.329 175.510 -0.329 0.000 0.991 836 N CA 0.001 52.792 53.050 -0.432 0.000 0.931 836 N CB 1.766 39.864 38.487 -0.649 0.000 1.130 836 N HN 0.697 nan 8.380 nan 0.000 0.493 837 A N 2.614 125.220 122.820 -0.356 0.000 2.425 837 A HA 0.262 4.583 4.320 0.002 0.000 0.242 837 A C 0.479 178.037 177.584 -0.043 0.000 1.077 837 A CA -0.025 51.834 52.037 -0.296 0.000 0.781 837 A CB 0.002 18.611 19.000 -0.651 0.000 1.020 837 A HN 0.637 nan 8.150 nan 0.000 0.494 838 T N 1.011 115.622 114.554 0.094 0.000 2.940 838 T HA 0.517 4.868 4.350 0.002 0.000 0.309 838 T C 0.734 175.396 174.700 -0.063 0.000 1.056 838 T CA 1.016 63.122 62.100 0.010 0.000 1.137 838 T CB 0.641 69.493 68.868 -0.027 0.000 0.976 838 T HN 1.784 nan 8.240 nan 0.000 0.547 839 G N 0.115 108.839 108.800 -0.126 0.000 2.352 839 G HA2 0.079 4.040 3.960 0.002 0.000 0.283 839 G HA3 0.079 4.040 3.960 0.002 0.000 0.283 839 G C 0.812 175.652 174.900 -0.099 0.000 1.308 839 G CA -0.252 44.768 45.100 -0.133 0.000 0.892 839 G HN 0.684 nan 8.290 nan 0.000 0.504 840 C N 0.497 119.773 119.300 -0.040 0.000 2.401 840 C HA -0.050 4.411 4.460 0.002 0.000 0.276 840 C C 3.421 178.175 174.990 -0.393 0.000 1.233 840 C CA 2.788 61.797 59.018 -0.014 0.000 1.753 840 C CB -1.319 26.534 27.740 0.188 0.000 2.029 840 C HN 1.087 nan 8.230 nan 0.000 0.478 841 S N 1.025 116.471 115.700 -0.425 0.000 2.442 841 S HA -0.145 4.326 4.470 0.002 0.000 0.236 841 S C 1.676 175.810 174.600 -0.778 0.000 1.007 841 S CA 1.711 59.279 58.200 -1.052 0.000 0.965 841 S CB -0.615 62.424 63.200 -0.269 0.000 0.773 841 S HN 0.801 nan 8.310 nan 0.000 0.504 842 S N 0.968 116.517 115.700 -0.253 0.000 2.478 842 S HA 0.207 4.678 4.470 0.002 0.000 0.222 842 S C 1.716 176.287 174.600 -0.049 0.000 1.008 842 S CA 0.040 58.289 58.200 0.082 0.000 0.928 842 S CB -0.403 62.880 63.200 0.137 0.000 0.781 842 S HN 0.386 nan 8.310 nan 0.000 0.518 843 I N 2.085 122.565 120.570 -0.150 0.000 2.339 843 I HA 0.039 4.210 4.170 0.002 0.000 0.245 843 I C 2.566 178.698 176.117 0.025 0.000 1.096 843 I CA 0.752 62.022 61.300 -0.051 0.000 1.408 843 I CB -1.585 36.409 38.000 -0.010 0.000 1.092 843 I HN 0.647 nan 8.210 nan 0.000 0.423 844 W N 1.043 122.381 121.300 0.064 0.000 2.584 844 W HA 0.172 4.833 4.660 0.002 0.000 0.264 844 W C 1.799 178.314 176.519 -0.007 0.000 1.264 844 W CA 0.677 58.042 57.345 0.033 0.000 1.306 844 W CB -1.323 28.156 29.460 0.032 0.000 1.110 844 W HN 0.092 nan 8.180 nan 0.000 0.606 845 G N 1.278 110.021 108.800 -0.094 0.000 2.403 845 G HA2 0.140 4.101 3.960 0.002 0.000 0.216 845 G HA3 0.140 4.101 3.960 0.002 0.000 0.216 845 G C 1.032 175.697 174.900 -0.392 0.000 1.154 845 G CA 1.191 46.200 45.100 -0.152 0.000 0.784 845 G HN 0.324 nan 8.290 nan 0.000 0.538 846 A N -0.213 122.400 122.820 -0.344 0.000 3.214 846 A HA 0.591 4.911 4.320 0.002 0.000 0.203 846 A C 0.072 177.552 177.584 -0.174 0.000 0.960 846 A CA -0.263 51.561 52.037 -0.354 0.000 1.113 846 A CB 0.121 18.736 19.000 -0.642 0.000 1.280 846 A HN 0.036 nan 8.150 nan 0.000 0.573 847 S N 1.887 117.535 115.700 -0.086 0.000 2.422 847 S HA 0.507 4.978 4.470 0.002 0.000 0.283 847 S C 0.854 175.399 174.600 -0.092 0.000 1.163 847 S CA 0.154 58.322 58.200 -0.052 0.000 1.054 847 S CB 0.659 63.872 63.200 0.022 0.000 0.967 847 S HN 1.107 nan 8.310 nan 0.000 0.499 848 A N 5.438 128.140 122.820 -0.197 0.000 2.561 848 A HA 0.269 4.590 4.320 0.002 0.000 0.234 848 A C -1.093 176.466 177.584 -0.042 0.000 1.055 848 A CA -0.671 51.183 52.037 -0.305 0.000 0.756 848 A CB -0.097 18.648 19.000 -0.426 0.000 0.986 848 A HN 0.631 nan 8.150 nan 0.000 0.505 849 P HA 0.127 nan 4.420 nan 0.000 0.266 849 P C -0.065 177.376 177.300 0.234 0.000 1.561 849 P CA 0.026 63.235 63.100 0.182 0.000 1.089 849 P CB 0.307 32.229 31.700 0.370 0.000 1.534 850 S N 1.475 117.256 115.700 0.135 0.000 2.399 850 S HA 0.460 4.931 4.470 0.002 0.000 0.301 850 S C 0.107 174.773 174.600 0.111 0.000 1.093 850 S CA -0.529 57.777 58.200 0.177 0.000 1.077 850 S CB -0.327 62.974 63.200 0.168 0.000 0.980 850 S HN -0.087 nan 8.310 nan 0.000 0.494 851 M N 8.108 127.801 119.600 0.154 0.000 2.036 851 M HA 0.320 4.801 4.480 0.002 0.000 0.337 851 M C -1.855 174.484 176.300 0.064 0.000 1.012 851 M CA -2.730 52.621 55.300 0.085 0.000 0.962 851 M CB 1.053 33.734 32.600 0.135 0.000 1.423 851 M HN 0.388 nan 8.290 nan 0.000 0.405 852 P HA -0.098 nan 4.420 nan 0.000 0.220 852 P C 0.012 177.194 177.300 -0.196 0.000 1.152 852 P CA 0.964 64.000 63.100 -0.107 0.000 0.812 852 P CB 0.094 31.710 31.700 -0.140 0.000 0.792 853 Y N 2.112 122.357 120.300 -0.093 0.000 2.511 853 Y HA 0.075 4.626 4.550 0.002 0.000 0.332 853 Y C 1.615 177.472 175.900 -0.071 0.000 1.177 853 Y CA 0.392 58.445 58.100 -0.079 0.000 1.422 853 Y CB 0.376 38.783 38.460 -0.089 0.000 1.271 853 Y HN 0.039 nan 8.280 nan 0.000 0.550 854 K N -0.535 119.900 120.400 0.059 0.000 2.439 854 K HA 0.738 5.059 4.320 0.002 0.000 0.260 854 K C -1.012 175.598 176.600 0.016 0.000 1.032 854 K CA -1.097 55.196 56.287 0.010 0.000 0.882 854 K CB 1.469 33.928 32.500 -0.068 0.000 1.420 854 K HN 0.502 nan 8.250 nan 0.000 0.455 855 T N -1.065 113.490 114.554 0.001 0.000 2.934 855 T HA 0.290 4.641 4.350 0.002 0.000 0.283 855 T C 0.186 174.877 174.700 -0.015 0.000 1.005 855 T CA -0.821 61.278 62.100 -0.003 0.000 1.041 855 T CB 0.700 69.567 68.868 -0.002 0.000 1.042 855 T HN 0.738 nan 8.240 nan 0.000 0.505 856 N N 0.614 119.306 118.700 -0.014 0.000 2.374 856 N HA 0.160 4.901 4.740 0.002 0.000 0.284 856 N C 1.334 176.837 175.510 -0.013 0.000 1.280 856 N CA -1.009 52.031 53.050 -0.018 0.000 0.963 856 N CB 0.242 38.721 38.487 -0.014 0.000 1.141 856 N HN 0.822 nan 8.380 nan 0.000 0.565 857 R N -0.890 119.602 120.500 -0.013 0.000 2.241 857 R HA 0.007 4.348 4.340 0.002 0.000 0.224 857 R C 0.817 177.113 176.300 -0.006 0.000 1.101 857 R CA 1.145 57.240 56.100 -0.009 0.000 0.995 857 R CB -0.785 29.508 30.300 -0.012 0.000 0.870 857 R HN 0.516 nan 8.270 nan 0.000 0.463 858 L N 0.604 121.824 121.223 -0.006 0.000 2.628 858 L HA 0.318 4.659 4.340 0.002 0.000 0.229 858 L C 0.824 177.690 176.870 -0.007 0.000 1.137 858 L CA 0.328 55.165 54.840 -0.005 0.000 0.909 858 L CB 0.474 42.532 42.059 -0.002 0.000 1.137 858 L HN 0.570 nan 8.230 nan 0.000 0.470 859 G N 0.140 108.935 108.800 -0.007 0.000 2.148 859 G HA2 -0.277 3.684 3.960 0.002 0.000 0.254 859 G HA3 -0.277 3.684 3.960 0.002 0.000 0.254 859 G C 0.147 175.037 174.900 -0.016 0.000 0.981 859 G CA -0.022 45.072 45.100 -0.009 0.000 0.670 859 G HN 0.473 nan 8.290 nan 0.000 0.528 860 Q N -0.412 119.379 119.800 -0.015 0.000 2.222 860 Q HA 0.654 4.995 4.340 0.002 0.000 0.252 860 Q C 0.436 176.425 176.000 -0.018 0.000 0.926 860 Q CA -0.024 55.766 55.803 -0.022 0.000 0.899 860 Q CB 2.075 30.805 28.738 -0.014 0.000 1.250 860 Q HN 0.838 nan 8.270 nan 0.000 0.441 861 G N 1.235 110.018 108.800 -0.029 0.000 2.523 861 G HA2 0.392 4.353 3.960 0.002 0.000 0.291 861 G HA3 0.392 4.353 3.960 0.002 0.000 0.291 861 G C -3.090 171.788 174.900 -0.036 0.000 1.450 861 G CA -1.063 44.032 45.100 -0.009 0.000 0.790 861 G HN 0.295 nan 8.290 nan 0.000 0.496 862 P HA 0.389 nan 4.420 nan 0.000 0.263 862 P C -0.058 177.183 177.300 -0.098 0.000 1.195 862 P CA 0.221 63.285 63.100 -0.059 0.000 0.762 862 P CB 1.006 32.700 31.700 -0.010 0.000 0.799 863 A N 4.184 126.886 122.820 -0.196 0.000 2.376 863 A HA 0.248 4.569 4.320 0.002 0.000 0.298 863 A C -0.833 176.718 177.584 -0.056 0.000 1.271 863 A CA -0.390 51.549 52.037 -0.164 0.000 0.926 863 A CB -0.522 18.238 19.000 -0.399 0.000 1.141 863 A HN 0.624 nan 8.150 nan 0.000 0.539 864 W N 2.705 123.881 121.300 -0.207 0.000 2.469 864 W HA 0.585 5.246 4.660 0.001 0.000 0.320 864 W C 0.265 176.736 176.519 -0.081 0.000 1.086 864 W CA 0.267 57.468 57.345 -0.240 0.000 1.211 864 W CB 1.822 31.032 29.460 -0.417 0.000 1.298 864 W HN 0.865 nan 8.180 nan 0.000 0.525 865 G N 3.677 112.208 108.800 -0.449 0.000 2.753 865 G HA2 0.276 4.237 3.960 0.002 0.000 0.297 865 G HA3 0.276 4.237 3.960 0.002 0.000 0.297 865 G C -2.168 172.388 174.900 -0.574 0.000 1.430 865 G CA -0.990 43.983 45.100 -0.211 0.000 1.040 865 G HN 0.448 nan 8.290 nan 0.000 0.530 866 N N 0.923 119.408 118.700 -0.358 0.000 2.443 866 N HA 0.477 5.218 4.740 0.002 0.000 0.269 866 N C 0.717 176.054 175.510 -0.288 0.000 0.985 866 N CA -0.159 52.688 53.050 -0.340 0.000 0.921 866 N CB 2.287 40.710 38.487 -0.106 0.000 1.195 866 N HN 0.316 nan 8.380 nan 0.000 0.492 867 S N 3.421 118.791 115.700 -0.551 0.000 2.291 867 S HA 0.473 4.944 4.470 0.002 0.000 0.185 867 S C 0.295 174.710 174.600 -0.309 0.000 0.996 867 S CA 0.304 58.091 58.200 -0.687 0.000 0.997 867 S CB -0.168 62.283 63.200 -1.249 0.000 0.899 867 S HN 0.497 nan 8.310 nan 0.000 0.493 868 L N -0.902 120.184 121.223 -0.228 0.000 2.194 868 L HA 0.491 4.832 4.340 0.002 0.000 0.248 868 L C 0.466 177.377 176.870 0.069 0.000 1.071 868 L CA -0.713 54.094 54.840 -0.054 0.000 0.901 868 L CB 0.698 42.738 42.059 -0.031 0.000 1.497 868 L HN 0.365 nan 8.230 nan 0.000 0.442 869 F N 1.332 121.266 119.950 -0.027 0.000 2.187 869 F HA -0.073 4.455 4.527 0.001 0.000 0.295 869 F C 2.269 178.168 175.800 0.165 0.000 1.091 869 F CA 1.583 59.606 58.000 0.038 0.000 1.308 869 F CB -0.042 38.992 39.000 0.056 0.000 1.030 869 F HN 0.634 nan 8.300 nan 0.000 0.487 870 E N 0.045 120.287 120.200 0.069 0.000 2.371 870 E HA -0.126 4.225 4.350 0.002 0.000 0.194 870 E C 0.474 177.140 176.600 0.109 0.000 1.012 870 E CA 1.208 57.600 56.400 -0.012 0.000 0.860 870 E CB -0.738 28.931 29.700 -0.051 0.000 0.811 870 E HN 0.566 nan 8.360 nan 0.000 0.502 871 D N 0.281 120.745 120.400 0.107 0.000 2.462 871 D HA 0.270 4.910 4.640 0.002 0.000 0.221 871 D C 1.395 177.797 176.300 0.170 0.000 1.173 871 D CA 0.354 54.426 54.000 0.120 0.000 0.831 871 D CB 0.483 41.301 40.800 0.031 0.000 1.001 871 D HN 0.118 nan 8.370 nan 0.000 0.499 872 A N 1.263 124.177 122.820 0.157 0.000 1.884 872 A HA -0.075 4.246 4.320 0.002 0.000 0.219 872 A C 2.407 180.102 177.584 0.185 0.000 1.197 872 A CA 2.510 54.547 52.037 -0.000 0.000 0.637 872 A CB -1.009 17.589 19.000 -0.670 0.000 0.827 872 A HN 0.402 nan 8.150 nan 0.000 0.450 873 A N -0.385 122.692 122.820 0.429 0.000 1.877 873 A HA -0.164 4.157 4.320 0.002 0.000 0.216 873 A C 1.880 179.615 177.584 0.251 0.000 1.186 873 A CA 1.981 54.241 52.037 0.370 0.000 0.620 873 A CB -0.606 18.634 19.000 0.400 0.000 0.822 873 A HN 0.571 nan 8.150 nan 0.000 0.443 874 E N -1.459 118.875 120.200 0.224 0.000 2.110 874 E HA -0.183 4.168 4.350 0.002 0.000 0.193 874 E C 1.816 178.584 176.600 0.280 0.000 0.988 874 E CA 1.381 57.911 56.400 0.218 0.000 0.804 874 E CB -0.424 29.361 29.700 0.142 0.000 0.745 874 E HN 0.734 nan 8.360 nan 0.000 0.458 875 Y N 1.036 121.382 120.300 0.077 0.000 2.145 875 Y HA -0.124 4.427 4.550 0.001 0.000 0.286 875 Y C 2.336 178.239 175.900 0.004 0.000 1.145 875 Y CA 1.774 59.885 58.100 0.018 0.000 1.148 875 Y CB -0.857 37.580 38.460 -0.038 0.000 0.981 875 Y HN 0.039 nan 8.280 nan 0.000 0.507 876 G N -0.813 107.990 108.800 0.005 0.000 2.422 876 G HA2 -0.323 3.638 3.960 0.002 0.000 0.218 876 G HA3 -0.323 3.638 3.960 0.002 0.000 0.218 876 G C 1.702 176.569 174.900 -0.055 0.000 1.146 876 G CA 0.760 45.787 45.100 -0.121 0.000 0.769 876 G HN 0.478 nan 8.290 nan 0.000 0.547 877 F N 2.495 122.403 119.950 -0.071 0.000 2.161 877 F HA 0.009 4.537 4.527 0.001 0.000 0.300 877 F C 2.530 178.275 175.800 -0.092 0.000 1.089 877 F CA 1.451 59.410 58.000 -0.067 0.000 1.282 877 F CB -0.437 38.556 39.000 -0.011 0.000 1.010 877 F HN 0.112 nan 8.300 nan 0.000 0.485 878 G N 0.084 108.856 108.800 -0.047 0.000 2.408 878 G HA2 -0.246 3.715 3.960 0.002 0.000 0.217 878 G HA3 -0.246 3.715 3.960 0.002 0.000 0.217 878 G C 1.677 176.425 174.900 -0.253 0.000 1.150 878 G CA 0.926 45.945 45.100 -0.136 0.000 0.776 878 G HN 0.385 nan 8.290 nan 0.000 0.542 879 M N 0.630 120.035 119.600 -0.326 0.000 2.117 879 M HA -0.079 4.402 4.480 0.002 0.000 0.262 879 M C 2.406 178.420 176.300 -0.477 0.000 1.065 879 M CA 1.725 56.744 55.300 -0.468 0.000 1.114 879 M CB -0.389 31.835 32.600 -0.628 0.000 1.361 879 M HN 0.371 nan 8.290 nan 0.000 0.408 880 N N 0.727 119.177 118.700 -0.418 0.000 2.120 880 N HA -0.140 4.601 4.740 0.002 0.000 0.188 880 N C 1.573 176.893 175.510 -0.317 0.000 1.024 880 N CA 1.663 54.495 53.050 -0.363 0.000 0.852 880 N CB -0.103 38.174 38.487 -0.350 0.000 1.003 880 N HN 0.265 nan 8.380 nan 0.000 0.424 881 M N -0.476 118.878 119.600 -0.410 0.000 2.117 881 M HA -0.133 4.348 4.480 0.002 0.000 0.262 881 M C 2.399 178.637 176.300 -0.103 0.000 1.065 881 M CA 1.471 56.602 55.300 -0.283 0.000 1.114 881 M CB -0.445 31.954 32.600 -0.335 0.000 1.361 881 M HN 0.295 nan 8.290 nan 0.000 0.408 882 S N 0.352 115.964 115.700 -0.148 0.000 2.356 882 S HA -0.152 4.319 4.470 0.002 0.000 0.223 882 S C 1.978 176.539 174.600 -0.066 0.000 1.032 882 S CA 1.223 59.367 58.200 -0.095 0.000 1.005 882 S CB -0.013 63.112 63.200 -0.125 0.000 0.867 882 S HN 0.304 nan 8.310 nan 0.000 0.449 883 M N 0.278 119.810 119.600 -0.114 0.000 2.117 883 M HA -0.016 4.465 4.480 0.002 0.000 0.262 883 M C 1.986 178.291 176.300 0.009 0.000 1.065 883 M CA 1.299 56.567 55.300 -0.052 0.000 1.114 883 M CB -1.597 30.946 32.600 -0.095 0.000 1.361 883 M HN 0.533 nan 8.290 nan 0.000 0.408 884 F N 1.128 121.013 119.950 -0.108 0.000 2.102 884 F HA -0.133 4.395 4.527 0.002 0.000 0.298 884 F C 2.351 178.130 175.800 -0.034 0.000 1.105 884 F CA 1.797 59.750 58.000 -0.077 0.000 1.239 884 F CB -0.449 38.478 39.000 -0.123 0.000 0.991 884 F HN 0.117 nan 8.300 nan 0.000 0.474 885 A N 0.699 123.500 122.820 -0.031 0.000 1.877 885 A HA -0.174 4.147 4.320 0.002 0.000 0.216 885 A C 2.328 179.862 177.584 -0.083 0.000 1.186 885 A CA 1.803 53.788 52.037 -0.086 0.000 0.620 885 A CB -0.716 18.296 19.000 0.018 0.000 0.822 885 A HN 0.474 nan 8.150 nan 0.000 0.443 886 R N -0.800 119.687 120.500 -0.022 0.000 2.090 886 R HA -0.011 4.330 4.340 0.002 0.000 0.228 886 R C 2.350 178.672 176.300 0.037 0.000 1.110 886 R CA 1.306 57.431 56.100 0.041 0.000 0.973 886 R CB -0.242 30.080 30.300 0.037 0.000 0.869 886 R