REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2c3y_1_A DATA FIRST_RESID 2 DATA SEQUENCE GKKMMTTDGN TATAHVAYAM SEVAAIYPIT PSSTMGEEAD DWAAQGRKNI DATA SEQUENCE FGQTLTIREM QSEAGAAGAV HGALAAGALT TTFTASQGLL LMIPNMYKIS DATA SEQUENCE GELLPGVFHV TARAIAAHAL SIFGDHQDIY AARQTGFAML ASSSVQEAHD DATA SEQUENCE MALVAHLAAI ESNVPFMHFF DGFRTSHEIQ KIEVLDYADM ASLVNQKALA DATA SEQUENCE EFRAKSMNPE HPHVRGTAQN PDIYFQGREA ANPYYLKVPG IVAEYMQKVA DATA SEQUENCE SLTGRSYKLF DYVGAPDAER VIVSMGSSCE TIEEVINHLA AKGEKIGLIK DATA SEQUENCE VRLYRPFVSE AFFAALPASA KVITVLDRTK EPGAPGDPLY LDVCSAFVER DATA SEQUENCE GEAMPKILAG RYGLGSKEFS PAMVKSVYDN MSGAKKNHFT VGIEDDVTGT DATA SEQUENCE SLPVDNAFAD TTPKGTIQCQ FWGLGADGTV GANKQAIKII GDNTDLFAQG DATA SEQUENCE YFSYDSKKSG GITISHLRFG EKPIQSTYLV NRADYVACHN PAYVGIYDIL DATA SEQUENCE EGIKDGGTFV LNSPWSSLED MDKHLPSGIK RTIANKKLKF YNIDAVKIAT DATA SEQUENCE DVGLGGRINM IMQTAFFKLA GVLPFEKAVD LLKKSIHKAY GKKGEKIVKM DATA SEQUENCE NTDAVDQAVT SLQEFKYPDS WKDAPAETKA EPMTNEFFKN VVKPILTQQG DATA SEQUENCE DKLPVSAFEA DGRFPLGTSQ FEKRGVAINV PQWVPENCIQ CNQCAFVCPH DATA SEQUENCE SAILPVLAKE EELVGAPANF TALEAKGKEL KGYKFRIQIN TLDCMGCGNC DATA SEQUENCE ADICPPKEKA LVMQPLDTQR DAQVPNLEYA ARIPVKSEVL PRDSLKGSQF DATA SEQUENCE QEPLMEFSGA CSGCGETPYV RVITQLFGER MFIANATGCS SIWGASAPSM DATA SEQUENCE PYKTNRLGQG PAWGNSLFED AAEYGFGMNM SMFARRTHLA DLAAKALESD DATA SEQUENCE ASGDVKEALQ GWLAGKNDPI KSKEYGDKLK KLLAGQKDGL LGQIAAMSDL DATA SEQUENCE YTKKSVWIFG GDGWAYDIGY GGLDHVLASG EDVNVFVMDT EVYSNTGGQS DATA SEQUENCE SKATPTGAVA KFAAAGKRTG KKDLARMVMT YGYVYVATVS MGYSKQQFLK DATA SEQUENCE VLKEAESFPG PSLVIAYATC INQGLRKGMG KSQDVMNTAV KSGYWPLFRY DATA SEQUENCE DPRLAAQGKN PFQLDSKAPD GSVEEFLMAQ NRFAVLDRSF PEDAKRLRAQ DATA SEQUENCE VAHELDVRFK ELEHMAATNI FESFAPAGGK ADGSVDFGEG AEFcTRDDTP DATA SEQUENCE MMARPDSGEA cDQNRAGTSE QQGDLSKRTK K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 2 G C 0.000 174.918 174.900 0.030 0.000 0.946 2 G CA 0.000 45.114 45.100 0.023 0.000 0.502 3 K N -0.245 120.163 120.400 0.014 0.000 2.168 3 K HA 0.762 5.081 4.320 -0.001 0.000 0.239 3 K C -0.471 176.118 176.600 -0.020 0.000 0.999 3 K CA -0.821 55.467 56.287 0.002 0.000 0.900 3 K CB 2.007 34.504 32.500 -0.004 0.000 1.111 3 K HN 0.510 nan 8.250 nan 0.000 0.452 4 K N 1.343 121.716 120.400 -0.046 0.000 2.561 4 K HA 0.219 4.538 4.320 -0.001 0.000 0.254 4 K C -1.247 175.300 176.600 -0.088 0.000 0.942 4 K CA -0.619 55.630 56.287 -0.063 0.000 0.818 4 K CB 1.155 33.616 32.500 -0.066 0.000 1.306 4 K HN 0.378 nan 8.250 nan 0.000 0.435 5 M N 3.773 123.328 119.600 -0.075 0.000 2.242 5 M HA 0.415 4.894 4.480 -0.001 0.000 0.344 5 M C -0.243 176.009 176.300 -0.080 0.000 1.140 5 M CA 0.163 55.417 55.300 -0.077 0.000 1.160 5 M CB 0.801 33.361 32.600 -0.067 0.000 1.491 5 M HN 0.857 nan 8.290 nan 0.000 0.459 6 M N 1.974 121.529 119.600 -0.074 0.000 2.389 6 M HA 0.245 4.724 4.480 -0.001 0.000 0.291 6 M C -1.302 174.979 176.300 -0.032 0.000 1.128 6 M CA -0.336 54.925 55.300 -0.065 0.000 0.942 6 M CB 2.135 34.667 32.600 -0.113 0.000 1.783 6 M HN 0.782 nan 8.290 nan 0.000 0.501 7 T N 1.155 115.707 114.554 -0.003 0.000 2.801 7 T HA 0.771 5.120 4.350 -0.001 0.000 0.306 7 T C -0.285 174.435 174.700 0.033 0.000 1.020 7 T CA -0.054 62.062 62.100 0.028 0.000 0.948 7 T CB 0.596 69.499 68.868 0.058 0.000 0.962 7 T HN 0.805 nan 8.240 nan 0.000 0.465 8 T N 0.062 114.635 114.554 0.032 0.000 2.754 8 T HA 0.668 5.017 4.350 -0.001 0.000 0.296 8 T C -1.335 173.394 174.700 0.048 0.000 1.205 8 T CA -0.927 61.197 62.100 0.040 0.000 1.009 8 T CB 1.529 70.415 68.868 0.029 0.000 1.368 8 T HN 0.623 nan 8.240 nan 0.000 0.509 9 D N -0.870 119.557 120.400 0.044 0.000 2.440 9 D HA 0.505 5.145 4.640 -0.001 0.000 0.258 9 D C 1.669 177.976 176.300 0.012 0.000 1.092 9 D CA -0.243 53.786 54.000 0.048 0.000 1.016 9 D CB 0.252 41.077 40.800 0.041 0.000 1.141 9 D HN 0.774 nan 8.370 nan 0.000 0.552 10 G N -0.202 108.603 108.800 0.009 0.000 2.469 10 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.219 10 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.219 10 G C 1.248 176.028 174.900 -0.200 0.000 1.150 10 G CA 0.856 45.864 45.100 -0.152 0.000 0.763 10 G HN 0.663 nan 8.290 nan 0.000 0.561 11 N N -0.586 118.122 118.700 0.013 0.000 2.043 11 N HA -0.140 4.600 4.740 -0.001 0.000 0.193 11 N C 2.342 177.861 175.510 0.014 0.000 1.037 11 N CA 1.614 54.708 53.050 0.073 0.000 0.851 11 N CB -0.208 38.266 38.487 -0.021 0.000 1.027 11 N HN 0.327 nan 8.380 nan 0.000 0.422 12 T N -0.103 114.461 114.554 0.017 0.000 2.867 12 T HA 0.011 4.361 4.350 -0.001 0.000 0.268 12 T C 1.816 176.632 174.700 0.193 0.000 1.057 12 T CA 1.166 63.338 62.100 0.121 0.000 1.136 12 T CB -0.213 68.733 68.868 0.129 0.000 0.874 12 T HN 0.269 nan 8.240 nan 0.000 0.466 13 A N 0.960 123.836 122.820 0.093 0.000 1.933 13 A HA -0.059 4.260 4.320 -0.001 0.000 0.218 13 A C 2.648 180.325 177.584 0.156 0.000 1.175 13 A CA 2.494 54.603 52.037 0.119 0.000 0.628 13 A CB -1.259 17.771 19.000 0.050 0.000 0.814 13 A HN 0.740 nan 8.150 nan 0.000 0.444 14 T N -2.627 111.961 114.554 0.057 0.000 2.851 14 T HA 0.208 4.557 4.350 -0.001 0.000 0.262 14 T C 2.013 176.775 174.700 0.104 0.000 1.043 14 T CA 1.368 63.501 62.100 0.054 0.000 1.140 14 T CB -0.588 68.332 68.868 0.087 0.000 0.872 14 T HN 0.524 nan 8.240 nan 0.000 0.446 15 A N 1.919 124.839 122.820 0.167 0.000 1.908 15 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 15 A C 2.361 180.281 177.584 0.560 0.000 1.181 15 A CA 1.861 54.045 52.037 0.245 0.000 0.627 15 A CB -1.442 17.569 19.000 0.018 0.000 0.818 15 A HN 0.785 nan 8.150 nan 0.000 0.445 16 H N -0.182 119.168 119.070 0.467 0.000 2.357 16 H HA -0.140 4.416 4.556 -0.001 0.000 0.296 16 H C 1.938 177.399 175.328 0.222 0.000 1.108 16 H CA 2.299 58.549 56.048 0.336 0.000 1.273 16 H CB 0.021 29.919 29.762 0.227 0.000 1.367 16 H HN 0.269 nan 8.280 nan 0.000 0.498 17 V N 0.950 120.940 119.914 0.126 0.000 2.346 17 V HA -0.127 3.992 4.120 -0.001 0.000 0.244 17 V C 3.084 179.073 176.094 -0.174 0.000 1.037 17 V CA 1.227 63.445 62.300 -0.136 0.000 1.029 17 V CB -1.084 30.644 31.823 -0.157 0.000 0.663 17 V HN 0.566 nan 8.190 nan 0.000 0.454 18 A N -0.678 122.155 122.820 0.021 0.000 1.917 18 A HA -0.313 4.006 4.320 -0.001 0.000 0.219 18 A C 2.164 179.808 177.584 0.100 0.000 1.182 18 A CA 2.361 54.477 52.037 0.133 0.000 0.633 18 A CB -0.863 18.373 19.000 0.395 0.000 0.819 18 A HN 0.639 nan 8.150 nan 0.000 0.448 19 Y N 0.354 120.737 120.300 0.139 0.000 2.145 19 Y HA -0.119 4.431 4.550 -0.001 0.000 0.286 19 Y C 2.739 178.598 175.900 -0.070 0.000 1.145 19 Y CA 1.588 59.796 58.100 0.180 0.000 1.148 19 Y CB -0.460 38.268 38.460 0.446 0.000 0.981 19 Y HN 0.329 nan 8.280 nan 0.000 0.507 20 A N 0.045 122.703 122.820 -0.269 0.000 1.908 20 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 20 A C 1.969 179.266 177.584 -0.479 0.000 1.181 20 A CA 2.134 53.715 52.037 -0.761 0.000 0.627 20 A CB -0.590 17.378 19.000 -1.721 0.000 0.818 20 A HN 0.496 nan 8.150 nan 0.000 0.445 21 M N 0.195 119.503 119.600 -0.486 0.000 2.561 21 M HA 0.177 4.656 4.480 -0.001 0.000 0.238 21 M C -0.013 176.171 176.300 -0.193 0.000 1.131 21 M CA 0.328 55.365 55.300 -0.438 0.000 1.046 21 M CB -0.899 31.223 32.600 -0.798 0.000 1.532 21 M HN 0.192 