HN 0.466 nan 8.270 nan 0.000 0.440 887 R N -0.324 120.178 120.500 0.005 0.000 2.153 887 R HA 0.011 4.352 4.340 0.002 0.000 0.218 887 R C 1.965 178.292 176.300 0.045 0.000 1.072 887 R CA 1.218 57.369 56.100 0.085 0.000 0.990 887 R CB -0.125 30.250 30.300 0.124 0.000 0.889 887 R HN 0.138 nan 8.270 nan 0.000 0.452 888 T N -0.165 114.295 114.554 -0.157 0.000 2.777 888 T HA -0.177 4.174 4.350 0.002 0.000 0.266 888 T C 1.587 176.286 174.700 -0.003 0.000 1.040 888 T CA 1.214 63.192 62.100 -0.203 0.000 1.141 888 T CB -0.254 68.321 68.868 -0.489 0.000 0.868 888 T HN 0.465 nan 8.240 nan 0.000 0.444 889 H N 0.213 119.225 119.070 -0.095 0.000 2.319 889 H HA -0.086 4.471 4.556 0.002 0.000 0.299 889 H C 2.369 177.684 175.328 -0.021 0.000 1.092 889 H CA 1.197 57.214 56.048 -0.052 0.000 1.302 889 H CB -0.129 29.604 29.762 -0.048 0.000 1.373 889 H HN 0.174 nan 8.280 nan 0.000 0.497 890 L N 1.221 122.443 121.223 -0.001 0.000 2.012 890 L HA -0.120 4.221 4.340 0.002 0.000 0.210 890 L C 2.587 179.465 176.870 0.013 0.000 1.073 890 L CA 2.051 56.832 54.840 -0.097 0.000 0.748 890 L CB -1.117 40.881 42.059 -0.101 0.000 0.891 890 L HN 0.361 nan 8.230 nan 0.000 0.431 891 A N -0.876 122.066 122.820 0.204 0.000 1.972 891 A HA -0.278 4.043 4.320 0.002 0.000 0.219 891 A C 2.061 179.725 177.584 0.132 0.000 1.169 891 A CA 1.841 54.060 52.037 0.303 0.000 0.635 891 A CB -1.014 18.128 19.000 0.237 0.000 0.810 891 A HN 0.634 nan 8.150 nan 0.000 0.446 892 D N -0.183 120.271 120.400 0.090 0.000 2.117 892 D HA -0.113 4.528 4.640 0.002 0.000 0.198 892 D C 1.819 178.152 176.300 0.055 0.000 0.982 892 D CA 1.264 55.305 54.000 0.069 0.000 0.828 892 D CB -0.202 40.650 40.800 0.087 0.000 0.967 892 D HN 0.424 nan 8.370 nan 0.000 0.464 893 L N 0.051 121.299 121.223 0.041 0.000 2.046 893 L HA -0.085 4.256 4.340 0.002 0.000 0.208 893 L C 2.655 179.516 176.870 -0.015 0.000 1.077 893 L CA 1.114 55.952 54.840 -0.003 0.000 0.747 893 L CB -0.607 41.408 42.059 -0.073 0.000 0.896 893 L HN 0.083 nan 8.230 nan 0.000 0.432 894 A N 0.182 122.993 122.820 -0.014 0.000 1.877 894 A HA -0.192 4.129 4.320 0.002 0.000 0.216 894 A C 2.551 180.147 177.584 0.020 0.000 1.186 894 A CA 1.843 53.875 52.037 -0.007 0.000 0.620 894 A CB -0.756 18.270 19.000 0.042 0.000 0.822 894 A HN 0.400 nan 8.150 nan 0.000 0.443 895 A N -0.286 122.557 122.820 0.039 0.000 1.902 895 A HA -0.188 4.133 4.320 0.002 0.000 0.217 895 A C 2.149 179.741 177.584 0.012 0.000 1.181 895 A CA 2.059 54.111 52.037 0.026 0.000 0.623 895 A CB -0.477 18.539 19.000 0.027 0.000 0.818 895 A HN 0.565 nan 8.150 nan 0.000 0.443 896 K N -0.317 120.090 120.400 0.012 0.000 2.097 896 K HA -0.064 4.257 4.320 0.002 0.000 0.206 896 K C 2.020 178.620 176.600 0.000 0.000 1.049 896 K CA 1.155 57.446 56.287 0.007 0.000 0.933 896 K CB -0.303 32.203 32.500 0.010 0.000 0.717 896 K HN 0.369 nan 8.250 nan 0.000 0.442 897 A N 1.016 123.832 122.820 -0.005 0.000 2.067 897 A HA -0.055 4.266 4.320 0.002 0.000 0.219 897 A C 1.915 179.494 177.584 -0.008 0.000 1.158 897 A CA 0.872 52.902 52.037 -0.011 0.000 0.661 897 A CB -0.406 18.580 19.000 -0.023 0.000 0.801 897 A HN 0.323 nan 8.150 nan 0.000 0.452 898 L N -0.762 120.459 121.223 -0.004 0.000 2.456 898 L HA -0.098 4.243 4.340 0.002 0.000 0.224 898 L C 1.674 178.543 176.870 -0.003 0.000 1.148 898 L CA 0.908 55.746 54.840 -0.003 0.000 0.825 898 L CB -0.258 41.800 42.059 -0.002 0.000 0.937 898 L HN 0.459 nan 8.230 nan 0.000 0.450 899 E N -0.838 119.360 120.200 -0.002 0.000 2.476 899 E HA 0.039 4.390 4.350 0.002 0.000 0.196 899 E C 0.860 177.458 176.600 -0.002 0.000 1.029 899 E CA -0.107 56.292 56.400 -0.002 0.000 0.896 899 E CB 0.505 30.205 29.700 -0.001 0.000 1.012 899 E HN 0.413 nan 8.360 nan 0.000 0.475 900 S N 0.855 116.553 115.700 -0.004 0.000 2.690 900 S HA 0.092 4.563 4.470 0.002 0.000 0.285 900 S C 0.627 175.225 174.600 -0.004 0.000 1.135 900 S CA -0.620 57.578 58.200 -0.004 0.000 1.020 900 S CB 0.855 64.052 63.200 -0.006 0.000 1.159 900 S HN 0.061 nan 8.310 nan 0.000 0.534 901 D N -0.018 120.380 120.400 -0.004 0.000 2.434 901 D HA 0.333 4.973 4.640 0.002 0.000 0.232 901 D C 0.627 176.925 176.300 -0.003 0.000 1.166 901 D CA -0.333 53.665 54.000 -0.003 0.000 0.830 901 D CB -0.804 39.995 40.800 -0.002 0.000 0.960 901 D HN 0.698 nan 8.370 nan 0.000 0.497 902 A N 0.772 123.589 122.820 -0.004 0.000 2.507 902 A HA 0.388 4.709 4.320 0.002 0.000 0.235 902 A C 0.979 178.562 177.584 -0.002 0.000 1.070 902 A CA -0.070 51.964 52.037 -0.005 0.000 0.768 902 A CB 0.093 19.088 19.000 -0.008 0.000 1.011 902 A HN 0.451 nan 8.150 nan 0.000 0.502 903 S N 1.205 116.905 115.700 -0.001 0.000 2.580 903 S HA 0.305 4.776 4.470 0.002 0.000 0.266 903 S C 1.404 176.007 174.600 0.005 0.000 1.354 903 S CA -0.075 58.126 58.200 0.002 0.000 1.008 903 S CB 0.620 63.821 63.200 0.003 0.000 0.898 903 S HN 1.460 nan 8.310 nan 0.000 0.555 904 G N 0.601 109.405 108.800 0.007 0.000 2.422 904 G HA2 -0.172 3.789 3.960 0.002 0.000 0.218 904 G HA3 -0.172 3.789 3.960 0.002 0.000 0.218 904 G C 0.933 175.843 174.900 0.016 0.000 1.146 904 G CA 0.823 45.929 45.100 0.010 0.000 0.769 904 G HN 0.758 nan 8.290 nan 0.000 0.547 905 D N 0.221 120.631 120.400 0.017 0.000 2.097 905 D HA -0.092 4.549 4.640 0.002 0.000 0.195 905 D C 2.794 179.111 176.300 0.027 0.000 0.989 905 D CA 0.752 54.766 54.000 0.024 0.000 0.827 905 D CB -0.507 40.304 40.800 0.018 0.000 0.966 905 D HN 0.187 nan 8.370 nan 0.000 0.456 906 V N 1.154 121.077 119.914 0.015 0.000 2.295 906 V HA -0.247 3.874 4.120 0.002 0.000 0.246 906 V C 2.331 178.430 176.094 0.008 0.000 1.049 906 V CA 1.623 63.927 62.300 0.007 0.000 1.024 906 V CB -0.359 31.461 31.823 -0.004 0.000 0.648 906 V HN 0.200 nan 8.190 nan 0.000 0.447 907 K N -0.300 120.105 120.400 0.008 0.000 2.103 907 K HA -0.249 4.072 4.320 0.002 0.000 0.207 907 K C 2.226 178.833 176.600 0.013 0.000 1.048 907 K CA 1.746 58.036 56.287 0.005 0.000 0.930 907 K CB -0.184 32.317 32.500 0.003 0.000 0.716 907 K HN 0.586 nan 8.250 nan 0.000 0.444 908 E N 0.819 121.036 120.200 0.029 0.000 2.051 908 E HA -0.191 4.160 4.350 0.002 0.000 0.192 908 E C 1.994 178.642 176.600 0.080 0.000 0.991 908 E CA 1.049 57.478 56.400 0.048 0.000 0.799 908 E CB -0.040 29.704 29.700 0.072 0.000 0.748 908 E HN 0.296 nan 8.360 nan 0.000 0.449 909 A N 1.148 124.041 122.820 0.122 0.000 1.908 909 A HA -0.165 4.156 4.320 0.002 0.000 0.218 909 A C 2.227 179.877 177.584 0.110 0.000 1.181 909 A CA 1.230 53.397 52.037 0.216 0.000 0.627 909 A CB -0.691 18.387 19.000 0.129 0.000 0.818 909 A HN 0.319 nan 8.150 nan 0.000 0.445 910 L N -0.910 120.333 121.223 0.033 0.000 2.083 910 L HA -0.251 4.090 4.340 0.002 0.000 0.209 910 L C 2.908 179.795 176.870 0.028 0.000 1.083 910 L CA 1.557 56.412 54.840 0.025 0.000 0.752 910 L CB -0.591 41.465 42.059 -0.005 0.000 0.899 910 L HN 0.505 nan 8.230 nan 0.000 0.433 911 Q N -0.371 119.407 119.800 -0.036 0.000 2.079 911 Q HA -0.129 4.212 4.340 0.002 0.000 0.200 911 Q C 2.332 178.191 176.000 -0.234 0.000 0.974 911 Q CA 1.385 57.133 55.803 -0.091 0.000 0.840 911 Q CB -0.393 28.298 28.738 -0.079 0.000 0.898 911 Q HN 0.603 nan 8.270 nan 0.000 0.430 912 G N 0.329 108.867 108.800 -0.437 0.000 2.421 912 G HA2 -0.279 3.682 3.960 0.002 0.000 0.216 912 G HA3 -0.279 3.682 3.960 0.002 0.000 0.216 912 G C 0.991 175.416 174.900 -0.791 0.000 1.171 912 G CA 0.617 45.004 45.100 -1.189 0.000 0.775 912 G HN 0.456 nan 8.290 nan 0.000 0.543 913 W N 1.176 122.201 121.300 -0.458 0.000 2.355 913 W HA 0.016 4.677 4.660 0.002 0.000 0.309 913 W C 2.360 178.778 176.519 -0.170 0.000 1.206 913 W CA 1.236 58.463 57.345 -0.197 0.000 1.284 913 W CB -0.344 29.020 29.460 -0.161 0.000 1.145 913 W HN 0.121 nan 8.180 nan 0.000 0.502 914 L N 0.419 121.590 121.223 -0.087 0.000 2.079 914 L HA -0.217 4.124 4.340 0.002 0.000 0.210 914 L C 2.641 179.318 176.870 -0.322 0.000 1.081 914 L CA 1.475 56.184 54.840 -0.218 0.000 0.752 914 L CB -1.156 40.893 42.059 -0.017 0.000 0.896 914 L HN 0.125 nan 8.230 nan 0.000 0.433 915 A N -0.565 122.083 122.820 -0.286 0.000 1.968 915 A HA 0.016 4.337 4.320 0.002 0.000 0.217 915 A C 1.912 179.341 177.584 -0.258 0.000 1.169 915 A CA 1.440 53.331 52.037 -0.243 0.000 0.638 915 A CB -0.507 18.363 19.000 -0.218 0.000 0.812 915 A HN 0.421 nan 8.150 nan 0.000 0.446 916 G N -0.175 108.430 108.800 -0.324 0.000 3.993 916 G HA2 0.261 4.222 3.960 0.002 0.000 0.294 916 G HA3 0.261 4.222 3.960 0.002 0.000 0.294 916 G C 0.921 175.594 174.900 -0.378 0.000 1.043 916 G CA 0.451 45.398 45.100 -0.255 0.000 0.839 916 G HN 0.623 nan 8.290 nan 0.000 0.516 917 K N -0.273 119.730 120.400 -0.660 0.000 2.211 917 K HA -0.042 4.279 4.320 0.002 0.000 0.204 917 K C 0.987 177.342 176.600 -0.409 0.000 1.047 917 K CA 1.043 56.769 56.287 -0.935 0.000 0.935 917 K CB 0.027 31.672 32.500 -1.424 0.000 0.728 917 K HN 0.075 nan 8.250 nan 0.000 0.452 918 N N 1.073 119.615 118.700 -0.263 0.000 2.230 918 N HA -0.001 4.740 4.740 0.002 0.000 0.202 918 N C -0.939 174.523 175.510 -0.081 0.000 1.119 918 N CA 0.153 53.123 53.050 -0.132 0.000 0.851 918 N CB 0.424 38.843 38.487 -0.113 0.000 0.990 918 N HN 0.311 nan 8.380 nan 0.000 0.497 919 D N 0.954 121.304 120.400 -0.082 0.000 2.329 919 D HA 0.199 4.840 4.640 0.002 0.000 0.232 919 D C -1.816 174.496 176.300 0.021 0.000 1.088 919 D CA -1.964 52.020 54.000 -0.026 0.000 0.835 919 D CB 2.429 43.212 40.800 -0.028 0.000 1.078 919 D HN -0.110 nan 8.370 nan 0.000 0.495 920 P HA -0.167 nan 4.420 nan 0.000 0.217 920 P C 1.589 178.948 177.300 0.097 0.000 1.151 920 P CA 0.823 63.978 63.100 0.092 0.000 0.849 920 P CB 0.429 32.199 31.700 0.116 0.000 0.787 921 I N -0.997 119.622 120.570 0.082 0.000 2.206 921 I HA -0.131 4.040 4.170 0.002 0.000 0.239 921 I C 2.047 178.222 176.117 0.096 0.000 1.078 921 I CA 1.548 62.896 61.300 0.081 0.000 1.367 921 I CB -1.368 36.672 38.000 0.067 0.000 1.078 921 I HN -0.049 nan 8.210 nan 0.000 0.413 922 K N 1.334 121.796 120.400 0.103 0.000 2.057 922 K HA -0.110 4.211 4.320 0.002 0.000 0.207 922 K C 2.232 178.971 176.600 0.231 0.000 1.049 922 K CA 1.690 58.086 56.287 0.182 0.000 0.931 922 K CB -0.702 31.881 32.500 0.137 0.000 0.714 922 K HN 0.466 nan 8.250 nan 0.000 0.440 923 S N 1.177 116.950 115.700 0.122 0.000 2.370 923 S HA -0.175 4.296 4.470 0.002 0.000 0.226 923 S C 2.125 176.914 174.600 0.316 0.000 1.033 923 S CA 1.417 59.717 58.200 0.167 0.000 1.011 923 S CB -0.160 63.097 63.200 0.096 0.000 0.852 923 S HN 0.303 nan 8.310 nan 0.000 0.457 924 K N 1.281 121.811 120.400 0.217 0.000 2.062 924 K HA -0.080 4.241 4.320 0.002 0.000 0.205 924 K C 2.414 179.099 176.600 0.141 0.000 1.051 924 K CA 1.271 57.672 56.287 0.190 0.000 0.941 924 K CB -0.283 32.297 32.500 0.133 0.000 0.719 924 K HN 0.595 nan 8.250 nan 0.000 0.440 925 E N -0.353 119.900 120.200 0.088 0.000 2.033 925 E HA -0.244 4.107 4.350 0.002 0.000 0.199 925 E C 1.760 178.276 176.600 -0.140 0.000 1.011 925 E CA 1.793 58.153 56.400 -0.066 0.000 0.815 925 E CB -0.177 29.424 29.700 -0.165 0.000 0.755 925 E HN 0.421 nan 8.360 nan 0.000 0.451 926 Y N -0.338 120.018 120.300 0.094 0.000 2.395 926 Y HA 0.049 4.600 4.550 0.002 0.000 0.293 926 Y C 2.354 178.277 175.900 0.039 0.000 1.123 926 Y CA 0.862 59.010 58.100 0.081 0.000 1.227 926 Y CB -0.475 38.055 38.460 0.117 0.000 1.012 926 Y HN 0.185 nan 8.280 nan 0.000 0.552 927 G N 0.026 108.967 108.800 0.233 0.000 2.418 927 G HA2 -0.243 3.718 3.960 0.002 0.000 0.217 927 G HA3 -0.243 3.718 3.960 0.002 0.000 0.217 927 G C 1.207 176.206 174.900 0.165 0.000 1.158 927 G CA 1.344 46.487 45.100 0.072 0.000 0.771 927 G HN 0.261 nan 8.290 nan 0.000 0.545 928 D N 0.539 121.025 120.400 0.144 0.000 2.178 928 D HA -0.034 4.607 4.640 0.002 0.000 0.201 928 D C 2.447 178.780 176.300 0.055 0.000 0.980 928 D CA 0.747 54.808 54.000 0.101 0.000 0.842 928 D CB -0.090 40.744 40.800 0.056 0.000 0.948 928 D HN 0.319 nan 8.370 nan 0.000 0.472 929 K N 0.124 120.535 120.400 0.017 0.000 2.057 929 K HA -0.008 4.313 4.320 0.002 0.000 0.206 929 K C 2.273 178.882 176.600 0.015 0.000 1.050 929 K CA 0.471 56.758 56.287 0.001 0.000 0.935 929 K CB -0.098 32.391 32.500 -0.019 0.000 0.715 929 K HN 0.136 nan 8.250 nan 0.000 0.439 930 L N 1.186 122.404 121.223 -0.010 0.000 2.083 930 L HA -0.210 4.131 4.340 0.002 0.000 0.209 930 L C 2.252 179.168 176.870 0.077 0.000 1.083 930 L CA 1.354 56.170 54.840 -0.040 0.000 0.752 930 L CB -0.293 41.582 42.059 -0.307 0.000 0.899 930 L HN 0.139 nan 8.230 nan 0.000 0.433 931 K N 0.079 120.575 120.400 0.160 0.000 2.032 931 K HA -0.204 4.116 4.320 0.002 0.000 0.209 931 K C 2.155 178.792 176.600 0.062 0.000 1.048 931 K CA 1.494 57.865 56.287 0.140 0.000 0.927 931 K CB -0.055 32.518 32.500 0.122 0.000 0.712 931 K HN 0.257 nan 8.250 nan 0.000 0.441 932 K N 0.637 121.063 120.400 0.043 0.000 2.031 932 K HA -0.039 4.282 4.320 0.002 0.000 0.205 932 K C 2.153 178.763 176.600 0.017 0.000 1.049 932 K CA 0.977 57.278 56.287 0.022 0.000 0.939 932 K CB -0.096 32.413 32.500 0.014 0.000 0.717 932 K HN 0.052 nan 8.250 nan 0.000 0.438 933 L N 0.891 122.124 121.223 0.017 0.000 2.083 933 L HA -0.157 4.184 4.340 0.002 0.000 0.209 933 L C 1.940 178.815 176.870 0.008 0.000 1.083 933 L CA 1.092 55.938 54.840 0.010 0.000 0.752 933 L CB -0.258 41.805 42.059 0.007 0.000 0.899 933 L HN 0.173 nan 8.230 nan 0.000 0.433 934 L N -0.267 120.965 121.223 0.015 0.000 2.611 934 L HA 0.233 4.574 4.340 0.002 0.000 0.229 934 L C 1.078 177.953 176.870 0.010 0.000 1.137 934 L CA -0.669 54.178 54.840 0.012 0.000 0.901 934 L CB -0.332 41.739 42.059 0.020 0.000 1.098 934 L HN 0.073 nan 8.230 nan 0.000 0.456 935 A N 0.427 123.253 122.820 0.010 0.000 2.548 935 A HA 0.375 4.696 4.320 0.002 0.000 0.247 935 A C 1.419 179.002 177.584 -0.002 0.000 1.067 935 A CA 0.955 52.994 52.037 0.003 0.000 0.757 935 A CB -0.208 18.794 19.000 0.004 0.000 0.996 935 A HN 0.607 nan 8.150 nan 0.000 0.504 936 G N 1.085 109.881 108.800 -0.006 0.000 2.317 936 G HA2 -0.216 3.745 3.960 0.002 0.000 0.227 936 G HA3 -0.216 3.745 3.960 0.002 0.000 0.227 936 G C 0.314 175.208 174.900 -0.009 0.000 1.042 936 G CA 0.155 45.250 45.100 -0.008 0.000 0.623 936 G HN 0.889 nan 8.290 nan 0.000 0.509 937 Q N 0.671 120.466 119.800 -0.008 0.000 2.283 937 Q HA 0.323 4.664 4.340 0.002 0.000 0.301 937 Q C 0.869 176.861 176.000 -0.014 0.000 1.063 937 Q CA 0.657 56.454 55.803 -0.010 0.000 0.952 937 Q CB 1.020 29.752 28.738 -0.010 0.000 1.166 937 Q HN 0.511 nan 8.270 nan 0.000 0.381 938 K N 1.316 121.708 120.400 -0.014 0.000 2.538 938 K HA 0.196 4.517 4.320 0.002 0.000 0.215 938 K C -0.490 176.101 176.600 -0.015 0.000 1.345 938 K CA 0.159 56.436 56.287 -0.016 0.000 0.985 938 K CB 0.903 33.395 32.500 -0.014 0.000 1.116 938 K HN 0.487 nan 8.250 nan 0.000 0.582 939 D N -0.145 120.247 120.400 -0.013 0.000 2.340 939 D HA 0.561 5.201 4.640 0.002 0.000 0.243 939 D C 0.532 176.824 176.300 -0.012 0.000 0.988 939 D CA 0.443 54.436 54.000 -0.011 0.000 0.959 939 D CB 1.408 42.203 40.800 -0.009 0.000 1.226 939 D HN 0.147 nan 8.370 nan 0.000 0.509 940 G N -0.286 108.508 108.800 -0.010 0.000 2.601 940 G HA2 -0.305 3.656 3.960 0.002 0.000 0.261 940 G HA3 -0.305 3.656 3.960 0.002 0.000 0.261 940 G C 0.617 175.508 174.900 -0.015 0.000 1.289 940 G CA 0.022 45.117 45.100 -0.010 0.000 0.920 940 G HN 0.466 nan 8.290 nan 0.000 0.571 941 L N 0.114 121.328 121.223 -0.015 0.000 2.017 941 L HA 0.115 4.456 4.340 0.002 0.000 0.208 941 L C 2.998 179.848 176.870 -0.032 0.000 1.073 941 L CA 2.403 57.230 54.840 -0.022 0.000 0.745 941 L CB -0.680 41.368 42.059 -0.018 0.000 0.894 941 L HN 0.567 nan 8.230 nan 0.000 0.432 942 L N -1.348 119.859 121.223 -0.027 0.000 2.127 942 L HA -0.152 4.188 4.340 0.002 0.000 0.211 942 L C 2.435 179.289 176.870 -0.027 0.000 1.089 942 L CA 1.140 55.963 54.840 -0.028 0.000 0.757 942 L CB -1.359 40.687 42.059 -0.020 0.000 0.899 942 L HN 0.439 nan 8.230 nan 0.000 0.434 943 G N -0.817 107.968 108.800 -0.026 0.000 2.402 943 G HA2 -0.214 3.747 3.960 0.002 0.000 0.216 943 G HA3 -0.214 3.747 3.960 0.002 0.000 0.216 943 G C 1.510 176.387 174.900 -0.039 0.000 1.162 943 G CA 0.188 45.272 45.100 -0.027 0.000 0.777 943 G HN 0.362 nan 8.290 nan 0.000 0.539 944 Q N -0.185 119.587 119.800 -0.046 0.000 2.050 944 Q HA -0.022 4.319 4.340 0.002 0.000 0.202 944 Q C 2.631 178.576 176.000 -0.092 0.000 0.980 944 Q CA 1.073 56.834 55.803 -0.070 0.000 0.840 944 Q CB -0.213 28.479 28.738 -0.076 0.000 0.898 944 Q HN 0.520 nan 8.270 nan 0.000 0.424 945 I N 0.635 121.157 120.570 -0.080 0.000 2.226 945 I HA -0.264 3.907 4.170 0.002 0.000 0.245 945 I C 2.423 178.540 176.117 0.000 0.000 1.100 945 I CA 0.929 62.188 61.300 -0.069 0.000 1.374 945 I CB -0.428 37.522 38.000 -0.083 0.000 1.057 945 I HN 0.150 nan 8.210 nan 0.000 0.413 946 A N 0.740 123.557 122.820 -0.005 0.000 1.972 946 A HA -0.105 4.215 4.320 0.002 0.000 0.219 946 A C 2.384 179.925 177.584 -0.072 0.000 1.169 946 A CA 1.714 53.755 52.037 0.006 0.000 0.635 946 A CB -0.652 18.344 19.000 -0.006 0.000 0.810 946 A HN 0.441 nan 8.150 nan 0.000 0.446 947 A N -1.302 121.467 122.820 -0.085 0.000 2.235 947 A HA 0.306 4.627 4.320 0.002 0.000 0.208 947 A C 1.563 179.053 177.584 -0.156 0.000 1.172 947 A CA 0.744 52.717 52.037 -0.107 0.000 0.786 947 A CB -0.454 18.499 19.000 -0.078 0.000 0.804 947 A HN 0.498 nan 8.150 nan 0.000 0.479 948 M N -0.083 119.397 119.600 -0.201 0.000 2.576 948 M HA 0.042 4.523 4.480 0.002 0.000 0.322 948 M C 1.615 177.583 176.300 -0.553 0.000 1.184 948 M CA 0.422 55.571 55.300 -0.252 0.000 0.967 948 M CB 0.351 32.847 32.600 -0.174 0.000 1.372 948 M HN 0.482 nan 8.290 nan 0.000 0.509 949 S N 0.447 115.664 115.700 -0.805 0.000 2.419 949 S HA -0.178 4.293 4.470 0.002 0.000 0.235 949 S C 1.302 175.412 174.600 -0.818 0.000 1.019 949 S CA 1.719 59.021 58.200 -1.498 0.000 0.982 949 S CB -0.511 62.197 63.200 -0.820 0.000 0.789 949 S HN 0.626 nan 8.310 nan 0.000 0.490 950 D N 1.144 121.303 120.400 -0.401 0.000 2.371 950 D HA 0.017 4.658 4.640 0.002 0.000 0.234 950 D C 1.260 177.505 176.300 -0.091 0.000 1.049 950 D CA 0.252 54.137 54.000 -0.192 0.000 0.907 950 D CB -0.438 40.292 40.800 -0.116 0.000 0.891 950 D HN 0.523 nan 8.370 nan 0.000 0.531 951 L N -1.327 119.821 121.223 -0.125 0.000 2.731 951 L HA 0.196 4.537 4.340 0.002 0.000 0.240 951 L C 1.704 178.733 176.870 0.266 0.000 1.120 951 L CA -0.340 54.540 54.840 0.066 0.000 0.913 951 L CB -0.106 41.978 42.059 0.041 0.000 1.213 951 L HN -0.022 nan 8.230 nan 0.000 0.515 952 Y N 0.812 121.144 120.300 0.055 0.000 2.070 952 Y HA -0.150 4.401 4.550 0.001 0.000 0.280 952 Y C 1.261 177.432 175.900 0.452 0.000 1.148 952 Y CA 0.374 58.572 58.100 0.164 0.000 1.125 952 Y CB -0.287 38.175 38.460 0.004 0.000 0.975 952 Y HN 0.037 nan 8.280 nan 0.000 0.492 953 T N 2.189 117.001 114.554 0.430 0.000 2.851 953 T HA 0.078 4.429 4.350 0.002 0.000 0.298 953 T C -0.110 174.742 174.700 0.254 0.000 0.977 953 T CA -0.662 61.626 62.100 0.312 0.000 1.126 953 T CB 0.975 69.970 68.868 0.212 0.000 0.916 953 T HN -0.015 nan 8.240 nan 0.000 0.529 954 K N 3.981 124.502 120.400 0.202 0.000 2.472 954 K HA 0.024 4.345 4.320 0.002 0.000 0.280 954 K C 0.118 176.814 176.600 0.159 0.000 1.028 954 K CA 0.446 56.821 56.287 0.147 0.000 1.045 954 K CB 0.291 32.839 32.500 0.080 0.000 0.902 954 K HN 0.243 nan 8.250 nan 0.000 0.478 955 K N 2.114 122.622 120.400 0.180 0.000 2.090 955 K HA 0.263 4.583 4.320 0.002 0.000 0.249 955 K C -0.493 176.223 176.600 0.194 0.000 0.995 955 K CA -0.582 55.843 56.287 0.230 0.000 0.914 955 K CB 1.694 34.437 32.500 0.405 0.000 1.057 955 K HN 0.545 nan 8.250 nan 0.000 0.462 956 S N 0.875 116.724 115.700 0.248 0.000 2.594 956 S HA 0.307 4.778 4.470 0.002 0.000 0.322 956 S C -0.868 173.924 174.600 0.320 0.000 1.085 956 S CA -0.701 57.628 58.200 0.216 0.000 1.116 956 S CB 0.331 63.702 63.200 0.285 0.000 0.979 956 S HN 0.234 nan 8.310 nan 0.000 0.465 957 V N 6.121 126.094 119.914 0.098 0.000 2.432 957 V HA 0.427 4.548 4.120 0.002 0.000 0.271 957 V C -0.653 175.400 176.094 -0.068 0.000 1.046 957 V CA -0.336 62.003 62.300 0.064 0.000 0.945 957 V CB 0.204 31.962 31.823 -0.109 0.000 0.992 957 V HN 0.834 nan 8.190 nan 0.000 0.471 958 W N 4.741 126.024 121.300 -0.028 0.000 2.736 958 W HA 0.725 5.386 4.660 0.001 0.000 0.335 958 W C -0.435 176.045 176.519 -0.065 0.000 1.059 958 W CA -0.609 56.735 57.345 -0.001 0.000 1.226 958 W CB 1.545 30.995 29.460 -0.017 0.000 1.416 958 W HN 0.324 nan 8.180 nan 0.000 0.505 959 I N 3.574 124.325 120.570 0.302 0.000 2.382 959 I HA 0.329 4.500 4.170 0.002 0.000 0.286 959 I C -0.712 175.679 176.117 0.458 0.000 1.002 959 I CA -0.570 60.845 61.300 0.192 0.000 1.135 959 I CB 0.645 38.750 38.000 0.176 0.000 1.288 959 I HN 0.210 nan 8.210 nan 0.000 0.448 960 F N 4.061 124.023 119.950 0.020 0.000 2.421 960 F HA 0.765 5.293 4.527 0.002 0.000 0.337 960 F C 0.809 176.486 175.800 -0.206 0.000 1.105 960 F CA -0.726 57.332 58.000 0.096 0.000 1.049 960 F CB 2.182 41.287 39.000 0.175 0.000 1.139 960 F HN 0.498 nan 8.300 nan 0.000 0.479 961 G N 1.309 110.165 108.800 0.094 0.000 2.601 961 G HA2 0.484 4.445 3.960 0.002 0.000 0.291 961 G HA3 0.484 4.445 3.960 0.002 0.000 0.291 961 G C -1.238 173.872 174.900 0.350 0.000 1.456 961 G CA -0.593 44.526 45.100 0.031 0.000 0.804 961 G HN 0.883 nan 8.290 nan 0.000 0.499 962 G N -1.079 107.970 108.800 0.414 0.000 2.537 962 G HA2 0.475 4.436 3.960 0.002 0.000 0.297 962 G HA3 0.475 4.436 3.960 0.002 0.000 0.297 962 G C 0.826 176.005 174.900 0.465 0.000 1.310 962 G CA 0.535 45.852 45.100 0.361 0.000 1.027 962 G HN 0.668 nan 8.290 nan 0.000 0.505 963 D N -0.815 119.795 120.400 0.350 0.000 2.178 963 D HA -0.084 4.557 4.640 0.002 0.000 0.202 963 D C 2.163 178.710 176.300 0.413 0.000 0.974 963 D CA 1.209 55.429 54.000 0.368 0.000 0.841 963 D CB -0.702 40.125 40.800 0.045 0.000 0.953 963 D HN 0.466 nan 8.370 nan 0.000 0.478 964 G N 0.409 109.470 108.800 0.436 0.000 2.418 964 G HA2 -0.286 3.675 3.960 0.002 0.000 0.217 964 G HA3 -0.286 3.675 3.960 0.002 0.000 0.217 964 G C 1.399 176.493 174.900 0.323 0.000 1.158 964 G CA 0.807 46.201 45.100 0.491 0.000 0.771 964 G HN 0.424 nan 8.290 nan 0.000 0.545 965 W N 1.821 123.235 121.300 0.190 0.000 2.380 965 W HA 0.130 4.791 4.660 0.001 0.000 0.317 965 W C 2.665 179.225 176.519 0.069 0.000 1.196 965 W CA 2.311 59.629 57.345 -0.044 0.000 1.307 965 W CB -0.476 29.040 29.460 0.093 0.000 1.157 965 W HN 0.233 nan 8.180 nan 0.000 0.483 966 A N -0.768 121.898 122.820 -0.257 0.000 1.902 966 A HA -0.174 4.147 4.320 0.002 0.000 0.217 966 A C 1.813 179.242 177.584 -0.258 0.000 1.181 966 A CA 1.772 53.452 52.037 -0.596 0.000 0.623 966 A CB -1.330 17.576 19.000 -0.156 0.000 0.818 966 A HN 0.520 nan 8.150 nan 0.000 0.443 967 Y N -0.257 119.954 120.300 -0.149 0.000 2.490 967 Y HA 0.068 4.619 4.550 0.002 0.000 0.285 967 Y C 1.563 177.373 175.900 -0.149 0.000 1.117 967 Y CA 0.613 58.600 58.100 -0.188 0.000 1.262 967 Y CB 0.077 38.491 38.460 -0.077 0.000 1.043 967 Y HN 0.312 nan 8.280 nan 0.000 0.553 968 D N -0.946 119.534 120.400 0.132 0.000 3.066 968 D HA 0.034 4.675 4.640 0.002 0.000 0.225 968 D C 2.015 178.322 176.300 0.012 0.000 1.397 968 D CA -0.066 54.014 54.000 0.134 0.000 1.344 968 D CB -0.793 40.216 40.800 0.348 0.000 0.934 968 D HN 0.054 nan 8.370 nan 0.000 0.202 969 I N 0.986 121.512 120.570 -0.072 0.000 2.208 969 I HA -0.140 4.031 4.170 0.002 0.000 0.245 969 I C 1.641 177.599 176.117 -0.265 0.000 1.097 969 I CA 1.803 62.958 61.300 -0.242 0.000 1.363 969 I CB 0.004 37.735 38.000 -0.448 0.000 1.051 969 I HN 0.152 nan 8.210 nan 0.000 0.413 970 G N -1.505 107.061 108.800 -0.391 0.000 3.088 970 G HA2 -0.191 3.770 3.960 0.002 0.000 0.217 970 G HA3 -0.191 3.770 3.960 0.002 0.000 0.217 970 G C 1.165 175.805 174.900 -0.434 0.000 1.159 970 G CA -0.128 44.721 45.100 -0.418 0.000 0.760 970 G HN 0.417 nan 8.290 nan 0.000 0.550 971 Y N 2.192 122.225 120.300 -0.444 0.000 2.128 971 Y HA -0.145 4.406 4.550 0.002 0.000 0.284 971 Y C 2.557 178.326 175.900 -0.219 0.000 1.154 971 Y CA 1.674 59.566 58.100 -0.347 0.000 1.149 971 Y CB -0.583 37.739 38.460 -0.230 0.000 0.976 971 Y HN 0.120 nan 8.280 nan 0.000 0.505 972 G N -0.796 107.815 108.800 -0.315 0.000 2.440 972 G HA2 -0.267 3.694 3.960 0.002 0.000 0.218 972 G HA3 -0.267 3.694 3.960 0.002 0.000 0.218 972 G C 1.905 176.647 174.900 -0.263 0.000 1.154 972 G CA 0.906 45.807 45.100 -0.332 0.000 0.767 972 G HN 0.639 nan 8.290 nan 0.000 0.552 973 G N 0.546 109.234 108.800 -0.187 0.000 2.394 973 G HA2 -0.037 3.924 3.960 0.002 0.000 0.215 973 G HA3 -0.037 3.924 3.960 0.002 0.000 0.215 973 G C 1.718 176.564 174.900 -0.090 0.000 1.165 973 G CA 0.924 45.966 45.100 -0.096 0.000 0.784 973 G HN 0.399 nan 8.290 nan 0.000 0.535 974 L N 1.307 122.437 121.223 -0.156 0.000 2.012 974 L HA -0.045 4.296 4.340 0.002 0.000 0.210 974 L C 2.228 178.990 176.870 -0.179 0.000 1.073 974 L CA 2.746 57.507 54.840 -0.131 0.000 0.748 974 L CB -0.825 41.056 42.059 -0.298 0.000 0.891 974 L HN 0.296 nan 8.230 nan 0.000 0.431 975 D N -1.648 118.557 120.400 -0.325 0.000 2.092 975 D HA -0.317 4.324 4.640 0.002 0.000 0.193 975 D C 2.228 178.406 176.300 -0.204 0.000 0.994 975 D CA 1.848 55.669 54.000 -0.298 0.000 0.828 975 D CB -0.146 40.330 40.800 -0.540 0.000 0.963 975 D HN 0.627 nan 8.370 nan 0.000 0.450 976 H N -0.872 118.038 119.070 -0.266 0.000 2.353 976 H HA -0.048 4.509 4.556 0.002 0.000 0.300 976 H C 2.061 177.193 175.328 -0.327 0.000 1.090 976 H CA 1.895 57.790 56.048 -0.255 0.000 1.327 976 H CB -0.265 29.352 29.762 -0.243 0.000 1.383 976 H HN 0.078 nan 8.280 nan 0.000 0.508 977 V N 0.380 120.127 119.914 -0.277 0.000 2.358 977 V HA -0.229 3.892 4.120 0.002 0.000 0.246 977 V C 2.573 178.499 176.094 -0.280 0.000 1.047 977 V CA 1.733 63.798 62.300 -0.391 0.000 1.035 977 V CB -0.526 31.177 31.823 -0.200 0.000 0.658 977 V HN 0.404 nan 8.190 nan 0.000 0.452 978 L N 0.121 121.206 121.223 -0.229 0.000 2.093 978 L HA -0.104 4.237 4.340 0.002 0.000 0.208 978 L C 2.640 179.297 176.870 -0.355 0.000 1.085 978 L CA 1.431 56.141 54.840 -0.216 0.000 0.755 978 L CB -0.734 41.206 42.059 -0.199 0.000 0.904 978 L HN 0.353 nan 8.230 nan 0.000 0.435 979 A N -0.037 122.445 122.820 -0.564 0.000 2.121 979 A HA -0.171 4.150 4.320 0.002 0.000 0.218 979 A C 2.496 179.944 177.584 -0.226 0.000 1.154 979 A CA 1.524 53.211 52.037 -0.583 0.000 0.679 979 A CB -0.519 18.160 19.000 -0.536 0.000 0.795 979 A HN 0.524 nan 8.150 nan 0.000 0.458 980 S N -1.281 114.231 115.700 -0.314 0.000 2.423 980 S HA 0.213 4.684 4.470 0.002 0.000 0.231 980 S C 1.681 176.199 174.600 -0.138 0.000 1.014 980 S CA 1.466 59.516 58.200 -0.250 0.000 0.965 980 S CB -0.684 62.350 63.200 -0.276 0.000 0.785 980 S HN 1.947 nan 8.310 nan 0.000 0.495 981 G N 0.773 109.540 108.800 -0.055 0.000 2.159 981 G HA2 -0.226 3.734 3.960 0.002 0.000 0.256 981 G HA3 -0.226 3.734 3.960 0.002 0.000 0.256 981 G C -0.171 174.680 174.900 -0.082 0.000 0.977 981 G CA 0.312 45.366 45.100 -0.077 0.000 0.652 981 G HN 0.648 nan 8.290 nan 0.000 0.531 982 E N 0.148 120.337 120.200 -0.018 0.000 2.342 982 E HA 0.342 4.693 4.350 0.002 0.000 0.257 982 E C -0.610 175.963 176.600 -0.046 0.000 1.150 982 E CA -0.668 55.710 56.400 -0.036 0.000 0.926 982 E CB 0.703 30.436 29.700 0.055 0.000 1.074 982 E HN 0.088 nan 8.360 nan 0.000 0.449 983 D N 1.870 122.210 120.400 -0.100 0.000 2.470 983 D HA 0.143 4.784 4.640 0.002 0.000 0.226 983 D C -1.084 175.148 176.300 -0.113 0.000 1.196 983 D CA -0.182 53.747 54.000 -0.118 0.000 0.979 983 D CB -0.286 40.428 40.800 -0.144 0.000 1.059 983 D HN 0.251 nan 8.370 nan 0.000 0.515 984 V N 0.720 120.579 119.914 -0.091 0.000 2.962 984 V HA 0.660 4.781 4.120 0.002 0.000 0.313 984 V C -0.600 175.370 176.094 -0.208 0.000 1.099 984 V CA -1.118 61.104 62.300 -0.130 0.000 0.971 984 V CB 2.356 34.172 31.823 -0.012 0.000 1.028 984 V HN 0.236 nan 8.190 nan 0.000 0.430 985 N N 1.391 119.842 118.700 -0.413 0.000 2.407 985 N HA 0.605 5.346 4.740 0.002 0.000 0.277 985 N C -1.170 174.215 175.510 -0.208 0.000 0.995 985 N CA -0.285 52.396 53.050 -0.615 0.000 0.903 985 N CB 2.274 39.669 38.487 -1.819 0.000 1.218 985 N HN 0.636 nan 8.380 nan 0.000 0.487 986 V N 2.968 122.932 119.914 0.083 0.000 2.370 986 V HA 0.383 4.504 4.120 0.002 0.000 0.283 986 V C -0.629 175.794 176.094 0.547 0.000 1.023 986 V CA -0.705 61.812 62.300 0.362 0.000 0.857 986 V CB 0.808 32.841 31.823 0.350 0.000 0.985 986 V HN 0.488 nan 8.190 nan 0.000 0.443 987 F N 5.904 126.182 119.950 0.546 0.000 2.403 987 F HA 0.654 5.182 4.527 0.001 0.000 0.355 987 F C -0.318 175.686 175.800 0.340 0.000 1.119 987 F CA -0.741 57.537 58.000 0.463 0.000 1.007 987 F CB 1.489 40.768 39.000 0.466 0.000 1.194 987 F HN 0.254 nan 8.300 nan 0.000 0.443 988 V N 7.824 127.616 119.914 -0.204 0.000 2.350 988 V HA 0.286 4.407 4.120 0.002 0.000 0.276 988 V C 0.089 175.944 176.094 -0.399 0.000 1.028 988 V CA -0.527 61.731 62.300 -0.070 0.000 0.860 988 V CB 1.327 33.259 31.823 0.181 0.000 0.990 988 V HN 0.709 nan 8.190 nan 0.000 0.453 989 M N 4.364 123.817 119.600 -0.246 0.000 2.261 989 M HA 0.284 4.765 4.480 0.002 0.000 0.349 989 M C -0.194 176.082 176.300 -0.040 0.000 1.305 989 M CA -0.181 54.980 55.300 -0.232 0.000 1.240 989 M CB 0.337 32.914 32.600 -0.038 0.000 1.394 989 M HN 0.489 nan 8.290 nan 0.000 0.438 990 D N 2.384 122.749 120.400 -0.058 0.000 2.352 990 D HA 0.080 4.721 4.640 0.002 0.000 0.245 990 D C 0.877 177.090 176.300 -0.145 0.000 1.224 990 D CA 0.111 54.122 54.000 0.019 0.000 0.879 990 D CB 0.995 41.926 40.800 0.219 0.000 1.057 990 D HN 0.642 nan 8.370 nan 0.000 0.491 991 T N 0.016 114.529 114.554 -0.068 0.000 3.069 991 T HA 0.087 4.438 4.350 0.002 0.000 0.252 991 T C 0.596 175.251 174.700 -0.075 0.000 1.053 991 T CA -0.298 61.734 62.100 -0.113 0.000 0.964 991 T CB -0.190 68.666 68.868 -0.020 0.000 1.005 991 T HN 0.580 nan 8.240 nan 0.000 0.532 992 E N -0.089 120.089 120.200 -0.036 0.000 2.722 992 E HA -0.166 4.185 4.350 0.002 0.000 0.265 992 E C -0.081 176.511 176.600 -0.014 0.000 1.081 992 E CA 0.600 56.996 56.400 -0.007 0.000 0.781 992 E CB -2.416 27.342 29.700 0.096 0.000 1.372 992 E HN 0.815 nan 8.360 nan 0.000 0.423 993 V N -4.913 115.014 119.914 0.020 0.000 3.279 993 V HA 0.351 4.472 4.120 0.002 0.000 0.281 993 V C -1.013 175.206 176.094 0.209 0.000 1.601 993 V CA -1.325 60.995 62.300 0.034 0.000 1.044 993 V CB 0.975 32.791 31.823 -0.012 0.000 1.205 993 V HN -0.008 nan 8.190 nan 0.000 0.464 994 Y N 1.700 122.012 120.300 0.019 0.000 2.585 994 Y HA 0.529 5.079 4.550 0.002 0.000 0.354 994 Y C 1.688 177.586 175.900 -0.004 0.000 1.024 994 Y CA -0.059 58.061 58.100 0.033 0.000 1.321 994 Y CB 0.527 38.994 38.460 0.012 0.000 1.151 994 Y HN 0.833 nan 8.280 nan 0.000 0.525 995 S N 2.497 118.286 115.700 0.148 0.000 2.336 995 S HA -0.206 4.265 4.470 0.002 0.000 0.216 995 S C 1.948 176.575 174.600 0.044 0.000 1.032 995 S CA 1.316 59.562 58.200 0.077 0.000 0.973 995 S CB -0.206 63.040 63.200 0.078 0.000 0.888 995 S HN 0.884 nan 8.310 nan 0.000 0.455 996 N N 1.930 120.647 118.700 0.027 0.000 2.094 996 N HA -0.183 4.558 4.740 0.002 0.000 0.191 996 N C 1.367 176.858 175.510 -0.032 0.000 1.023 996 N CA 2.292 55.339 53.050 -0.006 0.000 0.857 996 N CB -0.809 37.653 38.487 -0.043 0.000 1.013 996 N HN 0.466 nan 8.380 nan 0.000 0.426 997 T N -5.175 109.356 114.554 -0.039 0.000 3.118 997 T HA 0.332 4.683 4.350 0.002 0.000 0.260 997 T C 1.341 176.026 174.700 -0.027 0.000 1.139 997 T CA 0.279 62.355 62.100 -0.040 0.000 1.085 997 T CB 0.018 68.861 68.868 -0.042 0.000 0.934 997 T HN 0.555 nan 8.240 nan 0.000 0.518 998 G N 0.249 109.037 108.800 -0.021 0.000 2.148 998 G HA2 0.328 4.289 3.960 0.002 0.000 0.120 998 G HA3 0.328 4.289 3.960 0.002 0.000 0.120 998 G C 0.672 175.533 174.900 -0.066 0.000 1.034 998 G CA -0.144 44.925 45.100 -0.052 0.000 0.710 998 G HN 1.422 nan 8.290 nan 0.000 0.495 999 G N -0.934 107.850 108.800 -0.028 0.000 2.256 999 G HA2 -0.071 3.890 3.960 0.002 0.000 0.272 999 G HA3 -0.071 3.890 3.960 0.002 0.000 0.272 999 G C 0.160 175.004 174.900 -0.093 0.000 1.076 999 G CA 0.881 45.950 45.100 -0.050 0.000 0.882 999 G HN 1.043 nan 8.290 nan 0.000 0.497 1000 Q N 0.162 119.927 119.800 -0.059 0.000 2.299 1000 Q HA 0.622 4.962 4.340 0.002 0.000 0.246 1000 Q C 0.862 176.707 176.000 -0.258 0.000 0.935 1000 Q CA 0.230 55.953 55.803 -0.133 0.000 0.887 1000 Q CB 1.297 30.035 28.738 -0.001 0.000 1.223 1000 Q HN 0.415 nan 8.270 nan 0.000 0.439 1001 S N 0.954 116.532 115.700 -0.203 0.000 2.568 1001 S HA 0.353 4.824 4.470 0.002 0.000 0.282 1001 S C -0.239 174.085 174.600 -0.460 0.000 1.338 1001 S CA 0.017 58.083 58.200 -0.224 0.000 1.045 1001 S CB 0.115 63.263 63.200 -0.087 0.000 0.873 1001 S HN 0.642 nan 8.310 nan 0.000 0.516 1002 S N 3.209 118.720 115.700 -0.315 0.000 2.704 1002 S HA 0.510 4.981 4.470 0.002 0.000 0.296 1002 S C 0.257 174.800 174.600 -0.095 0.000 1.138 1002 S CA -0.973 57.082 58.200 -0.241 0.000 0.875 1002 S CB 1.197 64.394 63.200 -0.005 0.000 1.151 1002 S HN 0.724 nan 8.310 nan 0.000 0.500 1003 K N 0.108 120.500 120.400 -0.014 0.000 2.504 1003 K HA 0.094 4.415 4.320 0.002 0.000 0.195 1003 K C 1.528 178.070 176.600 -0.097 0.000 1.036 1003 K CA 0.836 57.117 56.287 -0.009 0.000 0.984 1003 K CB -0.351 32.183 32.500 0.057 0.000 0.788 1003 K HN 0.668 nan 8.250 nan 0.000 0.488 1004 A N 0.908 123.533 122.820 -0.324 0.000 2.218 1004 A HA 0.037 4.358 4.320 0.002 0.000 0.209 1004 A C 0.669 178.143 177.584 -0.184 0.000 1.168 1004 A CA 0.192 51.879 52.037 -0.583 0.000 0.804 1004 A CB 0.086 18.371 19.000 -1.192 0.000 0.834 1004 A HN 0.046 nan 8.150 nan 0.000 0.482 1005 T N 3.703 118.199 114.554 -0.097 0.000 2.870 1005 T HA 0.356 4.707 4.350 0.002 0.000 0.300 1005 T C -2.382 172.352 174.700 0.057 0.000 0.989 1005 T CA -0.726 61.368 62.100 -0.010 0.000 1.139 1005 T CB 1.131 69.973 68.868 -0.044 0.000 0.920 1005 T HN 0.275 nan 8.240 nan 0.000 0.537 1006 P HA 0.168 nan 4.420 nan 0.000 0.276 1006 P C -0.337 177.098 177.300 0.225 0.000 1.252 1006 P CA -0.535 62.702 63.100 0.228 0.000 0.802 1006 P CB 0.390 32.348 31.700 0.429 0.000 1.035 1007 T N 0.888 115.568 114.554 0.211 0.000 2.908 1007 T HA 0.271 4.622 4.350 0.002 0.000 0.301 1007 T C 1.450 176.313 174.700 0.273 0.000 1.019 1007 T CA 1.814 64.025 62.100 0.185 0.000 1.152 1007 T CB -0.708 68.250 68.868 0.150 0.000 0.966 1007 T HN 0.826 nan 8.240 nan 0.000 0.540 1008 G N 2.034 110.956 108.800 0.204 0.000 2.205 1008 G HA2 -0.147 3.814 3.960 0.002 0.000 0.261 1008 G HA3 -0.147 3.814 3.960 0.002 0.000 0.261 1008 G C 0.309 175.350 174.900 0.235 0.000 0.980 1008 G CA 0.012 45.260 45.100 0.246 0.000 0.632 1008 G HN 1.208 nan 8.290 nan 0.000 0.533 1009 A N 0.043 122.936 122.820 0.121 0.000 2.401 1009 A HA 0.665 4.986 4.320 0.002 0.000 0.259 1009 A C 0.503 177.979 177.584 -0.179 0.000 1.103 1009 A CA 0.282 52.144 52.037 -0.292 0.000 0.789 1009 A CB 1.020 19.835 19.000 -0.307 0.000 1.035 1009 A HN 1.108 nan 8.150 nan 0.000 0.491 1010 V N 1.809 121.584 119.914 -0.232 0.000 2.465 1010 V HA 0.654 4.775 4.120 0.002 0.000 0.279 1010 V C 0.606 176.605 176.094 -0.158 0.000 1.045 1010 V CA 0.729 62.947 62.300 -0.136 0.000 0.938 1010 V CB 0.628 32.398 31.823 -0.089 0.000 0.986 1010 V HN 1.356 nan 8.190 nan 0.000 0.467 1011 A N 5.138 127.877 122.820 -0.134 0.000 2.581 1011 A HA 0.747 5.068 4.320 0.002 0.000 0.290 1011 A C -1.079 176.389 177.584 -0.193 0.000 1.119 1011 A CA -0.994 50.950 52.037 -0.155 0.000 0.670 1011 A CB 1.299 20.215 19.000 -0.142 0.000 1.280 1011 A HN 0.514 nan 8.150 nan 0.000 0.425 1012 K N 0.310 120.539 120.400 -0.285 0.000 2.448 1012 K HA 0.391 4.712 4.320 0.002 0.000 0.278 1012 K C -0.400 175.907 176.600 -0.489 0.000 1.009 1012 K CA 0.475 56.437 56.287 -0.541 0.000 0.995 1012 K CB -0.701 31.335 32.500 -0.774 0.000 0.917 1012 K HN 0.905 nan 8.250 nan 0.000 0.481 1013 F N -1.130 118.765 119.950 -0.092 0.000 2.699 1013 F HA -0.309 4.219 4.527 0.002 0.000 0.343 1013 F C 0.542 176.299 175.800 -0.072 0.000 0.633 1013 F CA 0.692 58.646 58.000 -0.077 0.000 1.365 1013 F CB -1.468 37.476 39.000 -0.093 0.000 1.795 1013 F HN 0.600 nan 8.300 nan 0.000 0.304 1014 A N -0.246 122.580 122.820 0.009 0.000 3.106 1014 A HA 0.777 5.097 4.320 0.002 0.000 0.227 1014 A C 0.882 178.436 177.584 -0.049 0.000 0.920 1014 A CA 0.341 52.370 52.037 -0.013 0.000 1.088 1014 A CB -0.148 18.834 19.000 -0.030 0.000 1.233 1014 A HN 0.643 nan 8.150 nan 0.000 0.503 1015 A N -0.459 122.331 122.820 -0.050 0.000 2.225 1015 A HA 0.344 4.665 4.320 0.002 0.000 0.215 1015 A C 1.489 179.043 177.584 -0.050 0.000 1.164 1015 A CA 1.668 53.673 52.037 -0.052 0.000 0.710 1015 A CB -0.106 18.868 19.000 -0.043 0.000 0.780 1015 A HN 1.583 nan 8.150 nan 0.000 0.473 1016 A N -1.344 121.417 122.820 -0.098 0.000 2.605 1016 A HA 0.537 4.858 4.320 0.002 0.000 0.292 1016 A C 0.843 178.356 177.584 -0.118 0.000 1.055 1016 A CA 0.555 52.462 52.037 -0.216 0.000 0.969 1016 A CB -0.643 18.135 19.000 -0.370 0.000 1.236 1016 A HN 1.993 nan 8.150 nan 0.000 0.534 1017 G N 0.388 109.161 108.800 -0.045 0.000 3.190 1017 G HA2 -0.097 3.864 3.960 0.002 0.000 0.686 1017 G HA3 -0.097 3.864 3.960 0.002 0.000 0.686 1017 G C -0.363 174.536 174.900 -0.001 0.000 1.033 1017 G CA -0.195 44.902 45.100 -0.004 0.000 0.797 1017 G HN 0.739 nan 8.290 nan 0.000 0.567 1018 K N 1.309 121.717 120.400 0.013 0.000 2.484 1018 K HA 0.213 4.534 4.320 0.002 0.000 0.280 1018 K C 1.099 177.720 176.600 0.036 0.000 1.013 1018 K CA -0.060 56.239 56.287 0.021 0.000 1.029 1018 K CB 0.261 32.777 32.500 0.028 0.000 0.902 1018 K HN 0.389 nan 8.250 nan 0.000 0.481 1019 R N 2.167 122.680 120.500 0.022 0.000 2.427 1019 R HA 0.076 4.417 4.340 0.002 0.000 0.262 1019 R C -0.236 176.080 176.300 0.026 0.000 0.943 1019 R CA 0.095 56.208 56.100 0.023 0.000 1.081 1019 R CB 0.082 30.387 30.300 0.007 0.000 1.166 1019 R HN 0.768 nan 8.270 nan 0.000 0.534 1020 T N -3.054 111.518 114.554 0.030 0.000 2.893 1020 T HA 0.680 5.031 4.350 0.002 0.000 0.291 1020 T C 0.526 175.250 174.700 0.041 0.000 1.028 1020 T CA -0.783 61.334 62.100 0.028 0.000 0.995 1020 T CB 2.767 71.646 68.868 0.018 0.000 1.051 1020 T HN 0.081 nan 8.240 nan 0.000 0.470 1021 G N 0.834 109.659 108.800 0.041 0.000 2.651 1021 G HA2 0.387 4.348 3.960 0.002 0.000 0.260 1021 G HA3 0.387 4.348 3.960 0.002 0.000 0.260 1021 G C -0.323 174.604 174.900 0.045 0.000 1.216 1021 G CA -0.900 44.232 45.100 0.053 0.000 0.913 1021 G HN 0.981 nan 8.290 nan 0.000 0.535 1022 K N 0.209 120.640 120.400 0.052 0.000 2.412 1022 K HA 0.079 4.400 4.320 0.002 0.000 0.281 1022 K C 0.594 177.227 176.600 0.054 0.000 1.027 1022 K CA -0.288 56.026 56.287 0.046 0.000 0.989 1022 K CB 0.393 32.923 32.500 0.050 0.000 0.935 1022 K HN 0.464 nan 8.250 nan 0.000 0.475 1023 K N 3.662 124.113 120.400 0.085 0.000 2.401 1023 K HA -0.075 4.246 4.320 0.002 0.000 0.278 1023 K C -0.416 176.258 176.600 0.123 0.000 1.018 1023 K CA -0.063 56.280 56.287 0.092 0.000 0.981 1023 K CB 0.585 33.161 32.500 0.127 0.000 0.933 1023 K HN 0.519 nan 8.250 nan 0.000 0.477 1024 D N 5.589 125.995 120.400 0.009 0.000 2.631 1024 D HA 0.006 4.647 4.640 0.002 0.000 0.227 1024 D C 1.024 177.267 176.300 -0.095 0.000 1.146 1024 D CA -0.188 53.796 54.000 -0.026 0.000 1.009 1024 D CB 0.232 40.992 40.800 -0.066 0.000 1.057 1024 D HN 0.574 nan 8.370 nan 0.000 0.509 1025 L N 3.032 124.159 121.223 -0.160 0.000 2.042 1025 L HA -0.159 4.182 4.340 0.002 0.000 0.210 1025 L C 2.048 178.822 176.870 -0.160 0.000 1.076 1025 L CA 2.252 56.899 54.840 -0.322 0.000 0.749 1025 L CB -0.534 41.064 42.059 -0.768 0.000 0.893 1025 L HN 0.260 nan 8.230 nan 0.000 0.432 1026 A N -0.230 122.541 122.820 -0.081 0.000 1.865 1026 A HA -0.242 4.079 4.320 0.002 0.000 0.217 1026 A C 2.437 179.983 177.584 -0.063 0.000 1.191 1026 A CA 2.051 54.098 52.037 0.016 0.000 0.623 1026 A CB -0.620 18.509 19.000 0.216 0.000 0.826 1026 A HN 0.532 nan 8.150 nan 0.000 0.444 1027 R N -1.261 119.162 120.500 -0.129 0.000 2.115 1027 R HA -0.005 4.336 4.340 0.002 0.000 0.230 1027 R C 2.264 178.437 176.300 -0.212 0.000 1.111 1027 R CA 1.366 57.331 56.100 -0.226 0.000 0.976 1027 R CB -0.377 29.777 30.300 -0.243 0.000 0.870 1027 R HN 0.576 nan 8.270 nan 0.000 0.445 1028 M N 0.059 119.565 119.600 -0.158 0.000 2.086 1028 M HA -0.156 4.325 4.480 0.002 0.000 0.261 1028 M C 2.246 178.452 176.300 -0.158 0.000 1.067 1028 M CA 1.519 56.732 55.300 -0.144 0.000 1.116 1028 M CB -0.154 32.401 32.600 -0.074 0.000 1.348 1028 M HN -0.039 nan 8.290 nan 0.000 0.407 1029 V N 0.218 120.082 119.914 -0.082 0.000 2.515 1029 V HA -0.227 3.894 4.120 0.002 0.000 0.250 1029 V C 2.229 178.262 176.094 -0.102 0.000 1.058 1029 V CA 1.391 63.695 62.300 0.007 0.000 1.064 1029 V CB -0.580 31.269 31.823 0.042 0.000 0.675 1029 V HN 0.523 nan 8.190 nan 0.000 0.461 1030 M N 0.620 120.059 119.600 -0.269 0.000 2.460 1030 M HA -0.126 4.355 4.480 0.002 0.000 0.263 1030 M C 2.282 178.274 176.300 -0.514 0.000 1.071 1030 M CA 1.864 56.831 55.300 -0.555 0.000 1.096 1030 M CB -0.758 31.424 32.600 -0.696 0.000 1.408 1030 M HN 0.644 nan 8.290 nan 0.000 0.463 1031 T N -2.241 112.083 114.554 -0.383 0.000 2.977 1031 T HA -0.166 4.185 4.350 0.002 0.000 0.271 1031 T C 1.398 175.895 174.700 -0.338 0.000 1.105 1031 T CA 0.995 62.880 62.100 -0.358 0.000 1.116 1031 T CB -0.541 68.100 68.868 -0.377 0.000 0.878 1031 T HN 0.324 nan 8.240 nan 0.000 0.509 1032 Y N 2.080 122.206 120.300 -0.289 0.000 2.242 1032 Y HA 0.227 4.777 4.550 0.001 0.000 0.291 1032 Y C 2.597 178.368 175.900 -0.215 0.000 1.137 1032 Y CA 0.653 58.524 58.100 -0.383 0.000 1.181 1032 Y CB -0.789 37.254 38.460 -0.695 0.000 0.989 1032 Y HN 0.450 nan 8.280 nan 0.000 0.527 1033 G N -0.778 108.058 108.800 0.060 0.000 2.347 1033 G HA2 -0.402 3.559 3.960 0.002 0.000 0.247 1033 G HA3 -0.402 3.559 3.960 0.002 0.000 0.247 1033 G C 0.754 176.060 174.900 0.676 0.000 1.037 1033 G CA 0.696 46.056 45.100 0.433 0.000 0.622 1033 G HN 0.579 nan 8.290 nan 0.000 0.521 1034 Y N -0.011 120.595 120.300 0.511 0.000 2.607 1034 Y HA 0.755 5.306 4.550 0.002 0.000 0.266 1034 Y C 0.294 176.387 175.900 0.323 0.000 1.178 1034 Y CA -0.893 57.376 58.100 0.281 0.000 1.226 1034 Y CB -0.098 38.354 38.460 -0.014 0.000 1.144 1034 Y HN 0.226 nan 8.280 nan 0.000 0.528 1035 V N 1.650 121.685 119.914 0.202 0.000 2.459 1035 V HA 0.188 4.309 4.120 0.002 0.000 