nan 8.290 nan 0.000 0.497 22 S N -0.141 115.487 115.700 -0.120 0.000 2.568 22 S HA 0.414 4.883 4.470 -0.001 0.000 0.302 22 S C 0.694 175.309 174.600 0.026 0.000 1.082 22 S CA -0.729 57.481 58.200 0.016 0.000 1.009 22 S CB 2.498 65.724 63.200 0.042 0.000 1.069 22 S HN 0.233 nan 8.310 nan 0.000 0.500 23 E N 0.068 120.295 120.200 0.045 0.000 2.330 23 E HA 0.224 4.574 4.350 -0.001 0.000 0.200 23 E C -0.435 176.162 176.600 -0.005 0.000 0.922 23 E CA 0.309 56.710 56.400 0.001 0.000 0.935 23 E CB 0.626 30.285 29.700 -0.069 0.000 0.917 23 E HN 0.264 nan 8.360 nan 0.000 0.491 24 V N 0.644 120.571 119.914 0.022 0.000 2.876 24 V HA 0.712 4.831 4.120 -0.001 0.000 0.312 24 V C -1.205 174.916 176.094 0.044 0.000 1.085 24 V CA -0.959 61.361 62.300 0.032 0.000 0.945 24 V CB 1.908 33.755 31.823 0.039 0.000 1.017 24 V HN 0.122 nan 8.190 nan 0.000 0.428 25 A N 2.734 125.584 122.820 0.050 0.000 2.402 25 A HA 0.902 5.221 4.320 -0.001 0.000 0.291 25 A C -0.496 177.108 177.584 0.034 0.000 1.051 25 A CA -0.157 51.908 52.037 0.047 0.000 0.716 25 A CB 1.523 20.602 19.000 0.130 0.000 1.223 25 A HN 1.472 nan 8.150 nan 0.000 0.425 26 A N 2.605 125.422 122.820 -0.005 0.000 2.249 26 A HA 0.751 5.071 4.320 -0.001 0.000 0.314 26 A C -0.668 176.890 177.584 -0.044 0.000 1.290 26 A CA -0.170 51.856 52.037 -0.019 0.000 0.893 26 A CB -0.022 18.971 19.000 -0.012 0.000 1.165 26 A HN 0.710 nan 8.150 nan 0.000 0.530 27 I N 1.297 121.828 120.570 -0.065 0.000 2.846 27 I HA 0.622 4.791 4.170 -0.001 0.000 0.307 27 I C -0.886 175.177 176.117 -0.090 0.000 1.053 27 I CA -0.630 60.618 61.300 -0.087 0.000 1.050 27 I CB 2.024 39.925 38.000 -0.166 0.000 1.239 27 I HN 0.604 nan 8.210 nan 0.000 0.439 28 Y N 5.124 125.302 120.300 -0.204 0.000 2.436 28 Y HA 0.500 5.050 4.550 -0.001 0.000 0.327 28 Y C -2.656 173.156 175.900 -0.145 0.000 1.138 28 Y CA -1.828 56.150 58.100 -0.202 0.000 1.042 28 Y CB 2.109 40.500 38.460 -0.115 0.000 1.302 28 Y HN 0.361 nan 8.280 nan 0.000 0.439 29 P HA 0.461 nan 4.420 nan 0.000 0.281 29 P C -1.037 176.126 177.300 -0.228 0.000 1.252 29 P CA 0.049 62.929 63.100 -0.367 0.000 0.778 29 P CB 1.985 33.419 31.700 -0.443 0.000 0.895 30 I N 1.178 121.689 120.570 -0.099 0.000 2.715 30 I HA 0.123 4.293 4.170 -0.001 0.000 0.288 30 I C -0.691 175.385 176.117 -0.068 0.000 1.371 30 I CA -0.301 60.964 61.300 -0.059 0.000 1.056 30 I CB 2.033 40.043 38.000 0.017 0.000 1.339 30 I HN 0.167 nan 8.210 nan 0.000 0.425 31 T N 8.890 123.393 114.554 -0.084 0.000 2.940 31 T HA 0.218 4.567 4.350 -0.001 0.000 0.309 31 T C -2.094 172.532 174.700 -0.124 0.000 1.056 31 T CA -0.437 61.601 62.100 -0.103 0.000 1.137 31 T CB 0.629 69.450 68.868 -0.079 0.000 0.976 31 T HN 0.493 nan 8.240 nan 0.000 0.547 32 P HA 0.175 nan 4.420 nan 0.000 0.266 32 P C 0.807 178.038 177.300 -0.115 0.000 1.561 32 P CA -0.162 62.748 63.100 -0.316 0.000 1.089 32 P CB 0.113 31.216 31.700 -0.995 0.000 1.534 33 S N -1.775 113.874 115.700 -0.084 0.000 2.501 33 S HA -0.009 4.460 4.470 -0.001 0.000 0.220 33 S C 1.791 176.369 174.600 -0.037 0.000 0.997 33 S CA 0.429 58.612 58.200 -0.028 0.000 0.919 33 S CB -0.937 62.273 63.200 0.017 0.000 0.778 33 S HN -0.010 nan 8.310 nan 0.000 0.523 34 S N 2.220 117.888 115.700 -0.053 0.000 2.400 34 S HA -0.161 4.308 4.470 -0.001 0.000 0.234 34 S C 1.904 176.436 174.600 -0.113 0.000 1.049 34 S CA 2.013 60.178 58.200 -0.058 0.000 1.039 34 S CB -1.141 62.018 63.200 -0.069 0.000 0.856 34 S HN 0.748 nan 8.310 nan 0.000 0.465 35 T N 2.487 116.948 114.554 -0.155 0.000 2.720 35 T HA -0.080 4.269 4.350 -0.001 0.000 0.268 35 T C 1.778 176.285 174.700 -0.323 0.000 1.037 35 T CA 1.393 63.357 62.100 -0.226 0.000 1.144 35 T CB -0.354 68.371 68.868 -0.239 0.000 0.864 35 T HN 0.393 nan 8.240 nan 0.000 0.444 36 M N 0.702 120.079 119.600 -0.371 0.000 2.086 36 M HA -0.030 4.450 4.480 -0.001 0.000 0.261 36 M C 2.829 178.588 176.300 -0.901 0.000 1.067 36 M CA 1.835 56.710 55.300 -0.707 0.000 1.116 36 M CB -0.861 31.188 32.600 -0.919 0.000 1.348 36 M HN 0.392 nan 8.290 nan 0.000 0.407 37 G N 0.138 108.586 108.800 -0.587 0.000 2.418 37 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.217 37 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.217 37 G C 1.330 176.227 174.900 -0.005 0.000 1.158 37 G CA 0.753 45.797 45.100 -0.094 0.000 0.771 37 G HN 0.506 nan 8.290 nan 0.000 0.545 38 E N 0.355 120.450 120.200 -0.176 0.000 2.110 38 E HA -0.100 4.250 4.350 -0.001 0.000 0.193 38 E C 2.490 178.810 176.600 -0.468 0.000 0.988 38 E CA 0.907 57.059 56.400 -0.413 0.000 0.804 38 E CB -0.018 29.436 29.700 -0.410 0.000 0.745 38 E HN 0.421 nan 8.360 nan 0.000 0.458 39 E N 0.841 120.683 120.200 -0.598 0.000 2.038 39 E HA -0.214 4.135 4.350 -0.001 0.000 0.195 39 E C 2.230 178.122 176.600 -1.181 0.000 1.000 39 E CA 1.122 56.885 56.400 -1.062 0.000 0.803 39 E CB -0.368 28.548 29.700 -1.307 0.000 0.750 39 E HN 0.235 nan 8.360 nan 0.000 0.448 40 A N 1.561 123.975 122.820 -0.677 0.000 1.917 40 A HA -0.281 4.038 4.320 -0.001 0.000 0.219 40 A C 1.981 179.628 177.584 0.106 0.000 1.182 40 A CA 2.275 54.282 52.037 -0.049 0.000 0.633 40 A CB -0.748 18.390 19.000 0.230 0.000 0.819 40 A HN 0.263 nan 8.150 nan 0.000 0.448 41 D N -0.712 119.685 120.400 -0.006 0.000 2.097 41 D HA -0.125 4.515 4.640 -0.001 0.000 0.197 41 D C 1.412 177.704 176.300 -0.013 0.000 0.984 41 D CA 1.361 55.395 54.000 0.056 0.000 0.826 41 D CB -0.070 40.721 40.800 -0.016 0.000 0.973 41 D HN 0.364 nan 8.370 nan 0.000 0.460 42 D N -0.296 120.002 120.400 -0.169 0.000 2.092 42 D HA -0.167 4.473 4.640 -0.001 0.000 0.193 42 D C 1.948 178.289 176.300 0.068 0.000 0.994 42 D CA 0.767 54.706 54.000 -0.102 0.000 0.828 42 D CB -0.436 40.248 40.800 -0.194 0.000 0.963 42 D HN 0.438 nan 8.370 nan 0.000 0.450 43 W N 1.428 122.680 121.300 -0.080 0.000 2.338 43 W HA 0.000 4.660 4.660 -0.001 0.000 0.304 43 W C 2.592 179.068 176.519 -0.071 0.000 1.212 43 W CA 0.639 57.870 57.345 -0.191 0.000 1.264 43 W CB -1.414 27.733 29.460 -0.522 0.000 1.142 43 W HN -0.024 nan 8.180 nan 0.000 0.512 44 A N 0.550 123.576 122.820 0.344 0.000 1.902 44 A HA -0.010 4.310 4.320 -0.001 0.000 0.217 44 A C 2.266 179.981 177.584 0.218 0.000 1.181 44 A CA 2.770 55.040 52.037 0.389 0.000 0.623 44 A CB -1.095 18.143 19.000 0.396 0.000 0.818 44 A HN 0.141 nan 8.150 nan 0.000 0.443 45 A N -0.782 122.132 122.820 0.156 0.000 1.969 45 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 45 A C 2.039 179.685 177.584 0.103 0.000 1.169 45 A CA 1.490 53.588 52.037 0.101 0.000 0.635 45 A CB -0.467 18.573 19.000 0.067 0.000 0.810 45 A HN 0.660 nan 8.150 nan 0.000 0.445 46 Q N -1.848 118.023 119.800 0.118 0.000 2.369 46 Q HA 0.186 4.525 4.340 -0.001 0.000 0.206 46 Q C 1.241 177.287 176.000 0.077 0.000 0.963 46 Q CA 0.626 56.487 55.803 0.097 0.000 0.894 46 Q CB 0.027 28.824 28.738 0.099 0.000 0.965 46 Q HN 0.883 nan 8.270 nan 0.000 0.475 47 G N 1.305 110.164 108.800 0.098 0.000 2.184 47 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.206 47 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.206 47 G C 0.038 174.992 174.900 0.090 0.000 0.995 47 G CA -0.193 44.961 45.100 0.090 0.000 0.651 47 G HN 0.233 nan 8.290 nan 0.000 0.511 48 R N 0.983 121.528 120.500 0.073 0.000 2.538 48 R HA 0.389 4.728 4.340 -0.001 0.000 0.282 48 R C 0.049 176.510 176.300 0.270 0.000 1.009 48 R CA 0.371 56.484 56.100 0.021 0.000 1.063 48 R CB 0.351 30.504 30.300 -0.245 0.000 0.945 48 R HN -0.006 nan 8.270 nan 0.000 0.414 49 K N 2.973 123.516 120.400 0.240 0.000 2.156 49 K HA 0.197 4.516 4.320 -0.001 0.000 0.254 49 K C -0.203 176.668 176.600 0.452 0.000 0.950 49 K CA -0.908 55.570 56.287 0.318 0.000 0.849 49 K CB 1.382 33.988 32.500 0.177 0.000 1.100 49 K HN 0.721 nan 8.250 nan 0.000 0.434 50 N N 0.532 119.437 118.700 0.342 0.000 2.431 50 N HA 0.110 4.849 4.740 -0.001 0.000 0.289 50 N C 1.220 176.781 175.510 0.084 0.000 1.277 50 N CA -0.447 52.726 53.050 0.205 0.000 0.972 50 N CB -0.096 38.414 38.487 0.039 0.000 1.143 50 N HN 0.630 nan 8.380 nan 0.000 0.578 51 I N -4.541 115.922 120.570 -0.179 0.000 3.010 51 I HA 0.038 4.207 4.170 -0.001 0.000 0.271 51 I C 0.219 176.084 176.117 -0.421 0.000 1.293 51 I CA 1.138 62.231 61.300 -0.344 0.000 1.452 51 I CB -0.586 37.067 38.000 -0.578 0.000 1.082 51 I HN 0.209 nan 8.210 nan 0.000 0.484 52 F N 1.909 121.869 119.950 0.016 0.000 2.664 52 F HA 0.464 4.991 4.527 -0.001 0.000 0.303 52 F C 1.858 177.681 175.800 0.038 0.000 1.092 52 F CA 0.329 58.343 58.000 0.022 0.000 1.305 52 F CB 0.406 39.414 39.000 0.014 0.000 1.054 52 F HN 0.240 nan 8.300 nan 0.000 0.565 53 G N 0.312 109.213 108.800 0.169 0.000 2.143 53 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.248 53 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.248 53 G C 0.038 175.028 174.900 0.150 0.000 0.991 53 G CA -0.173 45.011 45.100 0.140 0.000 0.689 53 G HN 0.263 nan 8.290 nan 0.000 0.522 54 Q N 0.230 120.138 119.800 0.181 0.000 2.351 54 Q HA 0.627 4.966 4.340 -0.001 0.000 0.273 54 Q C 0.569 176.668 176.000 0.164 0.000 1.077 54 Q CA 0.093 55.986 55.803 0.149 0.000 0.843 54 Q CB 1.584 30.395 28.738 0.123 0.000 1.367 54 Q HN 0.601 nan 8.270 nan 0.000 0.449 55 T N -1.534 113.113 114.554 0.155 0.000 2.910 55 T HA 0.387 4.736 4.350 -0.001 0.000 0.293 55 T C 0.281 175.048 174.700 0.111 0.000 1.015 55 T CA -0.771 61.455 62.100 0.210 0.000 1.094 55 T CB 0.502 69.485 68.868 0.192 0.000 0.968 55 T HN 0.387 nan 8.240 nan 0.000 0.521 56 L N 2.921 124.171 121.223 0.045 0.000 2.453 56 L HA 0.300 4.639 4.340 -0.001 0.000 0.272 56 L C 0.493 177.393 176.870 0.049 0.000 1.182 56 L CA 0.621 55.407 54.840 -0.090 0.000 0.858 56 L CB 0.560 42.422 42.059 -0.328 0.000 1.120 56 L HN 0.879 nan 8.230 nan 0.000 0.474 57 T N 7.113 121.686 114.554 0.031 0.000 2.794 57 T HA 0.480 4.829 4.350 -0.001 0.000 0.304 57 T C 0.014 174.754 174.700 0.066 0.000 0.973 57 T CA 0.019 62.150 62.100 0.052 0.000 0.972 57 T CB -0.482 68.405 68.868 0.031 0.000 0.952 57 T HN 0.366 nan 8.240 nan 0.000 0.509 58 I N 3.827 124.456 120.570 0.097 0.000 2.474 58 I HA 0.598 4.767 4.170 -0.001 0.000 0.294 58 I C 0.085 176.250 176.117 0.080 0.000 1.005 58 I CA -1.109 60.257 61.300 0.111 0.000 1.113 58 I CB 1.438 39.552 38.000 0.189 0.000 1.289 58 I HN 0.186 nan 8.210 nan 0.000 0.436 59 R N 3.986 124.504 120.500 0.030 0.000 2.621 59 R HA 0.353 4.693 4.340 -0.001 0.000 0.284 59 R C -1.025 175.219 176.300 -0.093 0.000 0.998 59 R CA -0.811 55.286 56.100 -0.005 0.000 0.895 59 R CB 2.449 32.754 30.300 0.009 0.000 1.195 59 R HN 0.661 nan 8.270 nan 0.000 0.450 60 E N 3.845 123.958 120.200 -0.145 0.000 2.200 60 E HA 0.247 4.596 4.350 -0.001 0.000 0.283 60 E C -0.183 176.395 176.600 -0.037 0.000 1.015 60 E CA -0.485 55.774 56.400 -0.236 0.000 0.819 60 E CB 0.791 30.263 29.700 -0.380 0.000 1.081 60 E HN 0.219 nan 8.360 nan 0.000 0.397 61 M N 2.435 122.059 119.600 0.040 0.000 2.310 61 M HA 0.039 4.519 4.480 -0.001 0.000 0.241 61 M C 1.093 177.507 176.300 0.190 0.000 1.162 61 M CA -0.142 55.206 55.300 0.080 0.000 0.958 61 M CB 0.322 32.934 32.600 0.021 0.000 1.348 61 M HN 0.617 nan 8.290 nan 0.000 0.541 62 Q N 0.698 120.545 119.800 0.077 0.000 2.408 62 Q HA 0.104 4.444 4.340 -0.001 0.000 0.205 62 Q C -0.247 175.620 176.000 -0.222 0.000 0.919 62 Q CA 0.471 56.333 55.803 0.098 0.000 0.932 62 Q CB 0.336 29.103 28.738 0.048 0.000 1.058 62 Q HN 0.736 nan 8.270 nan 0.000 0.517 63 S N -1.520 113.815 115.700 -0.609 0.000 2.643 63 S HA 0.274 4.743 4.470 -0.001 0.000 0.266 63 S C -0.306 173.873 174.600 -0.702 0.000 1.130 63 S CA -0.384 57.130 58.200 -1.144 0.000 0.817 63 S CB 0.574 63.469 63.200 -0.508 0.000 1.107 63 S HN -0.060 nan 8.310 nan 0.000 0.471 64 E N 0.881 120.772 120.200 -0.515 0.000 2.204 64 E HA 0.126 4.476 4.350 -0.001 0.000 0.194 64 E C 2.137 178.649 176.600 -0.147 0.000 0.989 64 E CA 1.580 57.860 56.400 -0.200 0.000 0.824 64 E CB -0.464 29.175 29.700 -0.101 0.000 0.756 64 E HN 0.716 nan 8.360 nan 0.000 0.477 65 A N 0.490 123.223 122.820 -0.146 0.000 1.930 65 A HA -0.041 4.279 4.320 -0.001 0.000 0.217 65 A C 2.389 179.935 177.584 -0.064 0.000 1.175 65 A CA 1.604 53.594 52.037 -0.079 0.000 0.627 65 A CB -1.046 17.911 19.000 -0.072 0.000 0.815 65 A HN 0.358 nan 8.150 nan 0.000 0.443 66 G N -0.503 108.236 108.800 -0.102 0.000 2.402 66 G HA2 0.048 4.007 3.960 -0.001 0.000 0.216 66 G HA3 0.048 4.007 3.960 -0.001 0.000 0.216 66 G C 1.747 176.623 174.900 -0.040 0.000 1.162 66 G CA 1.327 46.389 45.100 -0.064 0.000 0.777 66 G HN 0.747 nan 8.290 nan 0.000 0.539 67 A N 1.296 124.078 122.820 -0.063 0.000 1.877 67 A HA 0.229 4.549 4.320 -0.001 0.000 0.216 67 A C 2.829 180.396 177.584 -0.027 0.000 1.186 67 A CA 2.363 54.372 52.037 -0.046 0.000 0.620 67 A CB -0.870 18.090 19.000 -0.066 0.000 0.822 67 A HN 0.792 nan 8.150 nan 0.000 0.443 68 A N -0.527 122.277 122.820 -0.027 0.000 1.902 68 A HA 0.102 4.421 4.320 -0.001 0.000 0.217 68 A C 2.426 180.092 177.584 0.137 0.000 1.181 68 A CA 2.000 54.072 52.037 0.059 0.000 0.623 68 A CB -1.415 17.624 19.000 0.065 0.000 0.818 68 A HN 0.758 nan 8.150 nan 0.000 0.443 69 G N -0.628 108.229 108.800 0.096 0.000 2.418 69 G HA2 0.015 3.974 3.960 -0.001 0.000 0.217 69 G HA3 0.015 3.974 3.960 -0.001 0.000 0.217 69 G C 1.715 176.678 174.900 0.104 0.000 1.158 69 G CA 1.409 46.581 45.100 0.121 0.000 0.771 69 G HN 0.804 nan 8.290 nan 0.000 0.545 70 A N 0.028 122.886 122.820 0.064 0.000 1.930 70 A HA 0.148 4.468 4.320 -0.001 0.000 0.217 70 A C 2.577 180.211 177.584 0.083 0.000 1.175 70 A CA 1.607 53.673 52.037 0.048 0.000 0.627 70 A CB -0.504 18.510 19.000 0.024 0.000 0.815 70 A HN 0.235 nan 8.150 nan 0.000 0.443 71 V N -0.397 119.587 119.914 0.117 0.000 2.343 71 V HA -0.300 3.819 4.120 -0.001 0.000 0.247 71 V C 2.428 178.666 176.094 0.240 0.000 1.051 71 V CA 2.261 64.661 62.300 0.167 0.000 1.036 71 V CB -0.983 30.967 31.823 0.212 0.000 0.654 71 V HN 0.848 nan 8.190 nan 0.000 0.451 72 H N 0.001 119.152 119.070 0.134 0.000 2.321 72 H HA -0.138 4.418 4.556 -0.001 0.000 0.300 72 H C 2.279 177.662 175.328 0.092 0.000 1.087 72 H CA 1.351 57.473 56.048 0.123 0.000 1.319 72 H CB -0.155 29.676 29.762 0.114 0.000 1.379 72 H HN 0.449 nan 8.280 nan 0.000 0.501 73 G N 0.184 108.999 108.800 0.025 0.000 2.418 73 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.217 73 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.217 73 G C 1.875 176.777 174.900 0.002 0.000 1.158 73 G CA 0.827 45.881 45.100 -0.077 0.000 0.771 73 G HN 0.563 nan 8.290 nan 0.000 0.545 74 A N 0.514 