0.295 1035 V C -0.889 175.253 176.094 0.081 0.000 1.029 1035 V CA -1.264 61.139 62.300 0.171 0.000 0.874 1035 V CB 1.286 33.114 31.823 0.008 0.000 0.985 1035 V HN 0.302 nan 8.190 nan 0.000 0.438 1036 Y N 4.924 125.086 120.300 -0.229 0.000 2.402 1036 Y HA 0.538 5.089 4.550 0.001 0.000 0.333 1036 Y C -0.303 175.597 175.900 -0.001 0.000 1.076 1036 Y CA 0.130 58.049 58.100 -0.302 0.000 1.299 1036 Y CB 1.025 39.131 38.460 -0.591 0.000 1.197 1036 Y HN 0.415 nan 8.280 nan 0.000 0.517 1037 V N 5.628 125.398 119.914 -0.240 0.000 2.709 1037 V HA 0.901 5.022 4.120 0.002 0.000 0.308 1037 V C -0.695 175.359 176.094 -0.068 0.000 1.062 1037 V CA -0.475 61.817 62.300 -0.013 0.000 0.901 1037 V CB 1.292 33.154 31.823 0.064 0.000 1.003 1037 V HN 0.949 nan 8.190 nan 0.000 0.425 1038 A N 2.727 125.597 122.820 0.082 0.000 2.594 1038 A HA 0.955 5.276 4.320 0.002 0.000 0.295 1038 A C -0.443 177.130 177.584 -0.017 0.000 1.071 1038 A CA -0.305 51.758 52.037 0.042 0.000 0.685 1038 A CB 2.219 21.335 19.000 0.193 0.000 1.285 1038 A HN 1.001 nan 8.150 nan 0.000 0.405 1039 T N -1.196 113.202 114.554 -0.261 0.000 2.887 1039 T HA 0.834 5.184 4.350 0.002 0.000 0.288 1039 T C -0.182 174.593 174.700 0.125 0.000 1.021 1039 T CA -0.129 61.873 62.100 -0.164 0.000 1.000 1039 T CB 1.051 69.511 68.868 -0.681 0.000 1.034 1039 T HN 2.094 nan 8.240 nan 0.000 0.467 1040 V N -1.719 118.429 119.914 0.389 0.000 3.159 1040 V HA 0.968 5.089 4.120 0.002 0.000 0.308 1040 V C -0.570 175.811 176.094 0.478 0.000 1.190 1040 V CA -0.878 61.693 62.300 0.452 0.000 1.037 1040 V CB 1.746 33.902 31.823 0.556 0.000 1.060 1040 V HN 1.157 nan 8.190 nan 0.000 0.437 1041 S N 2.196 118.152 115.700 0.426 0.000 2.609 1041 S HA 0.324 4.795 4.470 0.002 0.000 0.250 1041 S C 0.397 175.188 174.600 0.318 0.000 1.112 1041 S CA -0.009 58.398 58.200 0.344 0.000 1.102 1041 S CB 1.183 64.523 63.200 0.233 0.000 1.124 1041 S HN 1.075 nan 8.310 nan 0.000 0.460 1042 M N 4.181 123.912 119.600 0.218 0.000 2.089 1042 M HA -0.077 4.404 4.480 0.002 0.000 0.257 1042 M C 1.885 178.244 176.300 0.098 0.000 1.071 1042 M CA 2.711 58.038 55.300 0.044 0.000 1.096 1042 M CB -0.730 31.666 32.600 -0.340 0.000 1.330 1042 M HN 0.793 nan 8.290 nan 0.000 0.403 1043 G N -1.429 107.431 108.800 0.101 0.000 2.448 1043 G HA2 -0.292 3.669 3.960 0.002 0.000 0.219 1043 G HA3 -0.292 3.669 3.960 0.002 0.000 0.219 1043 G C 1.161 176.146 174.900 0.141 0.000 1.127 1043 G CA 0.971 46.132 45.100 0.102 0.000 0.766 1043 G HN 0.626 nan 8.290 nan 0.000 0.552 1044 Y N 0.772 121.112 120.300 0.067 0.000 2.231 1044 Y HA 0.326 4.876 4.550 0.001 0.000 0.294 1044 Y C 1.013 176.953 175.900 0.066 0.000 1.120 1044 Y CA 0.985 59.124 58.100 0.065 0.000 1.141 1044 Y CB 0.320 38.835 38.460 0.091 0.000 1.022 1044 Y HN 0.136 nan 8.280 nan 0.000 0.523 1045 S N -0.192 115.565 115.700 0.095 0.000 2.706 1045 S HA 0.293 4.764 4.470 0.002 0.000 0.270 1045 S C -0.139 174.538 174.600 0.128 0.000 1.163 1045 S CA -0.787 57.410 58.200 -0.005 0.000 1.042 1045 S CB 0.957 64.147 63.200 -0.016 0.000 1.079 1045 S HN 0.341 nan 8.310 nan 0.000 0.474 1046 K N 2.671 123.076 120.400 0.008 0.000 2.155 1046 K HA -0.008 4.313 4.320 0.002 0.000 0.203 1046 K C 1.860 178.511 176.600 0.084 0.000 1.052 1046 K CA 0.990 57.280 56.287 0.005 0.000 0.948 1046 K CB 0.037 32.203 32.500 -0.558 0.000 0.728 1046 K HN 0.625 nan 8.250 nan 0.000 0.448 1047 Q N 0.502 120.308 119.800 0.010 0.000 2.123 1047 Q HA -0.142 4.199 4.340 0.002 0.000 0.199 1047 Q C 2.274 178.349 176.000 0.125 0.000 0.966 1047 Q CA 0.983 56.806 55.803 0.035 0.000 0.845 1047 Q CB 0.081 28.813 28.738 -0.011 0.000 0.907 1047 Q HN 0.250 nan 8.270 nan 0.000 0.439 1048 Q N 0.170 120.077 119.800 0.178 0.000 2.119 1048 Q HA -0.171 4.170 4.340 0.002 0.000 0.201 1048 Q C 1.862 178.066 176.000 0.340 0.000 0.972 1048 Q CA 1.075 57.019 55.803 0.236 0.000 0.847 1048 Q CB -0.099 28.801 28.738 0.271 0.000 0.903 1048 Q HN 0.341 nan 8.270 nan 0.000 0.433 1049 F N 1.063 121.162 119.950 0.248 0.000 2.113 1049 F HA -0.144 4.384 4.527 0.002 0.000 0.297 1049 F C 1.907 177.886 175.800 0.298 0.000 1.103 1049 F CA 1.150 59.346 58.000 0.326 0.000 1.248 1049 F CB -0.572 38.668 39.000 0.400 0.000 0.999 1049 F HN 0.031 nan 8.300 nan 0.000 0.475 1050 L N 0.256 121.495 121.223 0.028 0.000 2.083 1050 L HA -0.216 4.125 4.340 0.002 0.000 0.209 1050 L C 2.606 179.474 176.870 -0.002 0.000 1.083 1050 L CA 1.798 56.572 54.840 -0.110 0.000 0.752 1050 L CB -0.747 41.320 42.059 0.014 0.000 0.899 1050 L HN 0.128 nan 8.230 nan 0.000 0.433 1051 K N 0.004 120.455 120.400 0.085 0.000 2.097 1051 K HA -0.139 4.182 4.320 0.002 0.000 0.205 1051 K C 1.992 178.686 176.600 0.156 0.000 1.050 1051 K CA 1.104 57.459 56.287 0.113 0.000 0.938 1051 K CB 0.080 32.654 32.500 0.124 0.000 0.718 1051 K HN 0.054 nan 8.250 nan 0.000 0.442 1052 V N 1.627 121.669 119.914 0.213 0.000 2.358 1052 V HA -0.236 3.885 4.120 0.002 0.000 0.246 1052 V C 2.263 178.505 176.094 0.247 0.000 1.047 1052 V CA 1.489 63.970 62.300 0.302 0.000 1.035 1052 V CB -0.304 31.767 31.823 0.413 0.000 0.658 1052 V HN 0.333 nan 8.190 nan 0.000 0.452 1053 L N -0.177 121.159 121.223 0.188 0.000 2.017 1053 L HA -0.233 4.108 4.340 0.002 0.000 0.208 1053 L C 2.599 179.690 176.870 0.368 0.000 1.073 1053 L CA 2.104 57.120 54.840 0.293 0.000 0.745 1053 L CB -0.648 41.472 42.059 0.101 0.000 0.894 1053 L HN 0.324 nan 8.230 nan 0.000 0.432 1054 K N 0.440 120.990 120.400 0.250 0.000 2.026 1054 K HA -0.209 4.112 4.320 0.002 0.000 0.208 1054 K C 1.938 178.612 176.600 0.123 0.000 1.048 1054 K CA 1.658 58.091 56.287 0.243 0.000 0.929 1054 K CB 0.018 32.603 32.500 0.142 0.000 0.713 1054 K HN 0.330 nan 8.250 nan 0.000 0.439 1055 E N -0.100 120.123 120.200 0.038 0.000 2.072 1055 E HA -0.168 4.183 4.350 0.002 0.000 0.191 1055 E C 2.005 178.315 176.600 -0.483 0.000 0.985 1055 E CA 1.013 57.336 56.400 -0.127 0.000 0.801 1055 E CB -0.104 29.578 29.700 -0.028 0.000 0.750 1055 E HN 0.432 nan 8.360 nan 0.000 0.452 1056 A N 1.566 124.046 122.820 -0.567 0.000 1.898 1056 A HA -0.206 4.115 4.320 0.002 0.000 0.216 1056 A C 2.150 179.576 177.584 -0.263 0.000 1.181 1056 A CA 1.248 52.901 52.037 -0.640 0.000 0.620 1056 A CB -0.307 18.599 19.000 -0.157 0.000 0.819 1056 A HN 0.096 nan 8.150 nan 0.000 0.442 1057 E N 0.684 120.797 120.200 -0.145 0.000 2.106 1057 E HA -0.135 4.216 4.350 0.002 0.000 0.192 1057 E C 2.275 178.795 176.600 -0.133 0.000 0.984 1057 E CA 1.568 57.832 56.400 -0.227 0.000 0.806 1057 E CB -0.200 29.263 29.700 -0.395 0.000 0.750 1057 E HN 0.673 nan 8.360 nan 0.000 0.458 1058 S N -0.183 115.494 115.700 -0.038 0.000 2.489 1058 S HA -0.063 4.407 4.470 0.002 0.000 0.228 1058 S C 0.892 175.501 174.600 0.014 0.000 0.995 1058 S CA -0.383 57.819 58.200 0.003 0.000 0.934 1058 S CB -0.531 62.698 63.200 0.048 0.000 0.771 1058 S HN 0.182 nan 8.310 nan 0.000 0.522 1059 F N 5.886 125.743 119.950 -0.155 0.000 2.571 1059 F HA 0.290 4.818 4.527 0.002 0.000 0.384 1059 F C -2.148 173.603 175.800 -0.081 0.000 1.058 1059 F CA -2.819 55.117 58.000 -0.107 0.000 1.200 1059 F CB 0.569 39.491 39.000 -0.129 0.000 1.077 1059 F HN 0.057 nan 8.300 nan 0.000 0.558 1060 P HA 0.254 nan 4.420 nan 0.000 0.225 1060 P C -0.128 176.704 177.300 -0.780 0.000 1.768 1060 P CA 0.358 63.127 63.100 -0.552 0.000 0.943 1060 P CB -0.129 31.344 31.700 -0.378 0.000 1.936 1061 G N 0.945 109.268 108.800 -0.794 0.000 2.490 1061 G HA2 0.402 4.363 3.960 0.002 0.000 0.308 1061 G HA3 0.402 4.363 3.960 0.002 0.000 0.308 1061 G C -3.576 171.351 174.900 0.045 0.000 1.286 1061 G CA -0.991 43.841 45.100 -0.448 0.000 0.825 1061 G HN -0.175 nan 8.290 nan 0.000 0.479 1062 P HA 0.455 nan 4.420 nan 0.000 0.276 1062 P C -0.719 176.788 177.300 0.345 0.000 1.230 1062 P CA 0.060 63.295 63.100 0.226 0.000 0.776 1062 P CB 1.469 33.259 31.700 0.150 0.000 0.888 1063 S N 2.356 118.179 115.700 0.204 0.000 2.521 1063 S HA 0.613 5.084 4.470 0.002 0.000 0.295 1063 S C -1.079 173.635 174.600 0.191 0.000 1.098 1063 S CA -0.466 57.868 58.200 0.224 0.000 0.999 1063 S CB 0.826 64.090 63.200 0.105 0.000 1.034 1063 S HN 0.305 nan 8.310 nan 0.000 0.483 1064 L N 4.181 125.557 121.223 0.255 0.000 2.376 1064 L HA 0.748 5.089 4.340 0.002 0.000 0.275 1064 L C -1.506 175.541 176.870 0.295 0.000 0.987 1064 L CA -0.407 54.575 54.840 0.237 0.000 0.828 1064 L CB 1.407 43.560 42.059 0.158 0.000 1.249 1064 L HN 0.454 nan 8.230 nan 0.000 0.409 1065 V N 6.658 126.784 119.914 0.353 0.000 2.487 1065 V HA 0.524 4.645 4.120 0.002 0.000 0.298 1065 V C -0.125 176.111 176.094 0.237 0.000 1.028 1065 V CA -0.398 62.140 62.300 0.398 0.000 0.860 1065 V CB 1.712 33.932 31.823 0.662 0.000 0.991 1065 V HN 0.614 nan 8.190 nan 0.000 0.427 1066 I N 4.204 124.883 120.570 0.181 0.000 2.362 1066 I HA 0.745 4.916 4.170 0.002 0.000 0.289 1066 I C 0.306 176.559 176.117 0.226 0.000 0.994 1066 I CA -0.454 60.933 61.300 0.145 0.000 1.158 1066 I CB 1.780 39.909 38.000 0.215 0.000 1.315 1066 I HN 0.668 nan 8.210 nan 0.000 0.451 1067 A N 5.582 128.360 122.820 -0.071 0.000 2.324 1067 A HA 0.504 4.825 4.320 0.002 0.000 0.330 1067 A C -1.256 176.176 177.584 -0.254 0.000 1.165 1067 A CA -0.426 51.482 52.037 -0.215 0.000 0.813 1067 A CB 0.736 19.151 19.000 -0.976 0.000 1.197 1067 A HN 0.638 nan 8.150 nan 0.000 0.484 1068 Y N 2.216 122.201 120.300 -0.525 0.000 2.486 1068 Y HA 0.451 5.002 4.550 0.002 0.000 0.348 1068 Y C 0.338 176.063 175.900 -0.292 0.000 1.000 1068 Y CA -0.172 57.381 58.100 -0.912 0.000 1.253 1068 Y CB 0.350 37.970 38.460 -1.401 0.000 1.140 1068 Y HN 0.770 nan 8.280 nan 0.000 0.526 1069 A N 5.304 127.761 122.820 -0.605 0.000 2.273 1069 A HA 0.498 4.819 4.320 0.002 0.000 0.315 1069 A C 0.043 177.399 177.584 -0.380 0.000 1.256 1069 A CA -0.418 51.465 52.037 -0.256 0.000 0.851 1069 A CB -0.031 18.906 19.000 -0.105 0.000 1.172 1069 A HN 0.788 nan 8.150 nan 0.000 0.508 1070 T N -0.854 113.590 114.554 -0.183 0.000 2.898 1070 T HA 0.465 4.816 4.350 0.002 0.000 0.301 1070 T C 0.057 174.718 174.700 -0.065 0.000 1.049 1070 T CA -0.467 61.566 62.100 -0.113 0.000 1.095 1070 T CB 0.963 69.844 68.868 0.020 0.000 0.976 1070 T HN 1.240 nan 8.240 nan 0.000 0.539 1071 C N 3.183 122.454 119.300 -0.048 0.000 3.082 1071 C HA 0.517 4.978 4.460 0.002 0.000 0.324 1071 C C 1.744 176.726 174.990 -0.013 0.000 1.210 1071 C CA -0.929 58.078 59.018 -0.018 0.000 1.366 1071 C CB 0.090 27.818 27.740 -0.020 0.000 1.756 1071 C HN 1.088 nan 8.230 nan 0.000 0.485 1072 I N 1.389 121.959 120.570 0.000 0.000 2.423 1072 I HA -0.132 4.039 4.170 0.002 0.000 0.254 1072 I C 1.693 177.796 176.117 -0.022 0.000 1.151 1072 I CA 2.064 63.361 61.300 -0.005 0.000 1.421 1072 I CB -0.625 37.378 38.000 0.005 0.000 1.079 1072 I HN 0.771 nan 8.210 nan 0.000 0.431 1073 N N 0.947 119.632 118.700 -0.026 0.000 2.272 1073 N HA -0.196 4.545 4.740 0.002 0.000 0.185 1073 N C 1.797 177.266 175.510 -0.068 0.000 1.014 1073 N CA 1.162 54.184 53.050 -0.046 0.000 0.870 1073 N CB -0.147 38.315 38.487 -0.042 0.000 0.975 1073 N HN 0.601 nan 8.380 nan 0.000 0.433 1074 Q N -0.176 119.587 119.800 -0.062 0.000 2.369 1074 Q HA 0.046 4.387 4.340 0.002 0.000 0.206 1074 Q C 0.785 176.738 176.000 -0.079 0.000 0.963 1074 Q CA 0.509 56.264 55.803 -0.081 0.000 0.894 1074 Q CB 0.368 29.076 28.738 -0.049 0.000 0.965 1074 Q HN 0.397 nan 8.270 nan 0.000 0.475 1075 G N 1.301 110.068 108.800 -0.055 0.000 2.298 1075 G HA2 -0.238 3.723 3.960 0.002 0.000 0.287 1075 G HA3 -0.238 3.723 3.960 0.002 0.000 0.287 1075 G C -0.592 174.286 174.900 -0.037 0.000 1.075 1075 G CA -0.447 44.626 45.100 -0.046 0.000 0.960 1075 G HN 0.111 nan 8.290 nan 0.000 0.502 1076 L N 0.281 121.487 121.223 -0.028 0.000 2.615 1076 L HA 0.193 4.534 4.340 0.002 0.000 0.271 1076 L C 2.268 179.128 176.870 -0.017 0.000 1.183 1076 L CA 1.054 55.880 54.840 -0.023 0.000 0.933 1076 L CB 0.378 42.434 42.059 -0.005 0.000 1.199 1076 L HN 0.607 nan 8.230 nan 0.000 0.487 1077 R N 2.741 123.229 120.500 -0.020 0.000 2.159 1077 R HA -0.139 4.202 4.340 0.002 0.000 0.237 1077 R C 0.833 177.130 176.300 -0.005 0.000 1.131 1077 R CA 1.476 57.568 56.100 -0.013 0.000 0.982 1077 R CB -0.178 30.114 30.300 -0.013 0.000 0.868 1077 R HN 0.488 nan 8.270 nan 0.000 0.453 1078 K N 0.460 120.859 120.400 -0.001 0.000 2.373 1078 K HA 0.227 4.548 4.320 0.002 0.000 0.202 1078 K C -0.185 176.420 176.600 0.008 0.000 1.025 1078 K CA 0.313 56.603 56.287 0.005 0.000 1.115 1078 K CB 1.475 33.980 32.500 0.008 0.000 0.858 1078 K HN 0.447 nan 8.250 nan 0.000 0.525 1079 G N 0.888 109.692 108.800 0.007 0.000 2.539 1079 G HA2 -0.171 3.790 3.960 0.002 0.000 0.686 1079 G HA3 -0.171 3.790 3.960 0.002 0.000 0.686 1079 G C 0.153 175.062 174.900 0.014 0.000 1.258 1079 G CA -0.909 44.197 45.100 0.010 0.000 0.846 1079 G HN -0.117 nan 8.290 nan 0.000 0.647 1080 M N 1.156 120.765 119.600 0.015 0.000 2.549 1080 M HA 0.027 4.508 4.480 0.002 0.000 0.260 1080 M C 2.475 178.789 176.300 0.023 0.000 1.076 1080 M CA 1.745 57.057 55.300 0.019 0.000 1.090 1080 M CB -1.017 31.594 32.600 0.019 0.000 1.418 1080 M HN 1.012 nan 8.290 nan 0.000 0.486 1081 G N 0.092 108.906 108.800 0.022 0.000 2.625 1081 G HA2 -0.137 3.824 3.960 0.002 0.000 0.214 1081 G HA3 -0.137 3.824 3.960 0.002 0.000 0.214 1081 G C 1.458 176.375 174.900 0.029 0.000 1.132 1081 G CA 0.381 45.496 45.100 0.024 0.000 0.782 1081 G HN 0.297 nan 8.290 nan 0.000 0.538 1082 K N 0.682 121.101 120.400 0.032 0.000 2.397 1082 K HA 0.243 4.564 4.320 0.002 0.000 0.202 1082 K C 2.008 178.641 176.600 0.056 0.000 1.022 1082 K CA -0.054 56.257 56.287 0.041 0.000 1.141 1082 K CB 0.507 33.030 32.500 0.037 0.000 0.857 1082 K HN 0.125 nan 8.250 nan 0.000 0.514 1083 S N 1.782 117.512 115.700 0.051 0.000 2.365 1083 S HA -0.180 4.291 4.470 0.002 0.000 0.225 1083 S C 1.777 176.428 174.600 0.085 0.000 1.039 1083 S CA 1.347 59.588 58.200 0.067 0.000 1.033 1083 S CB 0.017 63.240 63.200 0.039 0.000 0.887 1083 S HN 0.337 nan 8.310 nan 0.000 0.447 1084 Q N 1.064 120.898 119.800 0.058 0.000 2.084 1084 Q HA -0.123 4.218 4.340 0.002 0.000 0.202 1084 Q C 1.732 177.783 176.000 0.085 0.000 0.978 1084 Q CA 1.204 