123.368 122.820 0.057 0.000 1.902 74 A HA 0.090 4.410 4.320 -0.001 0.000 0.217 74 A C 2.457 180.115 177.584 0.123 0.000 1.181 74 A CA 1.340 53.418 52.037 0.070 0.000 0.623 74 A CB -0.432 18.616 19.000 0.079 0.000 0.818 74 A HN 0.353 nan 8.150 nan 0.000 0.443 75 L N -0.803 120.535 121.223 0.192 0.000 2.056 75 L HA -0.175 4.164 4.340 -0.001 0.000 0.207 75 L C 3.072 180.104 176.870 0.269 0.000 1.078 75 L CA 1.059 56.083 54.840 0.307 0.000 0.749 75 L CB -0.494 41.728 42.059 0.272 0.000 0.901 75 L HN 0.426 nan 8.230 nan 0.000 0.433 76 A N -0.122 122.805 122.820 0.178 0.000 2.019 76 A HA -0.084 4.236 4.320 -0.001 0.000 0.219 76 A C 2.142 179.734 177.584 0.014 0.000 1.164 76 A CA 1.580 53.681 52.037 0.107 0.000 0.644 76 A CB -0.540 18.468 19.000 0.012 0.000 0.805 76 A HN 0.390 nan 8.150 nan 0.000 0.449 77 A N -1.559 121.252 122.820 -0.015 0.000 2.370 77 A HA 0.455 4.775 4.320 -0.001 0.000 0.238 77 A C 1.505 179.009 177.584 -0.133 0.000 1.289 77 A CA 0.885 52.880 52.037 -0.071 0.000 0.885 77 A CB -1.115 17.850 19.000 -0.058 0.000 0.961 77 A HN 1.845 nan 8.150 nan 0.000 0.499 78 G N -1.834 106.824 108.800 -0.237 0.000 2.147 78 G HA2 0.121 4.081 3.960 -0.001 0.000 0.244 78 G HA3 0.121 4.081 3.960 -0.001 0.000 0.244 78 G C 0.222 174.982 174.900 -0.235 0.000 1.005 78 G CA 0.293 45.044 45.100 -0.581 0.000 0.713 78 G HN 1.711 nan 8.290 nan 0.000 0.515 79 A N 0.088 122.973 122.820 0.108 0.000 2.331 79 A HA 0.791 5.110 4.320 -0.001 0.000 0.320 79 A C 0.406 178.179 177.584 0.314 0.000 1.138 79 A CA -0.670 51.469 52.037 0.169 0.000 0.790 79 A CB 0.923 19.954 19.000 0.052 0.000 1.206 79 A HN 0.767 nan 8.150 nan 0.000 0.470 80 L N 2.549 123.918 121.223 0.244 0.000 2.534 80 L HA 0.230 4.569 4.340 -0.001 0.000 0.271 80 L C 0.180 177.116 176.870 0.111 0.000 1.178 80 L CA 0.472 55.386 54.840 0.123 0.000 0.907 80 L CB 0.243 42.373 42.059 0.118 0.000 1.164 80 L HN 0.766 nan 8.230 nan 0.000 0.482 81 T N 0.975 115.592 114.554 0.105 0.000 2.906 81 T HA 0.699 5.048 4.350 -0.001 0.000 0.295 81 T C -0.083 174.692 174.700 0.126 0.000 1.061 81 T CA -0.715 61.452 62.100 0.111 0.000 1.000 81 T CB 2.189 71.132 68.868 0.126 0.000 1.103 81 T HN 0.712 nan 8.240 nan 0.000 0.486 82 T N -1.650 112.955 114.554 0.085 0.000 2.812 82 T HA 0.857 5.206 4.350 -0.001 0.000 0.294 82 T C -0.784 173.797 174.700 -0.199 0.000 1.159 82 T CA -0.784 61.334 62.100 0.029 0.000 1.008 82 T CB 2.189 71.117 68.868 0.099 0.000 1.289 82 T HN 0.704 nan 8.240 nan 0.000 0.514 83 T N -0.172 114.125 114.554 -0.428 0.000 2.802 83 T HA 0.664 5.014 4.350 -0.001 0.000 0.311 83 T C -2.156 172.059 174.700 -0.809 0.000 1.405 83 T CA -0.760 60.954 62.100 -0.644 0.000 1.016 83 T CB 1.044 69.609 68.868 -0.505 0.000 1.352 83 T HN 0.556 nan 8.240 nan 0.000 0.498 84 F N 1.373 121.320 119.950 -0.004 0.000 2.518 84 F HA 0.750 5.277 4.527 -0.001 0.000 0.323 84 F C 0.632 176.400 175.800 -0.054 0.000 1.129 84 F CA -0.597 57.426 58.000 0.037 0.000 0.920 84 F CB 2.413 41.463 39.000 0.084 0.000 1.160 84 F HN 0.621 nan 8.300 nan 0.000 0.440 85 T N 1.034 115.625 114.554 0.062 0.000 2.637 85 T HA 0.901 5.251 4.350 -0.001 0.000 0.303 85 T C -1.830 172.844 174.700 -0.043 0.000 1.288 85 T CA -0.082 62.010 62.100 -0.013 0.000 1.040 85 T CB 1.448 70.252 68.868 -0.105 0.000 1.644 85 T HN 1.295 nan 8.240 nan 0.000 0.480 86 A N 0.054 122.842 122.820 -0.054 0.000 2.489 86 A HA 0.715 5.034 4.320 -0.001 0.000 0.293 86 A C 0.569 178.123 177.584 -0.049 0.000 1.004 86 A CA 0.727 52.721 52.037 -0.071 0.000 0.626 86 A CB 0.080 19.031 19.000 -0.083 0.000 1.345 86 A HN 2.120 nan 8.150 nan 0.000 0.447 87 S N -0.789 114.879 115.700 -0.054 0.000 4.106 87 S HA -0.362 4.108 4.470 -0.001 0.000 0.541 87 S C 1.697 176.287 174.600 -0.018 0.000 1.846 87 S CA 2.451 60.632 58.200 -0.032 0.000 4.137 87 S CB -1.056 62.133 63.200 -0.019 0.000 0.892 87 S HN 1.397 nan 8.310 nan 0.000 0.535 88 Q N 0.910 120.712 119.800 0.004 0.000 2.152 88 Q HA -0.094 4.246 4.340 -0.001 0.000 0.206 88 Q C 2.349 178.364 176.000 0.025 0.000 0.985 88 Q CA 2.125 57.943 55.803 0.024 0.000 0.863 88 Q CB -1.410 27.363 28.738 0.058 0.000 0.904 88 Q HN 0.821 nan 8.270 nan 0.000 0.422 89 G N 1.027 109.843 108.800 0.027 0.000 2.404 89 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.215 89 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.215 89 G C 1.491 176.370 174.900 -0.035 0.000 1.174 89 G CA 0.689 45.799 45.100 0.017 0.000 0.780 89 G HN 0.326 nan 8.290 nan 0.000 0.537 90 L N 0.675 121.868 121.223 -0.050 0.000 2.083 90 L HA 0.085 4.425 4.340 -0.001 0.000 0.209 90 L C 2.703 179.542 176.870 -0.052 0.000 1.083 90 L CA 1.262 56.059 54.840 -0.071 0.000 0.752 90 L CB -0.421 41.588 42.059 -0.083 0.000 0.899 90 L HN 0.193 nan 8.230 nan 0.000 0.433 91 L N -1.194 120.008 121.223 -0.035 0.000 2.042 91 L HA -0.269 4.070 4.340 -0.001 0.000 0.210 91 L C 2.452 179.315 176.870 -0.012 0.000 1.076 91 L CA 1.331 56.159 54.840 -0.020 0.000 0.749 91 L CB -0.640 41.413 42.059 -0.008 0.000 0.893 91 L HN 0.326 nan 8.230 nan 0.000 0.432 92 L N -1.019 120.193 121.223 -0.018 0.000 2.362 92 L HA -0.165 4.174 4.340 -0.001 0.000 0.219 92 L C 2.372 179.231 176.870 -0.018 0.000 1.134 92 L CA 0.927 55.754 54.840 -0.022 0.000 0.807 92 L CB -0.260 41.773 42.059 -0.042 0.000 0.927 92 L HN 0.395 nan 8.230 nan 0.000 0.447 93 M N -1.116 118.470 119.600 -0.022 0.000 2.514 93 M HA -0.028 4.451 4.480 -0.001 0.000 0.258 93 M C 2.105 178.426 176.300 0.034 0.000 1.119 93 M CA 0.749 56.053 55.300 0.007 0.000 1.111 93 M CB 0.093 32.683 32.600 -0.017 0.000 1.390 93 M HN 0.166 nan 8.290 nan 0.000 0.475 94 I N 1.077 121.654 120.570 0.010 0.000 2.145 94 I HA -0.278 3.891 4.170 -0.001 0.000 0.244 94 I C -0.650 175.559 176.117 0.153 0.000 1.075 94 I CA 1.914 63.228 61.300 0.024 0.000 1.332 94 I CB -1.641 36.389 38.000 0.050 0.000 1.033 94 I HN 0.159 nan 8.210 nan 0.000 0.410 95 P HA -0.146 nan 4.420 nan 0.000 0.215 95 P C 1.243 178.648 177.300 0.174 0.000 1.153 95 P CA 1.443 64.645 63.100 0.171 0.000 0.853 95 P CB -0.098 31.647 31.700 0.075 0.000 0.788 96 N N -1.443 117.331 118.700 0.122 0.000 2.396 96 N HA -0.006 4.733 4.740 -0.001 0.000 0.180 96 N C 1.587 177.147 175.510 0.083 0.000 1.028 96 N CA 0.918 54.030 53.050 0.103 0.000 0.893 96 N CB -0.279 38.291 38.487 0.138 0.000 0.967 96 N HN 0.211 nan 8.380 nan 0.000 0.440 97 M N -0.753 118.886 119.600 0.065 0.000 2.175 97 M HA -0.151 4.328 4.480 -0.001 0.000 0.264 97 M C 1.503 177.865 176.300 0.102 0.000 1.063 97 M CA 1.316 56.604 55.300 -0.020 0.000 1.119 97 M CB -0.343 31.973 32.600 -0.475 0.000 1.377 97 M HN 0.106 nan 8.290 nan 0.000 0.415 98 Y N 0.447 120.766 120.300 0.033 0.000 2.274 98 Y HA -0.185 4.364 4.550 -0.001 0.000 0.290 98 Y C 2.504 178.412 175.900 0.014 0.000 1.145 98 Y CA 1.126 59.250 58.100 0.040 0.000 1.203 98 Y CB -0.181 38.293 38.460 0.023 0.000 0.984 98 Y HN 0.049 nan 8.280 nan 0.000 0.533 99 K N 0.133 120.605 120.400 0.120 0.000 2.062 99 K HA -0.064 4.256 4.320 -0.001 0.000 0.205 99 K C 1.990 178.477 176.600 -0.188 0.000 1.051 99 K CA 1.101 57.353 56.287 -0.058 0.000 0.941 99 K CB -0.462 31.926 32.500 -0.187 0.000 0.719 99 K HN 0.378 nan 8.250 nan 0.000 0.440 100 I N 1.455 121.915 120.570 -0.184 0.000 2.315 100 I HA -0.268 3.901 4.170 -0.001 0.000 0.248 100 I C 2.423 178.459 176.117 -0.135 0.000 1.117 100 I CA 1.386 62.594 61.300 -0.154 0.000 1.404 100 I CB -0.269 37.724 38.000 -0.013 0.000 1.071 100 I HN 0.137 nan 8.210 nan 0.000 0.419 101 S N 0.525 116.184 115.700 -0.069 0.000 2.395 101 S HA -0.012 4.457 4.470 -0.001 0.000 0.225 101 S C 2.194 176.789 174.600 -0.009 0.000 1.027 101 S CA 0.696 58.831 58.200 -0.109 0.000 0.965 101 S CB -1.070 62.133 63.200 0.004 0.000 0.812 101 S HN 0.430 nan 8.310 nan 0.000 0.482 102 G N 1.459 110.282 108.800 0.038 0.000 2.450 102 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.220 102 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.220 102 G C 1.226 176.135 174.900 0.015 0.000 1.130 102 G CA 0.667 45.799 45.100 0.053 0.000 0.760 102 G HN 0.657 nan 8.290 nan 0.000 0.557 103 E N -0.126 120.072 120.200 -0.003 0.000 2.444 103 E HA 0.326 4.675 4.350 -0.001 0.000 0.191 103 E C 0.312 176.882 176.600 -0.050 0.000 1.041 103 E CA -0.457 55.948 56.400 0.009 0.000 0.883 103 E CB 0.039 29.793 29.700 0.091 0.000 1.024 103 E HN 0.280 nan 8.360 nan 0.000 0.470 104 L N 1.451 122.605 121.223 -0.115 0.000 3.795 104 L HA -0.238 4.101 4.340 -0.001 0.000 0.489 104 L C -0.643 176.139 176.870 -0.148 0.000 1.259 104 L CA 0.270 54.987 54.840 -0.205 0.000 0.765 104 L CB -1.435 40.410 42.059 -0.356 0.000 1.519 104 L HN 0.301 nan 8.230 nan 0.000 0.842 105 L N 2.377 123.522 121.223 -0.131 0.000 2.309 105 L HA 0.392 4.731 4.340 -0.001 0.000 0.282 105 L C -1.231 175.514 176.870 -0.210 0.000 1.036 105 L CA -1.662 53.134 54.840 -0.073 0.000 0.806 105 L CB 1.280 43.359 42.059 0.034 0.000 1.220 105 L HN -0.059 nan 8.230 nan 0.000 0.429 106 P HA 0.031 nan 4.420 nan 0.000 0.249 106 P C 0.311 177.442 177.300 -0.282 0.000 1.686 106 P CA 0.016 62.912 63.100 -0.340 0.000 0.873 106 P CB -0.112 31.276 31.700 -0.519 0.000 1.828 107 G N -0.168 108.487 108.800 -0.241 0.000 2.507 107 G HA2 0.434 4.394 3.960 -0.001 0.000 0.271 107 G HA3 0.434 4.394 3.960 -0.001 0.000 0.271 107 G C -0.849 173.948 174.900 -0.172 0.000 1.189 107 G CA -0.231 44.787 45.100 -0.136 0.000 0.859 107 G HN 0.115 nan 8.290 nan 0.000 0.542 108 V N 1.403 121.284 119.914 -0.055 0.000 2.577 108 V HA 0.404 4.523 4.120 -0.001 0.000 0.303 108 V C -0.794 175.375 176.094 0.124 0.000 1.042 108 V CA -0.597 61.617 62.300 -0.143 0.000 0.872 108 V CB 1.473 32.922 31.823 -0.624 0.000 0.998 108 V HN 0.666 nan 8.190 nan 0.000 0.423 109 F N 2.971 122.855 119.950 -0.109 0.000 2.427 109 F HA 0.524 5.051 4.527 -0.001 0.000 0.346 109 F C 0.252 175.941 175.800 -0.185 0.000 1.120 109 F CA -0.760 57.177 58.000 -0.104 0.000 1.033 109 F CB 1.498 40.492 39.000 -0.011 0.000 1.126 109 F HN 0.560 nan 8.300 nan 0.000 0.462 110 H N 2.096 121.311 119.070 0.242 0.000 2.541 110 H HA 0.424 4.980 4.556 -0.001 0.000 0.316 110 H C -0.709 174.718 175.328 0.165 0.000 1.043 110 H CA -0.530 55.709 56.048 0.319 0.000 1.232 110 H CB 1.887 31.974 29.762 0.541 0.000 1.406 110 H HN 0.349 nan 8.280 nan 0.000 0.469 111 V N 3.758 123.728 119.914 0.094 0.000 2.604 111 V HA 0.434 4.554 4.120 -0.001 0.000 0.305 111 V C -0.127 175.706 176.094 -0.435 0.000 1.043 111 V CA -0.640 61.602 62.300 -0.096 0.000 0.888 111 V CB 1.925 33.712 31.823 -0.060 0.000 0.995 111 V HN 0.934 nan 8.190 nan 0.000 0.429 112 T N 4.553 118.842 114.554 -0.441 0.000 2.891 112 T HA 0.680 5.029 4.350 -0.001 0.000 0.315 112 T C 0.300 174.847 174.700 -0.255 0.000 1.054 112 T CA 0.167 61.922 62.100 -0.575 0.000 0.958 112 T CB 0.626 69.271 68.868 -0.371 0.000 1.008 112 T HN 1.570 nan 8.240 nan 0.000 0.521 113 A N 4.182 126.898 122.820 -0.173 0.000 2.563 113 A HA 0.332 4.652 4.320 -0.001 0.000 0.256 113 A C 0.698 178.276 177.584 -0.009 0.000 1.056 113 A CA -0.094 51.905 52.037 -0.064 0.000 0.775 113 A CB -0.191 18.858 19.000 0.081 0.000 0.973 113 A HN 0.975 nan 8.150 nan 0.000 0.516 114 R N 2.596 123.079 120.500 -0.028 0.000 2.744 114 R HA 0.633 4.973 4.340 -0.001 0.000 0.279 114 R C -0.033 176.273 176.300 0.009 0.000 0.977 114 R CA -0.219 55.888 56.100 0.012 0.000 0.906 114 R CB 1.554 31.850 30.300 -0.008 0.000 1.197 114 R HN 0.934 nan 8.270 nan 0.000 0.463 115 A N 3.963 126.806 122.820 0.038 0.000 2.507 115 A HA 0.235 4.555 4.320 -0.001 0.000 0.235 115 A C 0.093 177.686 177.584 0.015 0.000 1.070 115 A CA -0.072 51.983 52.037 0.030 0.000 0.768 115 A CB 0.146 19.180 19.000 0.055 0.000 1.011 115 A HN 0.528 nan 8.150 nan 0.000 0.502 116 I N 0.750 121.327 120.570 0.012 0.000 2.488 116 I HA 0.389 4.558 4.170 -0.001 0.000 0.299 116 I C 0.930 177.046 176.117 -0.001 0.000 0.984 116 I CA -0.353 60.950 61.300 0.004 0.000 1.250 116 I CB 1.153 39.158 38.000 0.007 0.000 1.389 116 I HN 0.715 nan 8.210 nan 0.000 0.488 117 A N 4.570 127.381 122.820 -0.014 0.000 2.396 117 A HA 0.600 4.920 4.320 -0.001 0.000 0.279 117 A C 0.470 178.036 177.584 -0.031 0.000 1.165 117 A CA 0.395 52.408 52.037 -0.041 0.000 0.824 117 A CB 0.182 19.158 19.000 -0.040 0.000 1.100 117 A HN 0.973 nan 8.150 nan 0.000 0.516 118 A N 2.171 124.968 122.820 -0.039 0.000 1.936 118 A HA 0.348 4.667 4.320 -0.001 0.000 0.197 118 A C 1.644 179.245 177.584 0.028 0.000 2.189 118 A CA 0.549 52.604 52.037 0.029 0.000 1.491 118 A CB -0.520 18.548 19.000 0.113 0.000 1.021 118 A HN 1.007 nan 8.150 nan 0.000 0.537 119 H N 0.236 119.330 119.070 0.040 0.000 2.495 119 H HA 0.466 5.021 4.556 -0.001 0.000 0.287 119 H C 0.406 175.783 175.328 0.082 0.000 1.033 119 H CA 1.352 57.439 56.048 0.065 0.000 1.307 119 H CB -0.257 29.545 29.762 0.067 0.000 1.401 119 H HN 0.705 nan 8.280 nan 0.000 0.555 120 A N 0.603 123.025 122.820 -0.663 0.000 2.601 120 A HA 0.487 4.806 4.320 -0.001 0.000 0.291 120 A C -1.366 176.049 177.584 -0.283 0.000 1.075 120 A CA -0.768 51.027 52.037 -0.404 0.000 0.671 120 A CB 0.986 19.733 19.000 -0.422 0.000 1.277 120 A HN 0.273 nan 8.150 nan 0.000 0.417 121 L N 0.763 121.908 121.223 -0.129 0.000 2.375 121 L HA 0.801 5.140 4.340 -0.001 0.000 0.271 121 L C 0.036 176.885 176.870 -0.036 0.000 1.107 121 L CA -0.020 54.780 54.840 -0.067 0.000 0.806 121 L CB 1.552 43.595 42.059 -0.027 0.000 1.146 121 L HN 0.850 nan 8.230 nan 0.000 0.447 122 S N 3.521 119.222 115.700 0.002 0.000 2.572 122 S HA 0.359 4.828 4.470 -0.001 0.000 0.274 122 S C 0.289 174.916 174.600 0.045 0.000 1.150 122 S CA -0.815 57.431 58.200 0.077 0.000 0.944 122 S CB 1.284 64.555 63.200 0.118 0.000 1.071 122 S HN 0.683 nan 8.310 nan 0.000 0.479 123 I N 1.181 121.730 120.570 -0.034 0.000 3.793 123 I HA 0.442 4.612 4.170 -0.001 0.000 0.315 123 I C -0.262 175.756 176.117 -0.165 0.000 1.275 123 I CA -0.147 61.062 61.300 -0.152 0.000 1.214 123 I CB -0.176 37.666 38.000 -0.265 0.000 1.018 123 I HN 0.310 nan 8.210 nan 0.000 0.439 124 F N 2.233 122.254 119.950 0.118 0.000 2.368 124 F HA 0.606 5.132 4.527 -0.001 0.000 0.308 124 F C 1.482 177.376 175.800 0.156 0.000 1.198 124 F CA -0.358 57.740 58.000 0.164 0.000 1.130 124 F CB 0.262 39.264 39.000 0.004 0.000 1.300 124 F HN -0.122 nan 8.300 nan 0.000 0.537 125 G N 0.409 109.452 108.800 0.404 0.000 2.390 125 G HA2 0.501 4.460 3.960 -0.001 0.000 0.270 125 G HA3 0.501 4.460 3.960 -0.001 0.000 0.270 125 G C -1.473 173.477 174.900 0.083 0.000 1.211 125 G CA -0.184 45.049 45.100 0.222 0.000 0.842 