57.043 55.803 0.060 0.000 0.844 1084 Q CB -0.695 28.066 28.738 0.038 0.000 0.898 1084 Q HN 0.553 nan 8.270 nan 0.000 0.426 1085 D N -0.003 120.444 120.400 0.080 0.000 2.144 1085 D HA -0.097 4.544 4.640 0.002 0.000 0.199 1085 D C 2.088 178.464 176.300 0.127 0.000 0.984 1085 D CA 0.775 54.828 54.000 0.089 0.000 0.834 1085 D CB -0.013 40.830 40.800 0.071 0.000 0.955 1085 D HN 0.058 nan 8.370 nan 0.000 0.465 1086 V N 1.141 121.147 119.914 0.153 0.000 2.358 1086 V HA -0.227 3.894 4.120 0.002 0.000 0.246 1086 V C 2.536 178.784 176.094 0.257 0.000 1.047 1086 V CA 1.290 63.737 62.300 0.245 0.000 1.035 1086 V CB -0.420 31.541 31.823 0.230 0.000 0.658 1086 V HN 0.163 nan 8.190 nan 0.000 0.452 1087 M N -0.004 119.721 119.600 0.207 0.000 2.159 1087 M HA -0.193 4.288 4.480 0.002 0.000 0.263 1087 M C 2.138 178.491 176.300 0.088 0.000 1.063 1087 M CA 2.056 57.450 55.300 0.156 0.000 1.110 1087 M CB -0.735 31.982 32.600 0.194 0.000 1.374 1087 M HN 0.468 nan 8.290 nan 0.000 0.411 1088 N N -0.453 118.327 118.700 0.134 0.000 2.058 1088 N HA -0.150 4.591 4.740 0.002 0.000 0.191 1088 N C 1.339 176.908 175.510 0.098 0.000 1.037 1088 N CA 1.741 54.899 53.050 0.180 0.000 0.848 1088 N CB 0.149 38.723 38.487 0.145 0.000 1.021 1088 N HN 0.236 nan 8.380 nan 0.000 0.422 1089 T N 0.395 114.975 114.554 0.044 0.000 2.867 1089 T HA -0.015 4.336 4.350 0.002 0.000 0.268 1089 T C 1.881 176.348 174.700 -0.388 0.000 1.057 1089 T CA 0.911 62.975 62.100 -0.059 0.000 1.136 1089 T CB -0.308 68.615 68.868 0.090 0.000 0.874 1089 T HN 0.403 nan 8.240 nan 0.000 0.466 1090 A N 0.996 123.513 122.820 -0.505 0.000 1.940 1090 A HA -0.085 4.236 4.320 0.002 0.000 0.219 1090 A C 2.530 179.873 177.584 -0.402 0.000 1.176 1090 A CA 1.539 53.058 52.037 -0.863 0.000 0.631 1090 A CB -0.902 17.637 19.000 -0.769 0.000 0.814 1090 A HN 0.386 nan 8.150 nan 0.000 0.446 1091 V N -0.178 119.575 119.914 -0.267 0.000 2.302 1091 V HA -0.190 3.931 4.120 0.002 0.000 0.243 1091 V C 2.362 178.274 176.094 -0.303 0.000 1.036 1091 V CA 2.034 64.156 62.300 -0.296 0.000 1.020 1091 V CB -0.675 30.750 31.823 -0.664 0.000 0.657 1091 V HN 0.509 nan 8.190 nan 0.000 0.453 1092 K N 1.253 121.526 120.400 -0.211 0.000 2.113 1092 K HA -0.187 4.134 4.320 0.002 0.000 0.208 1092 K C 2.256 178.761 176.600 -0.160 0.000 1.047 1092 K CA 1.897 58.117 56.287 -0.113 0.000 0.928 1092 K CB -0.429 32.076 32.500 0.009 0.000 0.716 1092 K HN 0.629 nan 8.250 nan 0.000 0.446 1093 S N -0.607 114.969 115.700 -0.207 0.000 2.515 1093 S HA 0.012 4.483 4.470 0.002 0.000 0.231 1093 S C 1.529 176.026 174.600 -0.171 0.000 0.987 1093 S CA 0.787 58.870 58.200 -0.194 0.000 0.936 1093 S CB 0.024 63.057 63.200 -0.279 0.000 0.766 1093 S HN 0.500 nan 8.310 nan 0.000 0.528 1094 G N 0.111 108.802 108.800 -0.181 0.000 2.175 1094 G HA2 -0.380 3.581 3.960 0.002 0.000 0.244 1094 G HA3 -0.380 3.581 3.960 0.002 0.000 0.244 1094 G C 0.364 175.260 174.900 -0.007 0.000 0.982 1094 G CA 0.370 45.386 45.100 -0.139 0.000 0.641 1094 G HN 0.566 nan 8.290 nan 0.000 0.527 1095 Y N -0.339 119.851 120.300 -0.183 0.000 2.181 1095 Y HA 0.168 4.720 4.550 0.002 0.000 0.288 1095 Y C 1.339 177.267 175.900 0.047 0.000 1.146 1095 Y CA 2.053 60.088 58.100 -0.108 0.000 1.164 1095 Y CB 0.190 38.451 38.460 -0.332 0.000 0.982 1095 Y HN 0.362 nan 8.280 nan 0.000 0.515 1096 W N 4.613 125.832 121.300 -0.136 0.000 2.319 1096 W HA 0.311 4.971 4.660 0.001 0.000 0.288 1096 W C -2.975 173.489 176.519 -0.092 0.000 0.959 1096 W CA -2.236 55.026 57.345 -0.139 0.000 1.784 1096 W CB 0.791 30.132 29.460 -0.199 0.000 1.848 1096 W HN -0.029 nan 8.180 nan 0.000 0.408 1097 P HA 0.110 nan 4.420 nan 0.000 0.271 1097 P C -0.401 176.867 177.300 -0.053 0.000 1.216 1097 P CA 0.297 63.453 63.100 0.093 0.000 0.776 1097 P CB 1.826 33.729 31.700 0.337 0.000 0.881 1098 L N 4.408 125.632 121.223 0.001 0.000 2.307 1098 L HA 0.578 4.919 4.340 0.002 0.000 0.282 1098 L C 0.298 177.164 176.870 -0.007 0.000 1.051 1098 L CA -0.612 54.168 54.840 -0.100 0.000 0.804 1098 L CB 0.334 42.428 42.059 0.059 0.000 1.197 1098 L HN 0.457 nan 8.230 nan 0.000 0.431 1099 F N 0.420 120.358 119.950 -0.020 0.000 2.773 1099 F HA 0.741 5.269 4.527 0.001 0.000 0.314 1099 F C -1.157 174.554 175.800 -0.149 0.000 1.160 1099 F CA -1.401 56.492 58.000 -0.179 0.000 0.920 1099 F CB 1.577 40.417 39.000 -0.266 0.000 1.323 1099 F HN 0.223 nan 8.300 nan 0.000 0.457 1100 R N 0.603 121.101 120.500 -0.003 0.000 2.564 1100 R HA 0.406 4.747 4.340 0.002 0.000 0.284 1100 R C -2.399 173.807 176.300 -0.156 0.000 1.031 1100 R CA -0.883 55.164 56.100 -0.088 0.000 0.904 1100 R CB 2.572 32.819 30.300 -0.089 0.000 1.199 1100 R HN 0.831 nan 8.270 nan 0.000 0.443 1101 Y N 2.445 122.564 120.300 -0.302 0.000 2.402 1101 Y HA 0.259 4.810 4.550 0.001 0.000 0.332 1101 Y C -0.950 174.671 175.900 -0.465 0.000 0.960 1101 Y CA -0.626 57.357 58.100 -0.196 0.000 1.228 1101 Y CB 1.059 39.505 38.460 -0.024 0.000 1.120 1101 Y HN 0.455 nan 8.280 nan 0.000 0.491 1102 D N 8.535 128.624 120.400 -0.519 0.000 2.461 1102 D HA 0.309 4.950 4.640 0.002 0.000 0.240 1102 D C -2.167 173.979 176.300 -0.258 0.000 1.094 1102 D CA -2.477 51.353 54.000 -0.284 0.000 0.868 1102 D CB 2.185 42.973 40.800 -0.019 0.000 1.062 1102 D HN 0.309 nan 8.370 nan 0.000 0.530 1103 P HA -0.107 nan 4.420 nan 0.000 0.218 1103 P C 1.183 178.575 177.300 0.154 0.000 1.146 1103 P CA 0.955 64.099 63.100 0.074 0.000 0.813 1103 P CB 0.334 32.204 31.700 0.284 0.000 0.778 1104 R N -0.919 119.695 120.500 0.190 0.000 2.120 1104 R HA -0.068 4.273 4.340 0.002 0.000 0.234 1104 R C 2.213 178.566 176.300 0.089 0.000 1.123 1104 R CA 1.000 57.211 56.100 0.184 0.000 0.975 1104 R CB -0.844 29.585 30.300 0.215 0.000 0.866 1104 R HN 0.269 nan 8.270 nan 0.000 0.446 1105 L N -0.254 120.976 121.223 0.011 0.000 2.056 1105 L HA -0.108 4.233 4.340 0.002 0.000 0.207 1105 L C 2.612 179.461 176.870 -0.036 0.000 1.078 1105 L CA 1.077 55.886 54.840 -0.050 0.000 0.749 1105 L CB -0.561 41.406 42.059 -0.153 0.000 0.901 1105 L HN 0.246 nan 8.230 nan 0.000 0.433 1106 A N 0.163 122.981 122.820 -0.003 0.000 1.933 1106 A HA -0.158 4.162 4.320 0.002 0.000 0.218 1106 A C 2.496 180.238 177.584 0.263 0.000 1.175 1106 A CA 1.632 53.782 52.037 0.187 0.000 0.628 1106 A CB -0.581 18.613 19.000 0.323 0.000 0.814 1106 A HN 0.403 nan 8.150 nan 0.000 0.444 1107 A N -0.821 122.118 122.820 0.198 0.000 2.015 1107 A HA -0.147 4.174 4.320 0.002 0.000 0.219 1107 A C 1.914 179.578 177.584 0.133 0.000 1.163 1107 A CA 1.421 53.562 52.037 0.173 0.000 0.646 1107 A CB -0.385 18.697 19.000 0.137 0.000 0.806 1107 A HN 0.659 nan 8.150 nan 0.000 0.448 1108 Q N -1.447 118.418 119.800 0.109 0.000 2.365 1108 Q HA 0.285 4.626 4.340 0.002 0.000 0.203 1108 Q C 0.978 177.037 176.000 0.099 0.000 0.929 1108 Q CA 0.273 56.125 55.803 0.082 0.000 0.948 1108 Q CB 0.148 28.916 28.738 0.049 0.000 1.043 1108 Q HN 0.822 nan 8.270 nan 0.000 0.505 1109 G N 1.449 110.350 108.800 0.168 0.000 2.148 1109 G HA2 -0.289 3.672 3.960 0.002 0.000 0.254 1109 G HA3 -0.289 3.672 3.960 0.002 0.000 0.254 1109 G C -0.105 174.942 174.900 0.246 0.000 0.981 1109 G CA 0.219 45.464 45.100 0.242 0.000 0.670 1109 G HN 0.235 nan 8.290 nan 0.000 0.528 1110 K N -0.267 120.150 120.400 0.028 0.000 2.238 1110 K HA 0.422 4.743 4.320 0.002 0.000 0.239 1110 K C -0.083 175.997 176.600 -0.867 0.000 0.987 1110 K CA -1.083 55.061 56.287 -0.239 0.000 0.857 1110 K CB 0.824 33.230 32.500 -0.156 0.000 1.154 1110 K HN 0.049 nan 8.250 nan 0.000 0.439 1111 N N 3.020 121.149 118.700 -0.950 0.000 2.452 1111 N HA 0.018 4.759 4.740 0.002 0.000 0.266 1111 N C -1.672 173.454 175.510 -0.641 0.000 1.209 1111 N CA -1.532 50.839 53.050 -1.131 0.000 0.929 1111 N CB 0.816 38.983 38.487 -0.533 0.000 1.063 1111 N HN 0.334 nan 8.380 nan 0.000 0.472 1112 P HA -0.086 nan 4.420 nan 0.000 0.221 1112 P C 0.279 177.270 177.300 -0.515 0.000 1.150 1112 P CA 0.594 63.329 63.100 -0.608 0.000 0.800 1112 P CB 0.100 31.239 31.700 -0.934 0.000 0.787 1113 F N 1.867 121.552 119.950 -0.442 0.000 2.420 1113 F HA 0.290 4.818 4.527 0.001 0.000 0.352 1113 F C 0.120 175.829 175.800 -0.151 0.000 1.108 1113 F CA -0.286 57.599 58.000 -0.192 0.000 1.162 1113 F CB 0.529 39.498 39.000 -0.051 0.000 1.118 1113 F HN -0.167 nan 8.300 nan 0.000 0.510 1114 Q N 6.321 125.633 119.800 -0.813 0.000 2.321 1114 Q HA 0.435 4.776 4.340 0.002 0.000 0.270 1114 Q C -1.249 174.337 176.000 -0.690 0.000 1.032 1114 Q CA -0.739 54.726 55.803 -0.563 0.000 0.784 1114 Q CB 2.736 31.303 28.738 -0.285 0.000 1.264 1114 Q HN 0.671 nan 8.270 nan 0.000 0.448 1115 L N 2.906 123.868 121.223 -0.436 0.000 2.265 1115 L HA 0.233 4.574 4.340 0.002 0.000 0.288 1115 L C -0.042 176.807 176.870 -0.035 0.000 1.058 1115 L CA -0.011 54.699 54.840 -0.217 0.000 0.809 1115 L CB 0.821 42.812 42.059 -0.114 0.000 1.179 1115 L HN 0.777 nan 8.230 nan 0.000 0.429 1116 D N 0.945 121.374 120.400 0.049 0.000 2.379 1116 D HA 0.055 4.696 4.640 0.002 0.000 0.208 1116 D C 0.568 176.999 176.300 0.219 0.000 1.065 1116 D CA 0.305 54.380 54.000 0.124 0.000 0.848 1116 D CB 0.697 41.580 40.800 0.138 0.000 0.949 1116 D HN 0.537 nan 8.370 nan 0.000 0.509 1117 S N -0.628 115.200 115.700 0.213 0.000 2.715 1117 S HA 0.616 5.087 4.470 0.002 0.000 0.307 1117 S C -0.083 174.704 174.600 0.312 0.000 1.119 1117 S CA -0.840 57.484 58.200 0.207 0.000 0.937 1117 S CB 2.741 65.931 63.200 -0.015 0.000 1.150 1117 S HN -0.300 nan 8.310 nan 0.000 0.521 1118 K N 0.222 120.734 120.400 0.186 0.000 2.211 1118 K HA 0.719 5.040 4.320 0.002 0.000 0.237 1118 K C 0.157 176.523 176.600 -0.391 0.000 1.002 1118 K CA -0.792 55.565 56.287 0.115 0.000 0.885 1118 K CB 1.290 33.830 32.500 0.067 0.000 1.136 1118 K HN 0.892 nan 8.250 nan 0.000 0.448 1119 A N 2.087 124.578 122.820 -0.547 0.000 2.555 1119 A HA 0.178 4.499 4.320 0.002 0.000 0.233 1119 A C -2.036 175.143 177.584 -0.675 0.000 1.060 1119 A CA -0.562 50.832 52.037 -1.072 0.000 0.759 1119 A CB -0.959 17.830 19.000 -0.352 0.000 0.995 1119 A HN 0.340 nan 8.150 nan 0.000 0.506 1120 P HA -0.027 nan 4.420 nan 0.000 0.260 1120 P C -0.172 177.005 177.300 -0.205 0.000 1.172 1120 P CA 0.715 63.615 63.100 -0.333 0.000 0.760 1120 P CB 0.436 31.995 31.700 -0.235 0.000 0.773 1121 D N 2.350 122.661 120.400 -0.150 0.000 2.340 1121 D HA 0.063 4.704 4.640 0.002 0.000 0.220 1121 D C 1.319 177.583 176.300 -0.061 0.000 1.039 1121 D CA 0.498 54.444 54.000 -0.090 0.000 0.866 1121 D CB -0.546 40.217 40.800 -0.063 0.000 0.913 1121 D HN 0.532 nan 8.370 nan 0.000 0.523 1122 G N 0.186 108.948 108.800 -0.064 0.000 2.157 1122 G HA2 -0.308 3.653 3.960 0.002 0.000 0.248 1122 G HA3 -0.308 3.653 3.960 0.002 0.000 0.248 1122 G C 0.881 175.767 174.900 -0.023 0.000 0.979 1122 G CA 0.568 45.646 45.100 -0.037 0.000 0.650 1122 G HN 0.710 nan 8.290 nan 0.000 0.529 1123 S N -0.967 114.716 115.700 -0.028 0.000 2.577 1123 S HA 0.388 4.858 4.470 0.002 0.000 0.219 1123 S C 1.942 176.549 174.600 0.012 0.000 0.962 1123 S CA 1.000 59.197 58.200 -0.005 0.000 0.921 1123 S CB 1.069 64.268 63.200 -0.002 0.000 0.789 1123 S HN 1.123 nan 8.310 nan 0.000 0.497 1124 V N 1.996 121.905 119.914 -0.007 0.000 2.332 1124 V HA -0.217 3.904 4.120 0.002 0.000 0.248 1124 V C 2.644 178.760 176.094 0.037 0.000 1.055 1124 V CA 2.758 65.070 62.300 0.019 0.000 1.038 1124 V CB -0.576 31.254 31.823 0.011 0.000 0.651 1124 V HN 0.659 nan 8.190 nan 0.000 0.450 1125 E N 0.562 120.767 120.200 0.008 0.000 2.058 1125 E HA -0.273 4.078 4.350 0.002 0.000 0.194 1125 E C 2.038 178.631 176.600 -0.012 0.000 0.997 1125 E CA 2.382 58.774 56.400 -0.013 0.000 0.801 1125 E CB -0.434 29.264 29.700 -0.003 0.000 0.746 1125 E HN 0.779 nan 8.360 nan 0.000 0.450 1126 E N -0.813 119.397 120.200 0.016 0.000 2.077 1126 E HA -0.157 4.194 4.350 0.002 0.000 0.193 1126 E C 1.900 178.514 176.600 0.023 0.000 0.989 1126 E CA 0.991 57.402 56.400 0.019 0.000 0.800 1126 E CB -0.360 29.359 29.700 0.032 0.000 0.746 1126 E HN 0.331 nan 8.360 nan 0.000 0.452 1127 F N 1.719 121.602 119.950 -0.113 0.000 2.069 1127 F HA -0.222 4.305 4.527 0.000 0.000 0.298 1127 F C 1.863 177.550 175.800 -0.189 0.000 1.113 1127 F CA 1.475 59.383 58.000 -0.153 0.000 1.214 1127 F CB -0.235 38.634 39.000 -0.220 0.000 0.978 1127 F HN -0.095 nan 8.300 nan 0.000 0.474 1128 L N -0.570 120.456 121.223 -0.328 0.000 2.017 1128 L HA -0.248 4.093 4.340 0.002 0.000 0.208 1128 L C 2.472 179.221 176.870 -0.202 0.000 1.073 1128 L CA 1.092 55.591 54.840 -0.567 0.000 0.745 1128 L CB -0.754 40.891 42.059 -0.690 0.000 0.894 1128 L HN 0.175 nan 8.230 nan 0.000 0.432 1129 M N -0.345 119.188 119.600 -0.111 0.000 2.549 1129 M HA -0.062 4.419 4.480 0.002 0.000 0.260 1129 M C 2.099 178.382 176.300 -0.029 0.000 1.076 1129 M CA 1.029 56.315 55.300 -0.025 0.000 1.090 1129 M CB -1.178 31.414 32.600 -0.014 0.000 1.418 1129 M HN 0.263 nan 8.290 nan 0.000 0.486 1130 A N -0.276 122.496 122.820 -0.080 0.000 2.251 1130 A HA 0.060 4.381 4.320 0.002 0.000 0.209 1130 A C 0.643 178.180 177.584 -0.077 0.000 1.187 1130 A CA 0.155 52.149 52.037 -0.071 0.000 0.823 1130 A CB -0.098 18.855 19.000 -0.078 0.000 0.846 1130 A HN 0.514 nan 8.150 nan 0.000 0.486 1131 Q N -0.858 118.907 119.800 -0.059 0.000 2.330 1131 Q HA 0.250 4.591 4.340 0.002 0.000 0.269 1131 Q C 0.001 176.006 176.000 0.009 0.000 1.022 1131 Q CA -0.623 55.162 55.803 -0.030 0.000 0.796 1131 Q CB 1.444 30.170 28.738 -0.019 0.000 1.271 1131 Q HN 0.326 nan 8.270 nan 0.000 0.450 1132 N N 1.927 120.609 118.700 -0.030 0.000 2.289 1132 N HA -0.191 4.550 4.740 0.002 0.000 0.184 1132 N C 1.452 176.917 175.510 -0.075 0.000 1.016 1132 N CA 1.422 54.452 53.050 -0.035 0.000 0.872 1132 N CB 0.250 38.712 38.487 -0.042 0.000 0.973 1132 N HN 0.535 nan 8.380 nan 0.000 0.433 1133 R N -1.451 118.949 120.500 -0.167 0.000 2.241 1133 R HA -0.087 4.254 4.340 0.002 0.000 0.224 1133 R C 1.014 177.056 176.300 -0.429 0.000 1.101 1133 R CA 1.279 57.183 56.100 -0.327 0.000 0.995 1133 R CB -0.498 29.520 30.300 -0.469 0.000 0.870 1133 R HN 0.282 nan 8.270 nan 0.000 0.463 1134 F N 0.359 120.290 119.950 -0.033 0.000 2.490 1134 F HA 0.371 4.900 4.527 0.002 0.000 