125 G HN 0.732 nan 8.290 nan 0.000 0.519 126 D N -1.283 119.127 120.400 0.017 0.000 2.808 126 D HA 0.039 4.678 4.640 -0.001 0.000 0.294 126 D C -0.332 175.945 176.300 -0.038 0.000 1.278 126 D CA -0.753 53.164 54.000 -0.138 0.000 0.756 126 D CB 0.101 40.819 40.800 -0.137 0.000 1.271 126 D HN 0.429 nan 8.370 nan 0.000 0.425 127 H N -0.518 118.452 119.070 -0.167 0.000 2.538 127 H HA 0.184 4.739 4.556 -0.001 0.000 0.286 127 H C 0.932 176.141 175.328 -0.198 0.000 1.035 127 H CA -0.075 55.786 56.048 -0.312 0.000 1.169 127 H CB 0.513 29.938 29.762 -0.562 0.000 1.417 127 H HN 0.284 nan 8.280 nan 0.000 0.567 128 Q N 0.968 120.791 119.800 0.039 0.000 2.096 128 Q HA -0.185 4.155 4.340 -0.001 0.000 0.204 128 Q C 1.720 177.722 176.000 0.005 0.000 0.982 128 Q CA 1.778 57.617 55.803 0.060 0.000 0.850 128 Q CB 0.110 28.866 28.738 0.030 0.000 0.901 128 Q HN 0.684 nan 8.270 nan 0.000 0.422 129 D N 0.770 121.133 120.400 -0.062 0.000 2.091 129 D HA -0.183 4.457 4.640 -0.001 0.000 0.199 129 D C 1.901 178.096 176.300 -0.175 0.000 0.980 129 D CA 1.343 55.284 54.000 -0.097 0.000 0.831 129 D CB -0.703 40.037 40.800 -0.100 0.000 0.987 129 D HN 0.443 nan 8.370 nan 0.000 0.460 130 I N -2.034 118.329 120.570 -0.345 0.000 2.361 130 I HA -0.186 3.984 4.170 -0.001 0.000 0.251 130 I C 2.383 178.285 176.117 -0.359 0.000 1.133 130 I CA 1.095 62.084 61.300 -0.520 0.000 1.413 130 I CB -1.093 36.226 38.000 -1.136 0.000 1.073 130 I HN -0.068 nan 8.210 nan 0.000 0.424 131 Y N 1.214 121.356 120.300 -0.264 0.000 2.352 131 Y HA -0.017 4.533 4.550 -0.001 0.000 0.292 131 Y C 2.719 178.564 175.900 -0.091 0.000 1.136 131 Y CA 0.417 58.422 58.100 -0.159 0.000 1.227 131 Y CB -0.161 38.225 38.460 -0.124 0.000 0.991 131 Y HN 0.299 nan 8.280 nan 0.000 0.545 132 A N -0.223 122.631 122.820 0.056 0.000 2.121 132 A HA 0.045 4.364 4.320 -0.001 0.000 0.218 132 A C 1.945 179.519 177.584 -0.017 0.000 1.154 132 A CA 1.367 53.416 52.037 0.020 0.000 0.679 132 A CB -0.558 18.442 19.000 -0.000 0.000 0.795 132 A HN 0.326 nan 8.150 nan 0.000 0.458 133 A N -0.094 122.688 122.820 -0.064 0.000 2.465 133 A HA 0.272 4.591 4.320 -0.001 0.000 0.255 133 A C 1.670 179.185 177.584 -0.115 0.000 1.274 133 A CA 0.314 52.271 52.037 -0.134 0.000 0.920 133 A CB -0.340 18.535 19.000 -0.209 0.000 1.033 133 A HN 0.624 nan 8.150 nan 0.000 0.516 134 R N 0.280 120.778 120.500 -0.004 0.000 2.189 134 R HA -0.112 4.227 4.340 -0.001 0.000 0.223 134 R C 1.215 177.513 176.300 -0.002 0.000 1.092 134 R CA 1.426 57.569 56.100 0.072 0.000 0.989 134 R CB -0.182 30.271 30.300 0.255 0.000 0.876 134 R HN 0.497 nan 8.270 nan 0.000 0.457 135 Q N 1.286 121.054 119.800 -0.053 0.000 2.280 135 Q HA 0.019 4.358 4.340 -0.001 0.000 0.201 135 Q C 0.843 176.696 176.000 -0.244 0.000 0.890 135 Q CA 1.021 56.782 55.803 -0.070 0.000 0.947 135 Q CB 0.527 29.280 28.738 0.025 0.000 1.081 135 Q HN 0.420 nan 8.270 nan 0.000 0.502 136 T N -3.206 111.090 114.554 -0.431 0.000 3.085 136 T HA 0.259 4.609 4.350 -0.001 0.000 0.263 136 T C 1.385 175.908 174.700 -0.295 0.000 1.127 136 T CA 0.783 62.398 62.100 -0.807 0.000 1.103 136 T CB -0.068 68.384 68.868 -0.693 0.000 0.921 136 T HN 0.517 nan 8.240 nan 0.000 0.510 137 G N 0.456 109.198 108.800 -0.096 0.000 2.141 137 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.231 137 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.231 137 G C -0.209 174.795 174.900 0.174 0.000 0.984 137 G CA -0.348 44.776 45.100 0.041 0.000 0.660 137 G HN 0.492 nan 8.290 nan 0.000 0.525 138 F N 1.685 121.546 119.950 -0.148 0.000 2.384 138 F HA 0.705 5.231 4.527 -0.001 0.000 0.338 138 F C 0.962 176.622 175.800 -0.232 0.000 1.103 138 F CA -0.271 57.596 58.000 -0.221 0.000 1.157 138 F CB 1.423 40.259 39.000 -0.273 0.000 1.167 138 F HN 0.331 nan 8.300 nan 0.000 0.529 139 A N 4.948 127.529 122.820 -0.398 0.000 2.371 139 A HA 0.616 4.935 4.320 -0.001 0.000 0.257 139 A C -0.482 176.923 177.584 -0.299 0.000 1.089 139 A CA -0.348 51.334 52.037 -0.592 0.000 0.794 139 A CB 0.167 18.146 19.000 -1.702 0.000 1.029 139 A HN 0.779 nan 8.150 nan 0.000 0.488 140 M N 2.407 121.976 119.600 -0.052 0.000 2.142 140 M HA 0.384 4.864 4.480 -0.001 0.000 0.299 140 M C -1.188 175.281 176.300 0.281 0.000 0.960 140 M CA 0.225 55.664 55.300 0.232 0.000 0.920 140 M CB 1.653 34.481 32.600 0.380 0.000 1.541 140 M HN 0.549 nan 8.290 nan 0.000 0.429 141 L N 2.809 124.202 121.223 0.283 0.000 2.319 141 L HA 0.821 5.161 4.340 -0.001 0.000 0.281 141 L C -0.442 176.339 176.870 -0.147 0.000 1.005 141 L CA -0.525 54.399 54.840 0.139 0.000 0.828 141 L CB 1.636 43.835 42.059 0.234 0.000 1.227 141 L HN 0.836 nan 8.230 nan 0.000 0.415 142 A N 2.849 125.419 122.820 -0.417 0.000 2.312 142 A HA 0.763 5.082 4.320 -0.001 0.000 0.328 142 A C -0.252 177.170 177.584 -0.271 0.000 1.158 142 A CA -0.435 51.094 52.037 -0.847 0.000 0.821 142 A CB 1.230 19.646 19.000 -0.973 0.000 1.170 142 A HN 0.664 nan 8.150 nan 0.000 0.490 143 S N 0.375 115.988 115.700 -0.145 0.000 2.503 143 S HA 0.538 5.007 4.470 -0.001 0.000 0.301 143 S C 0.376 175.022 174.600 0.075 0.000 1.087 143 S CA 0.088 58.315 58.200 0.045 0.000 1.042 143 S CB 1.588 64.918 63.200 0.216 0.000 1.043 143 S HN 1.321 nan 8.310 nan 0.000 0.489 144 S N 0.481 116.246 115.700 0.107 0.000 2.539 144 S HA 0.412 4.881 4.470 -0.001 0.000 0.221 144 S C 0.468 175.158 174.600 0.150 0.000 0.987 144 S CA 0.133 58.421 58.200 0.147 0.000 0.929 144 S CB -0.642 62.649 63.200 0.152 0.000 0.832 144 S HN 1.300 nan 8.310 nan 0.000 0.492 145 S N -0.832 114.946 115.700 0.131 0.000 2.643 145 S HA 0.538 5.008 4.470 -0.001 0.000 0.270 145 S C 0.579 175.225 174.600 0.077 0.000 1.166 145 S CA -0.304 57.963 58.200 0.112 0.000 0.815 145 S CB 0.794 64.058 63.200 0.106 0.000 1.139 145 S HN -0.027 nan 8.310 nan 0.000 0.472 146 V N 1.161 121.113 119.914 0.064 0.000 2.343 146 V HA -0.149 3.971 4.120 -0.001 0.000 0.247 146 V C 2.897 179.015 176.094 0.040 0.000 1.051 146 V CA 2.536 64.852 62.300 0.026 0.000 1.036 146 V CB -1.092 30.756 31.823 0.043 0.000 0.654 146 V HN 0.956 nan 8.190 nan 0.000 0.451 147 Q N 0.621 120.465 119.800 0.073 0.000 2.084 147 Q HA -0.211 4.129 4.340 -0.001 0.000 0.202 147 Q C 2.088 178.174 176.000 0.144 0.000 0.978 147 Q CA 1.961 57.820 55.803 0.094 0.000 0.844 147 Q CB -0.342 28.459 28.738 0.105 0.000 0.898 147 Q HN 0.696 nan 8.270 nan 0.000 0.426 148 E N -0.651 119.633 120.200 0.139 0.000 2.150 148 E HA -0.119 4.231 4.350 -0.001 0.000 0.193 148 E C 1.814 178.440 176.600 0.044 0.000 0.985 148 E CA 0.659 57.123 56.400 0.107 0.000 0.814 148 E CB -0.146 29.623 29.700 0.116 0.000 0.752 148 E HN 0.497 nan 8.360 nan 0.000 0.466 149 A N 1.519 124.365 122.820 0.043 0.000 1.908 149 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 149 A C 2.074 179.670 177.584 0.019 0.000 1.181 149 A CA 1.713 53.761 52.037 0.017 0.000 0.627 149 A CB -0.722 18.088 19.000 -0.317 0.000 0.818 149 A HN 0.358 nan 8.150 nan 0.000 0.445 150 H N 0.257 119.302 119.070 -0.041 0.000 2.299 150 H HA -0.126 4.429 4.556 -0.001 0.000 0.302 150 H C 1.422 176.726 175.328 -0.040 0.000 1.078 150 H CA 1.961 58.003 56.048 -0.011 0.000 1.323 150 H CB -0.285 29.487 29.762 0.016 0.000 1.381 150 H HN 0.390 nan 8.280 nan 0.000 0.498 151 D N 0.682 121.179 