0.280 1134 F C 2.683 178.479 175.800 -0.005 0.000 1.030 1134 F CA 0.236 58.227 58.000 -0.014 0.000 1.367 1134 F CB -0.198 38.779 39.000 -0.039 0.000 1.131 1134 F HN 0.032 nan 8.300 nan 0.000 0.632 1135 A N -0.057 122.861 122.820 0.163 0.000 1.940 1135 A HA -0.169 4.152 4.320 0.002 0.000 0.219 1135 A C 2.258 179.876 177.584 0.056 0.000 1.176 1135 A CA 1.830 53.919 52.037 0.087 0.000 0.631 1135 A CB -1.228 17.800 19.000 0.046 0.000 0.814 1135 A HN 0.246 nan 8.150 nan 0.000 0.446 1136 V N -0.573 119.362 119.914 0.035 0.000 2.469 1136 V HA -0.202 3.919 4.120 0.002 0.000 0.251 1136 V C 2.321 178.446 176.094 0.051 0.000 1.064 1136 V CA 2.242 64.553 62.300 0.019 0.000 1.066 1136 V CB -0.355 31.466 31.823 -0.003 0.000 0.667 1136 V HN 0.560 nan 8.190 nan 0.000 0.461 1137 L N 0.340 121.622 121.223 0.098 0.000 2.109 1137 L HA -0.087 4.254 4.340 0.002 0.000 0.207 1137 L C 2.112 179.074 176.870 0.153 0.000 1.086 1137 L CA 2.572 57.521 54.840 0.181 0.000 0.760 1137 L CB -0.777 41.394 42.059 0.187 0.000 0.910 1137 L HN 0.471 nan 8.230 nan 0.000 0.437 1138 D N -0.942 119.523 120.400 0.109 0.000 2.178 1138 D HA -0.184 4.457 4.640 0.002 0.000 0.201 1138 D C 2.219 178.537 176.300 0.029 0.000 0.980 1138 D CA 1.163 55.210 54.000 0.078 0.000 0.842 1138 D CB 0.115 40.955 40.800 0.066 0.000 0.948 1138 D HN 0.266 nan 8.370 nan 0.000 0.472 1139 R N -0.575 119.928 120.500 0.004 0.000 2.119 1139 R HA 0.087 4.428 4.340 0.002 0.000 0.222 1139 R C 2.064 178.294 176.300 -0.117 0.000 1.088 1139 R CA 0.966 57.041 56.100 -0.042 0.000 0.984 1139 R CB 0.119 30.397 30.300 -0.037 0.000 0.884 1139 R HN 0.101 nan 8.270 nan 0.000 0.447 1140 S N -0.211 115.382 115.700 -0.179 0.000 2.460 1140 S HA 0.135 4.606 4.470 0.002 0.000 0.226 1140 S C 0.218 174.344 174.600 -0.790 0.000 1.057 1140 S CA 0.485 58.378 58.200 -0.511 0.000 0.948 1140 S CB 0.356 63.191 63.200 -0.609 0.000 0.822 1140 S HN 0.113 nan 8.310 nan 0.000 0.512 1141 F N 1.842 121.802 119.950 0.016 0.000 2.584 1141 F HA 0.371 4.899 4.527 0.001 0.000 0.328 1141 F C -1.944 173.870 175.800 0.024 0.000 1.407 1141 F CA -2.110 55.902 58.000 0.019 0.000 1.145 1141 F CB 1.110 40.123 39.000 0.022 0.000 1.440 1141 F HN -0.002 nan 8.300 nan 0.000 0.580 1142 P HA -0.234 nan 4.420 nan 0.000 0.216 1142 P C 0.987 178.342 177.300 0.091 0.000 1.154 1142 P CA 1.854 65.002 63.100 0.080 0.000 0.865 1142 P CB 0.474 32.196 31.700 0.036 0.000 0.789 1143 E N -0.288 119.970 120.200 0.097 0.000 2.031 1143 E HA -0.168 4.183 4.350 0.002 0.000 0.193 1143 E C 1.932 178.583 176.600 0.084 0.000 0.994 1143 E CA 1.242 57.690 56.400 0.080 0.000 0.800 1143 E CB -0.418 29.326 29.700 0.074 0.000 0.752 1143 E HN 0.226 nan 8.360 nan 0.000 0.447 1144 D N 0.425 120.892 120.400 0.111 0.000 2.117 1144 D HA -0.117 4.524 4.640 0.002 0.000 0.197 1144 D C 1.870 178.225 176.300 0.091 0.000 0.987 1144 D CA 1.309 55.359 54.000 0.084 0.000 0.829 1144 D CB -0.333 40.504 40.800 0.061 0.000 0.961 1144 D HN 0.162 nan 8.370 nan 0.000 0.460 1145 A N 1.020 123.915 122.820 0.125 0.000 1.883 1145 A HA -0.255 4.066 4.320 0.002 0.000 0.217 1145 A C 2.062 179.703 177.584 0.094 0.000 1.186 1145 A CA 2.009 54.121 52.037 0.125 0.000 0.624 1145 A CB -0.606 18.478 19.000 0.140 0.000 0.822 1145 A HN 0.189 nan 8.150 nan 0.000 0.444 1146 K N -0.561 119.885 120.400 0.076 0.000 2.074 1146 K HA -0.220 4.101 4.320 0.002 0.000 0.209 1146 K C 2.355 178.986 176.600 0.051 0.000 1.048 1146 K CA 1.754 58.074 56.287 0.056 0.000 0.926 1146 K CB -0.221 32.307 32.500 0.047 0.000 0.713 1146 K HN 0.455 nan 8.250 nan 0.000 0.444 1147 R N 0.500 121.031 120.500 0.052 0.000 2.075 1147 R HA -0.074 4.267 4.340 0.002 0.000 0.232 1147 R C 2.378 178.708 176.300 0.050 0.000 1.126 1147 R CA 1.295 57.420 56.100 0.042 0.000 0.963 1147 R CB -0.168 30.153 30.300 0.036 0.000 0.858 1147 R HN 0.225 nan 8.270 nan 0.000 0.435 1148 L N -0.065 121.199 121.223 0.068 0.000 2.156 1148 L HA -0.083 4.258 4.340 0.002 0.000 0.208 1148 L C 2.595 179.522 176.870 0.094 0.000 1.095 1148 L CA 1.098 55.990 54.840 0.087 0.000 0.770 1148 L CB -0.283 41.843 42.059 0.111 0.000 0.914 1148 L HN 0.149 nan 8.230 nan 0.000 0.439 1149 R N -0.078 120.467 120.500 0.076 0.000 2.115 1149 R HA -0.040 4.301 4.340 0.002 0.000 0.226 1149 R C 2.393 178.720 176.300 0.044 0.000 1.100 1149 R CA 1.113 57.236 56.100 0.039 0.000 0.980 1149 R CB -0.318 29.989 30.300 0.012 0.000 0.875 1149 R HN 0.324 nan 8.270 nan 0.000 0.445 1150 A N 0.911 123.762 122.820 0.050 0.000 1.929 1150 A HA -0.192 4.129 4.320 0.002 0.000 0.216 1150 A C 2.070 179.702 177.584 0.080 0.000 1.176 1150 A CA 0.992 53.062 52.037 0.055 0.000 0.628 1150 A CB -0.350 18.674 19.000 0.040 0.000 0.816 1150 A HN 0.301 nan 8.150 nan 0.000 0.444 1151 Q N -0.231 119.613 119.800 0.074 0.000 2.084 1151 Q HA -0.128 4.213 4.340 0.002 0.000 0.202 1151 Q C 1.965 178.043 176.000 0.129 0.000 0.978 1151 Q CA 1.875 57.730 55.803 0.088 0.000 0.844 1151 Q CB -0.183 28.595 28.738 0.067 0.000 0.898 1151 Q HN 0.412 nan 8.270 nan 0.000 0.426 1152 V N 0.908 120.894 119.914 0.119 0.000 2.343 1152 V HA -0.284 3.837 4.120 0.002 0.000 0.247 1152 V C 2.348 178.517 176.094 0.125 0.000 1.051 1152 V CA 1.782 64.164 62.300 0.136 0.000 1.036 1152 V CB -1.013 30.900 31.823 0.150 0.000 0.654 1152 V HN 0.510 nan 8.190 nan 0.000 0.451 1153 A N -0.944 121.939 122.820 0.105 0.000 1.908 1153 A HA -0.302 4.019 4.320 0.002 0.000 0.218 1153 A C 2.269 179.906 177.584 0.088 0.000 1.181 1153 A CA 2.064 54.151 52.037 0.084 0.000 0.627 1153 A CB -0.856 18.183 19.000 0.065 0.000 0.818 1153 A HN 0.705 nan 8.150 nan 0.000 0.445 1154 H N -0.173 118.916 119.070 0.031 0.000 2.389 1154 H HA -0.059 4.498 4.556 0.001 0.000 0.299 1154 H C 1.900 177.244 175.328 0.027 0.000 1.081 1154 H CA 1.733 57.796 56.048 0.025 0.000 1.345 1154 H CB 0.023 29.797 29.762 0.020 0.000 1.393 1154 H HN 0.662 nan 8.280 nan 0.000 0.520 1155 E N 0.418 120.687 120.200 0.115 0.000 2.058 1155 E HA -0.180 4.171 4.350 0.002 0.000 0.194 1155 E C 2.481 179.077 176.600 -0.006 0.000 0.997 1155 E CA 1.540 57.975 56.400 0.058 0.000 0.801 1155 E CB -0.091 29.659 29.700 0.084 0.000 0.746 1155 E HN 0.459 nan 8.360 nan 0.000 0.450 1156 L N -0.121 121.110 121.223 0.014 0.000 2.201 1156 L HA -0.022 4.319 4.340 0.002 0.000 0.212 1156 L C 1.828 178.709 176.870 0.018 0.000 1.105 1156 L CA 1.845 56.696 54.840 0.019 0.000 0.775 1156 L CB -0.462 41.620 42.059 0.038 0.000 0.913 1156 L HN -0.090 nan 8.230 nan 0.000 0.440 1157 D N 0.436 120.808 120.400 -0.046 0.000 2.084 1157 D HA -0.162 4.479 4.640 0.002 0.000 0.196 1157 D C 2.004 178.264 176.300 -0.067 0.000 0.985 1157 D CA 1.637 55.598 54.000 -0.066 0.000 0.826 1157 D CB -0.023 40.691 40.800 -0.144 0.000 0.978 1157 D HN 0.130 nan 8.370 nan 0.000 0.456 1158 V N 0.351 120.160 119.914 -0.176 0.000 2.295 1158 V HA -0.204 3.917 4.120 0.002 0.000 0.246 1158 V C 2.652 178.708 176.094 -0.064 0.000 1.049 1158 V CA 2.037 64.251 62.300 -0.144 0.000 1.024 1158 V CB -0.641 31.079 31.823 -0.172 0.000 0.648 1158 V HN 0.206 nan 8.190 nan 0.000 0.447 1159 R N -0.709 119.767 120.500 -0.040 0.000 2.091 1159 R HA -0.206 4.135 4.340 0.002 0.000 0.238 1159 R C 2.217 178.507 176.300 -0.018 0.000 1.136 1159 R CA 2.008 58.084 56.100 -0.039 0.000 0.959 1159 R CB -0.448 29.836 30.300 -0.027 0.000 0.856 1159 R HN 0.446 nan 8.270 nan 0.000 0.437 1160 F N 1.421 121.334 119.950 -0.062 0.000 2.171 1160 F HA -0.138 4.391 4.527 0.003 0.000 0.300 1160 F C 1.874 177.660 175.800 -0.024 0.000 1.090 1160 F CA 1.656 59.638 58.000 -0.029 0.000 1.293 1160 F CB 0.051 39.038 39.000 -0.022 0.000 1.013 1160 F HN -0.048 nan 8.300 nan 0.000 0.486 1161 K N 0.007 120.454 120.400 0.079 0.000 2.097 1161 K HA -0.189 4.132 4.320 0.002 0.000 0.206 1161 K C 1.916 178.478 176.600 -0.064 0.000 1.049 1161 K CA 1.822 58.117 56.287 0.015 0.000 0.933 1161 K CB -0.252 32.251 32.500 0.006 0.000 0.717 1161 K HN 0.393 nan 8.250 nan 0.000 0.442 1162 E N 0.739 120.879 120.200 -0.100 0.000 2.106 1162 E HA -0.136 4.215 4.350 0.002 0.000 0.192 1162 E C 1.995 178.484 176.600 -0.184 0.000 0.984 1162 E CA 0.772 57.101 56.400 -0.118 0.000 0.806 1162 E CB -0.010 29.602 29.700 -0.146 0.000 0.750 1162 E HN 0.239 nan 8.360 nan 0.000 0.458 1163 L N 0.842 121.898 121.223 -0.277 0.000 2.109 1163 L HA -0.148 4.192 4.340 0.002 0.000 0.207 1163 L C 2.266 179.028 176.870 -0.180 0.000 1.086 1163 L CA 1.058 55.691 54.840 -0.345 0.000 0.760 1163 L CB -0.328 41.518 42.059 -0.355 0.000 0.910 1163 L HN 0.117 nan 8.230 nan 0.000 0.437 1164 E N -0.699 119.365 120.200 -0.226 0.000 2.077 1164 E HA -0.279 4.072 4.350 0.002 0.000 0.193 1164 E C 2.044 178.644 176.600 -0.000 0.000 0.989 1164 E CA 1.310 57.647 56.400 -0.105 0.000 0.800 1164 E CB -0.150 29.512 29.700 -0.063 0.000 0.746 1164 E HN 0.462 nan 8.360 nan 0.000 0.452 1165 H N 0.543 119.547 119.070 -0.110 0.000 2.353 1165 H HA -0.031 4.525 4.556 0.001 0.000 0.300 1165 H C 1.969 177.240 175.328 -0.094 0.000 1.090 1165 H CA 1.615 57.610 56.048 -0.089 0.000 1.327 1165 H CB 0.015 29.714 29.762 -0.106 0.000 1.383 1165 H HN 0.051 nan 8.280 nan 0.000 0.508 1166 M N -0.722 118.752 119.600 -0.210 0.000 2.159 1166 M HA -0.108 4.373 4.480 0.002 0.000 0.263 1166 M C 2.522 178.788 176.300 -0.057 0.000 1.063 1166 M CA 1.476 56.588 55.300 -0.314 0.000 1.110 1166 M CB -0.155 31.981 32.600 -0.774 0.000 1.374 1166 M HN 0.465 nan 8.290 nan 0.000 0.411 1167 A N -0.122 122.776 122.820 0.130 0.000 1.968 1167 A HA 0.105 4.426 4.320 0.002 0.000 0.217 1167 A C 2.213 179.812 177.584 0.026 0.000 1.169 1167 A CA 1.572 53.713 52.037 0.173 0.000 0.638 1167 A CB -0.569 18.513 19.000 0.137 0.000 0.812 1167 A HN 0.489 nan 8.150 nan 0.000 0.446 1168 A N -1.329 121.481 122.820 -0.016 0.000 2.132 1168 A HA 0.232 4.553 4.320 0.002 0.000 0.213 1168 A C 1.472 179.029 177.584 -0.045 0.000 1.154 1168 A CA 1.030 53.055 52.037 -0.020 0.000 0.753 1168 A CB -0.729 18.273 19.000 0.004 0.000 0.826 1168 A HN 0.367 nan 8.150 nan 0.000 0.469 1169 T N 1.314 115.799 114.554 -0.116 0.000 2.906 1169 T HA 0.074 4.425 4.350 0.002 0.000 0.320 1169 T C 1.152 175.883 174.700 0.052 0.000 1.088 1169 T CA 0.579 62.617 62.100 -0.104 0.000 1.120 1169 T CB 0.082 68.838 68.868 -0.187 0.000 1.000 1169 T HN 0.597 nan 8.240 nan 0.000 0.550 1170 N N 3.789 122.534 118.700 0.074 0.000 2.205 1170 N HA 0.056 4.797 4.740 0.002 0.000 0.201 1170 N C 0.219 175.804 175.510 0.124 0.000 1.128 1170 N CA -0.192 52.956 53.050 0.164 0.000 0.867 1170 N CB 0.182 38.714 38.487 0.076 0.000 0.996 1170 N HN 0.632 nan 8.380 nan 0.000 0.503 1171 I N 1.065 121.674 120.570 0.064 0.000 2.354 1171 I HA 0.451 4.621 4.170 0.002 0.000 0.286 1171 I C -1.545 174.584 176.117 0.021 0.000 1.007 1171 I CA -0.955 60.281 61.300 -0.107 0.000 1.167 1171 I CB 0.304 38.245 38.000 -0.099 0.000 1.320 1171 I HN -0.104 nan 8.210 nan 0.000 0.458 1172 F N 3.716 123.644 119.950 -0.037 0.000 2.640 1172 F HA 0.568 5.096 4.527 0.002 0.000 0.324 1172 F C -0.445 175.347 175.800 -0.015 0.000 1.077 1172 F CA -1.362 56.632 58.000 -0.011 0.000 0.965 1172 F CB 0.611 39.615 39.000 0.008 0.000 1.351 1172 F HN 0.277 nan 8.300 nan 0.000 0.487 1173 E N 1.773 122.095 120.200 0.202 0.000 1.944 1173 E HA 0.303 4.654 4.350 0.002 0.000 0.272 1173 E C -0.518 176.110 176.600 0.048 0.000 1.195 1173 E CA -0.311 56.102 56.400 0.022 0.000 0.926 1173 E CB 0.350 30.081 29.700 0.051 0.000 1.051 1173 E HN 0.673 nan 8.360 nan 0.000 0.404 1174 S N 2.215 117.852 115.700 -0.106 0.000 2.681 1174 S HA 0.641 5.112 4.470 0.002 0.000 0.299 1174 S C -0.461 174.031 174.600 -0.181 0.000 1.113 1174 S CA -0.858 57.376 58.200 0.057 0.000 1.013 1174 S CB 0.900 64.117 63.200 0.027 0.000 1.076 1174 S HN 0.221 nan 8.310 nan 0.000 0.534 1175 F N 0.184 120.190 119.950 0.095 0.000 2.546 1175 F HA 0.756 5.284 4.527 0.001 0.000 0.320 1175 F C 0.791 176.618 175.800 0.046 0.000 1.076 1175 F CA -0.880 57.165 58.000 0.075 0.000 0.928 1175 F CB 1.497 40.554 39.000 0.095 0.000 1.189 1175 F HN 0.939 nan 8.300 nan 0.000 0.465 1176 A N 3.234 126.167 122.820 0.188 0.000 2.346 1176 A HA 0.373 4.694 4.320 0.002 0.000 0.255 1176 A C -1.053 176.600 177.584 0.116 0.000 1.113 1176 A CA -0.741 51.361 52.037 0.109 0.000 0.798 1176 A CB -0.629 18.412 19.000 0.068 0.000 1.073 1176 A HN 0.676 nan 8.150 nan 0.000 0.502 1177 P HA -0.047 nan 4.420 nan 0.000 0.209 1177 P C 0.534 177.862 177.300 0.046 0.000 1.167 1177 P CA 2.574 65.706 63.100 0.053 0.000 0.941 1177 P CB -0.049 31.672 31.700 0.034 0.000 0.787 1178 A N -2.799 120.043 122.820 0.037 0.000 2.645 1178 A HA 0.498 4.819 4.320 0.002 0.000 0.291 1178 A C 0.817 178.409 177.584 0.015 0.000 1.030 1178 A CA 0.029 52.079 52.037 0.021 0.000 0.566 1178 A CB -0.416 18.583 19.000 -0.003 0.000 1.527 1178 A HN 0.236 nan 8.150 nan 0.000 0.684 1179 G N -1.132 107.668 108.800 0.000 0.000 2.727 1179 G HA2 0.614 4.575 3.960 0.002 0.000 0.203 1179 G HA3 0.614 4.575 3.960 0.002 0.000 0.203 1179 G C 1.328 176.225 174.900 -0.004 0.000 1.117 1179 G CA 1.194 46.294 45.100 -0.000 0.000 0.817 1179 G HN 2.651 nan 8.290 nan 0.000 0.553 1180 G N -0.050 108.744 108.800 -0.011 0.000 2.663 1180 G HA2 -0.093 3.868 3.960 0.002 0.000 0.686 1180 G HA3 -0.093 3.868 3.960 0.002 0.000 0.686 1180 G C -0.502 174.391 174.900 -0.012 0.000 1.246 1180 G CA -0.572 44.522 45.100 -0.011 0.000 0.795 1180 G HN 0.477 nan 8.290 nan 0.000 0.627 1181 K N -0.101 120.293 120.400 -0.011 0.000 2.485 1181 K HA 0.469 4.790 4.320 0.002 0.000 0.277 1181 K C 0.492 177.089 176.600 -0.005 0.000 0.990 1181 K CA 0.791 57.073 56.287 -0.008 0.000 0.994 1181 K CB 0.861 33.358 32.500 -0.005 0.000 0.906 1181 K HN 1.408 nan 8.250 nan 0.000 0.488 1182 A N 2.900 125.718 122.820 -0.003 0.000 2.605 1182 A HA 0.133 4.454 4.320 0.002 0.000 0.293 1182 A C -1.186 176.398 177.584 0.001 0.000 1.216 1182 A CA -0.764 51.273 52.037 -0.001 0.000 0.742 1182 A CB 0.579 19.578 19.000 -0.001 0.000 1.170 1182 A HN 0.733 nan 8.150 nan 0.000 0.443 1183 D N 2.225 122.626 120.400 0.001 0.000 2.383 1183 D HA 0.480 5.121 4.640 0.002 0.000 0.245 1183 D C 0.894 177.195 176.300 0.001 0.000 1.263 1183 D CA 2.141 