120.400 0.161 0.000 2.092 151 D HA -0.151 4.489 4.640 -0.001 0.000 0.193 151 D C 2.432 178.604 176.300 -0.213 0.000 0.994 151 D CA 1.034 55.057 54.000 0.039 0.000 0.828 151 D CB -0.227 40.636 40.800 0.106 0.000 0.963 151 D HN 0.333 nan 8.370 nan 0.000 0.450 152 M N 0.487 119.900 119.600 -0.312 0.000 2.229 152 M HA 0.017 4.496 4.480 -0.001 0.000 0.264 152 M C 2.246 178.209 176.300 -0.561 0.000 1.063 152 M CA 0.641 55.699 55.300 -0.404 0.000 1.114 152 M CB -1.106 31.314 32.600 -0.301 0.000 1.387 152 M HN -0.015 nan 8.290 nan 0.000 0.420 153 A N 0.314 122.739 122.820 -0.659 0.000 1.902 153 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 153 A C 2.330 179.851 177.584 -0.106 0.000 1.181 153 A CA 1.227 53.028 52.037 -0.392 0.000 0.623 153 A CB -0.857 18.066 19.000 -0.129 0.000 0.818 153 A HN 0.454 nan 8.150 nan 0.000 0.443 154 L N -0.284 120.815 121.223 -0.206 0.000 2.027 154 L HA -0.137 4.202 4.340 -0.001 0.000 0.206 154 L C 2.521 179.264 176.870 -0.211 0.000 1.074 154 L CA 1.493 56.225 54.840 -0.179 0.000 0.745 154 L CB -0.328 41.602 42.059 -0.214 0.000 0.898 154 L HN 0.276 nan 8.230 nan 0.000 0.433 155 V N 0.237 120.012 119.914 -0.233 0.000 2.332 155 V HA -0.321 3.798 4.120 -0.001 0.000 0.248 155 V C 2.791 178.618 176.094 -0.445 0.000 1.055 155 V CA 1.730 63.873 62.300 -0.262 0.000 1.038 155 V CB -1.012 30.704 31.823 -0.179 0.000 0.651 155 V HN 0.571 nan 8.190 nan 0.000 0.450 156 A N -1.058 121.497 122.820 -0.442 0.000 1.883 156 A HA -0.268 4.052 4.320 -0.001 0.000 0.217 156 A C 2.156 179.287 177.584 -0.756 0.000 1.186 156 A CA 1.976 53.604 52.037 -0.683 0.000 0.624 156 A CB -0.809 17.994 19.000 -0.328 0.000 0.822 156 A HN 0.662 nan 8.150 nan 0.000 0.444 157 H N -0.384 118.438 119.070 -0.412 0.000 2.321 157 H HA -0.043 4.512 4.556 -0.001 0.000 0.300 157 H C 2.178 177.228 175.328 -0.463 0.000 1.087 157 H CA 1.768 57.608 56.048 -0.346 0.000 1.319 157 H CB -0.325 29.307 29.762 -0.217 0.000 1.379 157 H HN 0.409 nan 8.280 nan 0.000 0.501 158 L N 0.148 121.098 121.223 -0.455 0.000 2.017 158 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 158 L C 2.949 179.294 176.870 -0.875 0.000 1.073 158 L CA 1.079 55.450 54.840 -0.783 0.000 0.745 158 L CB -0.500 40.832 42.059 -1.212 0.000 0.894 158 L HN 0.208 nan 8.230 nan 0.000 0.432 159 A N -0.144 122.184 122.820 -0.820 0.000 1.898 159 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 159 A C 2.533 179.858 177.584 -0.432 0.000 1.181 159 A CA 1.603 53.313 52.037 -0.544 0.000 0.620 159 A CB -0.688 17.902 19.000 -0.683 0.000 0.819 159 A HN 0.400 nan 8.150 nan 0.000 0.442 160 A N 0.156 122.612 122.820 -0.606 0.000 1.877 160 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 160 A C 2.118 179.574 177.584 -0.215 0.000 1.186 160 A CA 1.587 53.466 52.037 -0.263 0.000 0.620 160 A CB -0.646 18.191 19.000 -0.272 0.000 0.822 160 A HN 0.503 nan 8.150 nan 0.000 0.443 161 I N -0.838 119.579 120.570 -0.254 0.000 2.179 161 I HA -0.264 3.905 4.170 -0.001 0.000 0.242 161 I C 2.613 178.670 176.117 -0.100 0.000 1.088 161 I CA 1.970 63.146 61.300 -0.207 0.000 1.357 161 I CB -0.313 37.583 38.000 -0.174 0.000 1.051 161 I HN 0.537 nan 8.210 nan 0.000 0.409 162 E N 0.681 120.847 120.200 -0.057 0.000 2.112 162 E HA -0.176 4.173 4.350 -0.001 0.000 0.190 162 E C 2.209 178.849 176.600 0.066 0.000 0.979 162 E CA 1.370 57.804 56.400 0.056 0.000 0.814 162 E CB 0.131 29.949 29.700 0.195 0.000 0.762 162 E HN 0.485 nan 8.360 nan 0.000 0.460 163 S N -0.341 115.389 115.700 0.050 0.000 2.478 163 S HA 0.005 4.474 4.470 -0.001 0.000 0.222 163 S C 0.665 175.307 174.600 0.069 0.000 1.008 163 S CA 0.690 58.938 58.200 0.080 0.000 0.928 163 S CB -0.093 63.165 63.200 0.098 0.000 0.781 163 S HN 0.414 nan 8.310 nan 0.000 0.518 164 N N -0.538 118.149 118.700 -0.022 0.000 2.850 164 N HA -0.114 4.625 4.740 -0.001 0.000 0.249 164 N C -1.169 174.218 175.510 -0.205 0.000 1.060 164 N CA 0.907 53.893 53.050 -0.106 0.000 0.825 164 N CB -1.681 36.752 38.487 -0.090 0.000 1.132 164 N HN 0.392 nan 8.380 nan 0.000 0.564 165 V N 1.187 120.986 119.914 -0.191 0.000 2.417 165 V HA 0.477 4.597 4.120 -0.001 0.000 0.291 165 V C -1.898 174.015 176.094 -0.302 0.000 1.024 165 V CA -1.588 60.502 62.300 -0.350 0.000 0.861 165 V CB 1.877 33.405 31.823 -0.491 0.000 0.985 165 V HN -0.061 nan 8.190 nan 0.000 0.436 166 P HA 0.209 nan 4.420 nan 0.000 0.269 166 P C -1.137 175.726 177.300 -0.728 0.000 1.209 166 P CA 0.004 62.629 63.100 -0.791 0.000 0.776 166 P CB 0.654 31.403 31.700 -1.586 0.000 0.876 167 F N 1.463 121.093 119.950 -0.534 0.000 2.522 167 F HA 0.529 5.056 4.527 -0.001 0.000 0.324 167 F C 0.829 176.651 175.800 0.037 0.000 1.077 167 F CA -0.887 56.986 58.000 -0.211 0.000 0.944 167 F CB 1.992 40.873 39.000 -0.198 0.000 1.175 167 F HN 0.164 nan 8.300 nan 0.000 0.468 168 M N 4.138 123.923 119.600 0.308 0.000 2.023 168 M HA 0.305 4.785 4.480 -0.001 0.000 0.325 168 M C -1.632 174.897 176.300 0.381 0.000 0.963 168 M CA -0.611 54.882 55.300 0.322 0.000 0.928 168 M CB 0.322 33.062 32.600 0.233 0.000 1.429 168 M HN 0.675 nan 8.290 nan 0.000 0.404 169 H N 6.079 125.282 119.070 0.221 0.000 2.604 169 H HA 0.534 5.090 4.556 -0.001 0.000 0.306 169 H C -1.868 173.683 175.328 0.371 0.000 1.075 169 H CA -0.425 55.770 56.048 0.245 0.000 1.357 169 H CB 0.376 30.269 29.762 0.218 0.000 1.426 169 H HN 0.574 nan 8.280 nan 0.000 0.470 170 F N 4.414 124.244 119.950 -0.199 0.000 2.588 170 F HA 0.696 5.222 4.527 -0.001 0.000 0.314 170 F C -1.908 173.828 175.800 -0.106 0.000 1.069 170 F CA -1.509 56.325 58.000 -0.278 0.000 0.931 170 F CB 1.261 40.116 39.000 -0.242 0.000 1.260 170 F HN 0.355 nan 8.300 nan 0.000 0.465 171 F N -0.987 118.951 119.950 -0.020 0.000 2.631 171 F HA 0.517 5.043 4.527 -0.001 0.000 0.308 171 F C -1.151 174.758 175.800 0.181 0.000 1.097 171 F CA -1.463 56.552 58.000 0.026 0.000 0.952 171 F CB 0.861 39.862 39.000 0.002 0.000 1.307 171 F HN 0.337 nan 8.300 nan 0.000 0.450 172 D N 1.792 122.406 120.400 0.357 0.000 2.487 172 D HA 0.248 4.887 4.640 -0.001 0.000 0.243 172 D C 0.568 177.011 176.300 0.239 0.000 1.154 172 D CA 0.608 54.782 54.000 0.290 0.000 0.876 172 D CB 1.099 42.078 40.800 0.299 0.000 1.161 172 D HN 0.991 nan 8.370 nan 0.000 0.478 173 G N 1.562 110.451 108.800 0.148 0.000 2.272 173 G HA2 0.199 4.158 3.960 -0.001 0.000 0.247 173 G HA3 0.199 4.158 3.960 -0.001 0.000 0.247 173 G C 0.459 175.550 174.900 0.318 0.000 1.272 173 G CA -0.170 44.994 45.100 0.106 0.000 0.921 173 G HN 0.493 nan 8.290 nan 0.000 0.495 174 F N 0.318 120.410 119.950 0.236 0.000 2.551 174 F HA -0.339 4.188 4.527 -0.001 0.000 0.704 174 F C 2.356 178.448 175.800 0.487 0.000 0.486 174 F CA 2.237 60.413 58.000 0.292 0.000 0.741 174 F CB -1.139 38.010 39.000 0.248 0.000 1.617 174 F HN 0.539 nan 8.300 nan 0.000 0.268 175 R N 0.486 121.335 120.500 0.581 0.000 2.139 175 R HA -0.096 4.243 4.340 -0.001 0.000 0.243 175 R C 1.674 178.167 176.300 0.321 0.000 1.145 175 R CA 2.612 58.921 56.100 0.349 0.000 0.976 175 R CB -0.782 29.646 30.300 0.214 0.000 0.866 175 R HN 0.636 nan 8.270 nan 0.000 0.449 176 T N -1.993 112.788 114.554 0.378 0.000 3.058 176 T HA 0.031 4.381 4.350 -0.001 0.000 0.247 176 T C 1.509 176.442 174.700 0.389 0.000 0.987 176 T CA 0.500 62.808 62.100 