56.142 54.000 0.002 0.000 0.936 1183 D CB 0.084 40.885 40.800 0.001 0.000 1.053 1183 D HN 1.204 nan 8.370 nan 0.000 0.507 1184 G N 1.832 110.634 108.800 0.002 0.000 2.373 1184 G HA2 0.314 4.275 3.960 0.002 0.000 0.634 1184 G HA3 0.314 4.275 3.960 0.002 0.000 0.634 1184 G C -0.758 174.144 174.900 0.003 0.000 1.267 1184 G CA -0.338 44.763 45.100 0.002 0.000 1.008 1184 G HN 1.165 nan 8.290 nan 0.000 0.497 1185 S N -2.607 113.094 115.700 0.003 0.000 2.643 1185 S HA 0.893 5.364 4.470 0.002 0.000 0.270 1185 S C -1.326 173.276 174.600 0.004 0.000 1.166 1185 S CA 0.122 58.326 58.200 0.007 0.000 0.815 1185 S CB 1.759 64.965 63.200 0.010 0.000 1.139 1185 S HN 2.403 nan 8.310 nan 0.000 0.472 1186 V N 0.552 120.472 119.914 0.010 0.000 2.971 1186 V HA 0.636 4.757 4.120 0.002 0.000 0.309 1186 V C -1.612 174.484 176.094 0.003 0.000 1.130 1186 V CA -0.588 61.712 62.300 0.001 0.000 0.964 1186 V CB 2.001 33.828 31.823 0.006 0.000 1.029 1186 V HN 1.181 nan 8.190 nan 0.000 0.427 1187 D N 2.727 123.101 120.400 -0.043 0.000 2.302 1187 D HA 0.254 4.895 4.640 0.002 0.000 0.248 1187 D C 1.029 177.269 176.300 -0.100 0.000 1.094 1187 D CA 0.011 53.943 54.000 -0.113 0.000 0.897 1187 D CB 0.982 41.649 40.800 -0.223 0.000 1.200 1187 D HN 0.498 nan 8.370 nan 0.000 0.429 1188 F N 1.331 121.284 119.950 0.005 0.000 2.408 1188 F HA 0.160 4.688 4.527 0.002 0.000 0.300 1188 F C 1.683 177.490 175.800 0.012 0.000 1.090 1188 F CA 0.606 58.611 58.000 0.008 0.000 1.427 1188 F CB -0.559 38.445 39.000 0.007 0.000 1.070 1188 F HN 0.307 nan 8.300 nan 0.000 0.549 1189 G N -0.011 108.538 108.800 -0.420 0.000 2.939 1189 G HA2 -0.045 3.916 3.960 0.002 0.000 0.210 1189 G HA3 -0.045 3.916 3.960 0.002 0.000 0.210 1189 G C 0.222 175.062 174.900 -0.099 0.000 1.160 1189 G CA -0.249 44.731 45.100 -0.200 0.000 0.770 1189 G HN 0.450 nan 8.290 nan 0.000 0.543 1190 E N 0.739 120.879 120.200 -0.101 0.000 2.480 1190 E HA 0.313 4.664 4.350 0.002 0.000 0.258 1190 E C 1.404 177.993 176.600 -0.018 0.000 0.984 1190 E CA 0.439 56.805 56.400 -0.058 0.000 0.930 1190 E CB -0.046 29.623 29.700 -0.051 0.000 0.936 1190 E HN 0.263 nan 8.360 nan 0.000 0.466 1191 G N 2.830 111.619 108.800 -0.018 0.000 2.166 1191 G HA2 -0.341 3.620 3.960 0.002 0.000 0.260 1191 G HA3 -0.341 3.620 3.960 0.002 0.000 0.260 1191 G C 0.298 175.206 174.900 0.014 0.000 0.986 1191 G CA 0.220 45.318 45.100 -0.005 0.000 0.683 1191 G HN 0.832 nan 8.290 nan 0.000 0.527 1192 A N -0.334 122.502 122.820 0.026 0.000 2.407 1192 A HA 0.623 4.944 4.320 0.002 0.000 0.248 1192 A C 1.410 179.028 177.584 0.056 0.000 1.082 1192 A CA 0.698 52.775 52.037 0.067 0.000 0.785 1192 A CB 0.407 19.466 19.000 0.098 0.000 1.020 1192 A HN 0.250 nan 8.150 nan 0.000 0.489 1193 E N 0.718 120.981 120.200 0.104 0.000 2.072 1193 E HA -0.029 4.322 4.350 0.002 0.000 0.191 1193 E C -0.339 176.183 176.600 -0.130 0.000 0.985 1193 E CA 1.176 57.590 56.400 0.022 0.000 0.801 1193 E CB -0.161 29.633 29.700 0.157 0.000 0.750 1193 E HN 0.631 nan 8.360 nan 0.000 0.452 1194 F N -0.500 119.459 119.950 0.016 0.000 2.594 1194 F HA 0.277 4.805 4.527 0.002 0.000 0.335 1194 F C 0.506 176.320 175.800 0.023 0.000 1.058 1194 F CA -1.437 56.572 58.000 0.016 0.000 0.981 1194 F CB 0.592 39.602 39.000 0.017 0.000 1.289 1194 F HN -0.227 nan 8.300 nan 0.000 0.490 1195 c N 1.136 119.865 118.600 0.215 0.000 2.634 1195 c HA 0.246 4.817 4.570 0.002 0.000 0.417 1195 c C 1.591 175.773 174.090 0.154 0.000 1.334 1195 c CA 0.364 56.773 56.329 0.134 0.000 1.829 1195 c CB -0.447 42.127 42.510 0.106 0.000 2.665 1195 c HN 0.939 nan 8.230 nan 0.000 0.614 1196 T N -0.662 113.979 114.554 0.145 0.000 3.044 1196 T HA 0.226 4.577 4.350 0.002 0.000 0.260 1196 T C 0.418 175.266 174.700 0.247 0.000 1.019 1196 T CA -0.028 62.203 62.100 0.219 0.000 0.921 1196 T CB 0.206 69.261 68.868 0.312 0.000 1.053 1196 T HN 0.730 nan 8.240 nan 0.000 0.533 1197 R N 1.825 122.418 120.500 0.156 0.000 2.807 1197 R HA 0.538 4.879 4.340 0.002 0.000 0.276 1197 R C -1.072 175.277 176.300 0.082 0.000 0.979 1197 R CA -0.824 55.355 56.100 0.133 0.000 0.928 1197 R CB 1.442 31.802 30.300 0.101 0.000 1.191 1197 R HN 0.341 nan 8.270 nan 0.000 0.471 1198 D N -0.506 119.933 120.400 0.066 0.000 2.447 1198 D HA -0.002 4.639 4.640 0.002 0.000 0.265 1198 D C 0.106 176.427 176.300 0.036 0.000 1.250 1198 D CA -0.476 53.551 54.000 0.046 0.000 1.046 1198 D CB 0.402 41.223 40.800 0.035 0.000 1.095 1198 D HN 0.521 nan 8.370 nan 0.000 0.555 1199 D N -2.429 117.987 120.400 0.027 0.000 2.491 1199 D HA 0.113 4.754 4.640 0.002 0.000 0.228 1199 D C 0.141 176.450 176.300 0.016 0.000 1.183 1199 D CA -0.514 53.498 54.000 0.020 0.000 0.827 1199 D CB -0.592 40.219 40.800 0.018 0.000 0.989 1199 D HN 0.415 nan 8.370 nan 0.000 0.494 1200 T N -4.085 110.479 114.554 0.016 0.000 2.912 1200 T HA 0.446 4.797 4.350 0.002 0.000 0.280 1200 T C -1.709 172.996 174.700 0.008 0.000 0.989 1200 T CA -1.770 60.337 62.100 0.011 0.000 0.995 1200 T CB 1.761 70.635 68.868 0.011 0.000 1.077 1200 T HN -0.344 nan 8.240 nan 0.000 0.531 1201 P HA 0.072 nan 4.420 nan 0.000 0.220 1201 P C 1.560 178.858 177.300 -0.003 0.000 1.148 1201 P CA 1.030 64.128 63.100 -0.003 0.000 0.803 1201 P CB -0.093 31.601 31.700 -0.010 0.000 0.782 1202 M N -2.230 117.370 119.600 -0.000 0.000 2.229 1202 M HA -0.041 4.439 4.480 0.002 0.000 0.264 1202 M C 1.866 178.174 176.300 0.015 0.000 1.063 1202 M CA 1.623 56.924 55.300 0.002 0.000 1.114 1202 M CB -0.438 32.162 32.600 0.000 0.000 1.387 1202 M HN -0.074 nan 8.290 nan 0.000 0.420 1203 M N -0.500 119.114 119.600 0.024 0.000 2.441 1203 M HA 0.225 4.706 4.480 0.002 0.000 0.244 1203 M C 0.542 176.859 176.300 0.029 0.000 1.122 1203 M CA -0.327 54.998 55.300 0.041 0.000 1.041 1203 M CB 0.072 32.708 32.600 0.060 0.000 1.438 1203 M HN 0.091 nan 8.290 nan 0.000 0.484 1204 A N 2.169 124.997 122.820 0.014 0.000 2.546 1204 A HA 0.317 4.638 4.320 0.002 0.000 0.243 1204 A C 0.180 177.765 177.584 0.001 0.000 1.063 1204 A CA 0.407 52.447 52.037 0.005 0.000 0.757 1204 A CB 0.246 19.246 19.000 0.000 0.000 0.991 1204 A HN 0.324 nan 8.150 nan 0.000 0.503 1205 R N 1.810 122.305 120.500 -0.007 0.000 2.836 1205 R HA 0.381 4.722 4.340 0.002 0.000 0.269 1205 R C -2.299 173.990 176.300 -0.017 0.000 1.010 1205 R CA -1.958 54.135 56.100 -0.012 0.000 0.930 1205 R CB 0.490 30.778 30.300 -0.019 0.000 1.218 1205 R HN 0.359 nan 8.270 nan 0.000 0.473 1206 P HA -0.137 nan 4.420 nan 0.000 0.216 1206 P C 0.076 177.363 177.300 -0.023 0.000 1.154 1206 P CA 1.389 64.478 63.100 -0.019 0.000 0.865 1206 P CB 0.308 31.997 31.700 -0.018 0.000 0.789 1207 D N -1.353 119.029 120.400 -0.030 0.000 2.342 1207 D HA 0.047 4.688 4.640 0.002 0.000 0.221 1207 D C 0.620 176.897 176.300 -0.040 0.000 1.101 1207 D CA 0.323 54.301 54.000 -0.036 0.000 0.837 1207 D CB -0.020 40.754 40.800 -0.045 0.000 0.938 1207 D HN 0.268 nan 8.370 nan 0.000 0.508 1208 S N -1.396 114.284 115.700 -0.034 0.000 2.693 1208 S HA 0.602 5.073 4.470 0.002 0.000 0.276 1208 S C 1.192 175.779 174.600 -0.021 0.000 1.192 1208 S CA 0.162 58.343 58.200 -0.031 0.000 0.994 1208 S CB 2.402 65.588 63.200 -0.024 0.000 1.012 1208 S HN 0.191 nan 8.310 nan 0.000 0.550 1209 G N -0.389 108.401 108.800 -0.018 0.000 2.260 1209 G HA2 -0.165 3.796 3.960 0.002 0.000 0.179 1209 G HA3 -0.165 3.796 3.960 0.002 0.000 0.179 1209 G C -0.178 174.714 174.900 -0.014 0.000 1.002 1209 G CA -0.052 45.041 45.100 -0.013 0.000 0.677 1209 G HN 0.937 nan 8.290 nan 0.000 0.486 1210 E N 0.963 121.152 120.200 -0.019 0.000 2.390 1210 E HA 0.592 4.943 4.350 0.002 0.000 0.261 1210 E C 0.965 177.555 176.600 -0.017 0.000 1.076 1210 E CA 0.057 56.445 56.400 -0.021 0.000 0.905 1210 E CB 0.743 30.427 29.700 -0.027 0.000 0.984 1210 E HN 0.671 nan 8.360 nan 0.000 0.427 1211 A N 2.552 125.360 122.820 -0.019 0.000 2.407 1211 A HA 0.390 4.711 4.320 0.002 0.000 0.248 1211 A C -0.256 177.313 177.584 -0.025 0.000 1.082 1211 A CA -0.099 51.927 52.037 -0.019 0.000 0.785 1211 A CB -0.352 18.634 19.000 -0.022 0.000 1.020 1211 A HN 0.765 nan 8.150 nan 0.000 0.489 1212 c N 0.146 118.733 118.600 -0.021 0.000 3.321 1212 c HA 0.635 5.206 4.570 0.002 0.000 0.329 1212 c C -0.753 173.321 174.090 -0.027 0.000 1.394 1212 c CA -1.025 55.286 56.329 -0.031 0.000 1.291 1212 c CB 1.110 43.617 42.510 -0.004 0.000 1.606 1212 c HN 0.825 nan 8.230 nan 0.000 0.463 1213 D N 0.809 121.167 120.400 -0.070 0.000 2.339 1213 D HA 0.118 4.759 4.640 0.002 0.000 0.256 1213 D C 0.406 176.795 176.300 0.149 0.000 1.214 1213 D CA 0.734 54.710 54.000 -0.041 0.000 0.877 1213 D CB 1.133 41.725 40.800 -0.346 0.000 1.111 1213 D HN 0.742 nan 8.370 nan 0.000 0.478 1214 Q N 3.015 122.892 119.800 0.128 0.000 2.322 1214 Q HA 0.038 4.379 4.340 0.002 0.000 0.203 1214 Q C -0.138 175.951 176.000 0.148 0.000 0.923 1214 Q CA -0.075 55.806 55.803 0.130 0.000 0.949 1214 Q CB -0.030 28.752 28.738 0.073 0.000 1.039 1214 Q HN 0.505 nan 8.270 nan 0.000 0.496 1215 N N 0.211 119.056 118.700 0.241 0.000 2.776 1215 N HA -0.209 4.532 4.740 0.002 0.000 0.250 1215 N C -0.211 175.352 175.510 0.087 0.000 1.112 1215 N CA 0.846 53.992 53.050 0.160 0.000 0.733 1215 N CB -0.604 37.901 38.487 0.030 0.000 1.097 1215 N HN 0.417 nan 8.380 nan 0.000 0.558 1216 R N -0.217 120.337 120.500 0.090 0.000 2.362 1216 R HA 0.282 4.622 4.340 0.002 0.000 0.227 1216 R C 1.366 177.698 176.300 0.053 0.000 0.905 1216 R CA 0.777 56.910 56.100 0.055 0.000 1.067 1216 R CB 0.536 30.862 30.300 0.043 0.000 1.078 1216 R HN 0.223 nan 8.270 nan 0.000 0.516 1217 A N 0.437 123.303 122.820 0.077 0.000 2.571 1217 A HA 0.471 4.792 4.320 0.002 0.000 0.274 1217 A C 0.531 178.161 177.584 0.075 0.000 1.196 1217 A CA 0.183 52.260 52.037 0.066 0.000 0.957 1217 A CB 0.611 19.648 19.000 0.062 0.000 1.150 1217 A HN 0.307 nan 8.150 nan 0.000 0.539 1218 G N -0.307 108.539 108.800 0.077 0.000 2.712 1218 G HA2 0.167 4.128 3.960 0.002 0.000 0.683 1218 G HA3 0.167 4.128 3.960 0.002 0.000 0.683 1218 G C 0.130 175.090 174.900 0.100 0.000 1.320 1218 G CA -0.135 45.001 45.100 0.060 0.000 0.847 1218 G HN 1.535 nan 8.290 nan 0.000 0.553 1219 T N -1.539 113.045 114.554 0.051 0.000 2.701 1219 T HA 0.509 4.860 4.350 0.002 0.000 0.303 1219 T C 1.834 176.639 174.700 0.174 0.000 1.030 1219 T CA 0.934 63.073 62.100 0.064 0.000 1.010 1219 T CB 0.956 69.826 68.868 0.004 0.000 1.007 1219 T HN 1.350 nan 8.240 nan 0.000 0.532 1220 S N 1.155 117.004 115.700 0.247 0.000 2.353 1220 S HA -0.152 4.319 4.470 0.002 0.000 0.222 1220 S C 2.212 176.873 174.600 0.101 0.000 1.035 1220 S CA 1.453 59.776 58.200 0.205 0.000 1.025 1220 S CB -0.500 62.821 63.200 0.202 0.000 0.902 1220 S HN 0.924 nan 8.310 nan 0.000 0.440 1221 E N 1.842 122.086 120.200 0.074 0.000 2.077 1221 E HA -0.243 4.108 4.350 0.002 0.000 0.193 1221 E C 1.871 178.494 176.600 0.038 0.000 0.989 1221 E CA 1.170 57.596 56.400 0.044 0.000 0.800 1221 E CB -0.666 29.053 29.700 0.031 0.000 0.746 1221 E HN 0.619 nan 8.360 nan 0.000 0.452 1222 Q N 0.597 120.422 119.800 0.041 0.000 2.084 1222 Q HA -0.142 4.199 4.340 0.002 0.000 0.202 1222 Q C 2.397 178.419 176.000 0.036 0.000 0.978 1222 Q CA 1.615 57.438 55.803 0.033 0.000 0.844 1222 Q CB -0.154 28.602 28.738 0.031 0.000 0.898 1222 Q HN 0.454 nan 8.270 nan 0.000 0.426 1223 Q N -0.336 119.495 119.800 0.052 0.000 2.119 1223 Q HA -0.102 4.239 4.340 0.002 0.000 0.201 1223 Q C 2.194 178.211 176.000 0.028 0.000 0.972 1223 Q CA 1.167 56.996 55.803 0.043 0.000 0.847 1223 Q CB -0.183 28.588 28.738 0.056 0.000 0.903 1223 Q HN 0.484 nan 8.270 nan 0.000 0.433 1224 G N 1.008 109.825 108.800 0.029 0.000 2.404 1224 G HA2 -0.315 3.646 3.960 0.002 0.000 0.215 1224 G HA3 -0.315 3.646 3.960 0.002 0.000 0.215 1224 G C 0.968 175.877 174.900 0.015 0.000 1.174 1224 G CA 1.182 46.293 45.100 0.019 0.000 0.780 1224 G HN 0.361 nan 8.290 nan 0.000 0.537 1225 D N -0.060 120.350 120.400 0.017 0.000 2.117 1225 D HA -0.123 4.518 4.640 0.002 0.000 0.197 1225 D C 2.320 178.626 176.300 0.011 0.000 0.987 1225 D CA 0.801 54.808 54.000 0.012 0.000 0.829 1225 D CB -0.266 40.542 40.800 0.012 0.000 0.961 1225 D HN 0.141 nan 8.370 nan 0.000 0.460 1226 L N 0.169 121.400 121.223 0.013 0.000 2.042 1226 L HA -0.116 4.225 4.340 0.002 0.000 0.210 1226 L C 2.286 179.161 176.870 0.008 0.000 1.076 1226 L CA 1.989 56.835 54.840 0.011 0.000 0.749 1226 L CB -1.272 40.795 42.059 0.014 0.000 0.893 1226 L HN 0.074 nan 8.230 nan 0.000 0.432 1227 S N -0.616 115.089 115.700 0.008 0.000 2.359 1227 S HA -0.295 4.176 4.470 0.002 0.000 0.224 1227 S C 2.211 176.814 174.600 0.004 0.000 1.035 1227 S CA 1.831 60.034 58.200 0.005 0.000 1.018 1227 S CB -0.416 62.786 63.200 0.004 0.000 0.876 1227 S HN 0.605 nan 8.310 nan 0.000 0.448 1228 K N 0.454 120.857 120.400 0.005 0.000 2.032 1228 K HA -0.089 4.232 4.320 0.002 0.000 0.209 1228 K C 2.195 178.797 176.600 0.003 0.000 1.048 1228 K CA 1.331 57.620 56.287 0.004 0.000 0.927 1228 K CB -0.232 32.271 32.500 0.004 0.000 0.712 1228 K HN 0.322 nan 8.250 nan 0.000 0.441 1229 R N -0.010 120.493 120.500 0.004 0.000 2.280 1229 R HA -0.040 4.301 4.340 0.002 0.000 0.207 1229 R C 1.912 178.213 176.300 0.003 0.000 1.043 1229 R CA 1.499 57.601 56.100 0.003 0.000 1.006 1229 R CB 0.021 30.324 30.300 0.004 0.000 0.885 1229 R HN 0.496 nan 8.270 nan 0.000 0.467 1230 T N -2.086 112.469 114.554 0.003 0.000 3.018 1230 T HA 0.040 4.391 4.350 0.002 0.000 0.246 1230 T C 1.459 176.160 174.700 0.001 0.000 1.026 1230 T CA 0.190 62.291 62.100 0.002 0.000 1.081 1230 T CB 0.182 69.051 68.868 0.003 0.000 0.970 1230 T HN 0.226 nan 8.240 nan 0.000 0.475 1231 K N 1.480 121.881 120.400 0.001 0.000 2.440 1231 K HA -0.428 3.892 4.320 0.002 0.000 0.196 1231 K C 0.361 176.961 176.600 -0.000 0.000 0.753 1231 K CA 2.048 58.335 56.287 0.000 0.000 1.072 1231 K CB -1.468 31.032 32.500 0.000 0.000 1.177 1231 K HN 0.372 nan 8.250 nan 0.000 0.608 1232 K N 0.000 120.400 120.400 -0.000 0.000 2.780 1232 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1232 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 1232 K CB 0.000 32.500 32.500 -0.001 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543