0.346 0.000 1.062 176 T CB 0.050 69.142 68.868 0.375 0.000 1.048 176 T HN 0.395 nan 8.240 nan 0.000 0.468 177 S N 1.478 117.496 115.700 0.529 0.000 2.382 177 S HA -0.163 4.306 4.470 -0.001 0.000 0.228 177 S C 1.464 176.261 174.600 0.328 0.000 1.027 177 S CA 1.393 59.909 58.200 0.528 0.000 0.991 177 S CB -0.456 63.022 63.200 0.463 0.000 0.823 177 S HN 0.549 nan 8.310 nan 0.000 0.469 178 H N 0.716 119.920 119.070 0.223 0.000 2.755 178 H HA 0.469 5.024 4.556 -0.001 0.000 0.273 178 H C 0.185 175.697 175.328 0.306 0.000 1.055 178 H CA -0.238 55.952 56.048 0.236 0.000 1.191 178 H CB 0.185 30.119 29.762 0.287 0.000 1.536 178 H HN 0.650 nan 8.280 nan 0.000 0.529 179 E N 1.488 121.940 120.200 0.419 0.000 2.313 179 E HA 0.198 4.548 4.350 -0.001 0.000 0.276 179 E C -0.577 176.144 176.600 0.201 0.000 1.031 179 E CA -0.798 55.811 56.400 0.349 0.000 0.857 179 E CB 0.755 30.625 29.700 0.284 0.000 1.040 179 E HN 0.162 nan 8.360 nan 0.000 0.408 180 I N 3.662 124.326 120.570 0.157 0.000 2.353 180 I HA 0.235 4.405 4.170 -0.001 0.000 0.293 180 I C -1.096 175.059 176.117 0.064 0.000 0.992 180 I CA -0.003 61.363 61.300 0.110 0.000 1.268 180 I CB 1.093 39.173 38.000 0.134 0.000 1.387 180 I HN 0.528 nan 8.210 nan 0.000 0.478 181 Q N 5.652 125.490 119.800 0.063 0.000 2.416 181 Q HA 0.301 4.641 4.340 -0.001 0.000 0.281 181 Q C -1.342 174.698 176.000 0.067 0.000 1.067 181 Q CA -1.026 54.814 55.803 0.063 0.000 0.809 181 Q CB 2.482 31.262 28.738 0.070 0.000 1.418 181 Q HN 0.636 nan 8.270 nan 0.000 0.411 182 K N 2.944 123.397 120.400 0.090 0.000 2.312 182 K HA 0.450 4.770 4.320 -0.001 0.000 0.287 182 K C -0.328 176.313 176.600 0.069 0.000 1.062 182 K CA 0.047 56.370 56.287 0.060 0.000 0.934 182 K CB 0.116 32.638 32.500 0.035 0.000 1.027 182 K HN 0.613 nan 8.250 nan 0.000 0.478 183 I N -1.095 119.482 120.570 0.013 0.000 3.343 183 I HA 0.624 4.794 4.170 -0.001 0.000 0.315 183 I C -0.899 175.173 176.117 -0.075 0.000 1.153 183 I CA -1.022 60.275 61.300 -0.006 0.000 0.952 183 I CB 1.913 39.898 38.000 -0.024 0.000 1.287 183 I HN 0.497 nan 8.210 nan 0.000 0.472 184 E N 1.573 121.703 120.200 -0.116 0.000 2.187 184 E HA 0.689 5.039 4.350 -0.001 0.000 0.268 184 E C -0.827 175.551 176.600 -0.370 0.000 0.896 184 E CA -0.517 55.782 56.400 -0.167 0.000 0.766 184 E CB 1.630 31.274 29.700 -0.094 0.000 1.142 184 E HN 1.144 nan 8.360 nan 0.000 0.408 185 V N -0.265 119.431 119.914 -0.363 0.000 2.815 185 V HA 0.823 4.942 4.120 -0.001 0.000 0.314 185 V C 0.005 176.060 176.094 -0.066 0.000 1.064 185 V CA -1.000 60.995 62.300 -0.508 0.000 0.952 185 V CB 1.333 32.879 31.823 -0.462 0.000 1.020 185 V HN 0.799 nan 8.190 nan 0.000 0.439 186 L N 1.675 123.068 121.223 0.282 0.000 2.399 186 L HA 0.510 4.850 4.340 -0.001 0.000 0.265 186 L C 0.243 177.314 176.870 0.335 0.000 1.089 186 L CA -0.573 54.431 54.840 0.272 0.000 0.802 186 L CB 0.974 43.205 42.059 0.287 0.000 1.180 186 L HN 0.701 nan 8.230 nan 0.000 0.454 187 D N -0.222 120.299 120.400 0.202 0.000 2.357 187 D HA -0.013 4.627 4.640 -0.001 0.000 0.242 187 D C 0.626 177.086 176.300 0.266 0.000 1.153 187 D CA -0.022 54.086 54.000 0.180 0.000 0.918 187 D CB 0.768 41.616 40.800 0.081 0.000 1.181 187 D HN 0.307 nan 8.370 nan 0.000 0.435 188 Y N 0.732 121.009 120.300 -0.039 0.000 2.293 188 Y HA -0.083 4.466 4.550 -0.001 0.000 0.291 188 Y C 2.265 178.119 175.900 -0.076 0.000 1.137 188 Y CA 0.606 58.652 58.100 -0.089 0.000 1.202 188 Y CB -0.897 37.495 38.460 -0.113 0.000 0.990 188 Y HN 0.450 nan 8.280 nan 0.000 0.537 189 A N 0.036 122.923 122.820 0.112 0.000 1.933 189 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 189 A C 1.892 179.489 177.584 0.023 0.000 1.175 189 A CA 1.948 54.009 52.037 0.040 0.000 0.628 189 A CB -0.676 18.341 19.000 0.029 0.000 0.814 189 A HN 0.342 nan 8.150 nan 0.000 0.444 190 D N -0.342 120.085 120.400 0.046 0.000 2.097 190 D HA -0.136 4.504 4.640 -0.001 0.000 0.195 190 D C 2.045 178.353 176.300 0.014 0.000 0.989 190 D CA 1.529 55.553 54.000 0.040 0.000 0.827 190 D CB -0.334 40.507 40.800 0.069 0.000 0.966 190 D HN 0.465 nan 8.370 nan 0.000 0.456 191 M N 0.403 119.999 119.600 -0.006 0.000 2.108 191 M HA -0.144 4.336 4.480 -0.001 0.000 0.261 191 M C 2.320 178.555 176.300 -0.109 0.000 1.066 191 M CA 1.482 56.735 55.300 -0.077 0.000 1.107 191 M CB -0.315 32.185 32.600 -0.167 0.000 1.356 191 M HN 0.021 nan 8.290 nan 0.000 0.406 192 A N 0.544 123.293 122.820 -0.120 0.000 1.940 192 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 192 A C 2.272 179.806 177.584 -0.083 0.000 1.176 192 A CA 2.230 54.178 52.037 -0.148 0.000 0.631 192 A CB -1.001 17.912 19.000 -0.145 0.000 0.814 192 A HN 0.617 nan 8.150 nan 0.000 0.446 193 S N -0.829 114.848 115.700 -0.038 0.000 2.474 193 S HA 0.011 4.480 4.470 -0.001 0.000 0.235 193 S C 1.405 176.014 174.600 0.015 0.000 0.997 193 S CA 1.089 59.284 58.200 -0.008 0.000 0.949 193 S CB -0.231 62.973 63.200 0.007 0.000 0.766 193 S HN 0.280 nan 8.310 nan 0.000 0.517 194 L N 1.503 122.737 121.223 0.018 0.000 2.529 194 L HA 0.362 4.702 4.340 -0.001 0.000 0.223 194 L C 0.645 177.576 176.870 0.102 0.000 1.113 194 L CA 0.202 55.093 54.840 0.085 0.000 0.861 194 L CB -1.019 41.105 42.059 0.108 0.000 1.012 194 L HN 0.222 nan 8.230 nan 0.000 0.461 195 V N 2.073 121.989 119.914 0.005 0.000 2.673 195 V HA -0.048 4.071 4.120 -0.001 0.000 0.303 195 V C 0.980 177.109 176.094 0.058 0.000 1.046 195 V CA -0.149 62.145 62.300 -0.010 0.000 1.126 195 V CB 0.597 32.384 31.823 -0.060 0.000 0.934 195 V HN 0.356 nan 8.190 nan 0.000 0.487 196 N N 4.846 123.599 118.700 0.089 0.000 2.415 196 N HA 0.050 4.789 4.740 -0.001 0.000 0.250 196 N C 1.032 176.588 175.510 0.077 0.000 1.127 196 N CA -0.151 52.961 53.050 0.103 0.000 0.945 196 N CB 1.180 39.748 38.487 0.135 0.000 1.196 196 N HN 0.588 nan 8.380 nan 0.000 0.499 197 Q N 3.069 122.910 119.800 0.068 0.000 2.124 197 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 197 Q C 1.024 177.070 176.000 0.077 0.000 0.977 197 Q CA 1.588 57.436 55.803 0.074 0.000 0.850 197 Q CB 0.033 28.808 28.738 0.060 0.000 0.901 197 Q HN 0.515 nan 8.270 nan 0.000 0.429 198 K N 1.039 121.477 120.400 0.065 0.000 2.032 198 K HA -0.090 4.230 4.320 -0.001 0.000 0.209 198 K C 2.046 178.691 176.600 0.075 0.000 1.048 198 K CA 1.505 57.828 56.287 0.059 0.000 0.927 198 K CB -0.827 31.701 32.500 0.047 0.000 0.712 198 K HN 0.204 nan 8.250 nan 0.000 0.441 199 A N 1.002 123.871 122.820 0.082 0.000 1.877 199 A HA -0.123 4.197 4.320 -0.001 0.000 0.216 199 A C 2.191 179.854 177.584 0.130 0.000 1.186 199 A CA 1.463 53.557 52.037 0.095 0.000 0.620 199 A CB -0.734 18.314 19.000 0.079 0.000 0.822 199 A HN 0.249 nan 8.150 nan 0.000 0.443 200 L N -0.172 121.130 121.223 0.132 0.000 2.042 200 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 200 L C 2.615 179.612 176.870 0.211 0.000 1.076 200 L CA 2.282 57.241 54.840 0.197 0.000 0.749 200 L CB -0.751 41.423 42.059 0.191 0.000 0.893 200 L HN 0.344 nan 8.230 nan 0.000 0.432 201 A N -0.935 121.966 122.820 0.135 0.000 1.898 201 A HA -0.200 4.119 4.320 -0.001 0.000 0.216 201 A C 2.172 179.803 177.584 0.078 0.000 1.181 201 A CA 1.646 53.737 52.037 0.090 0.000 0.620 201 A CB -0.609 18.428 19.000 0.061 0.000 0.819 201 A HN 0.602 nan 8.150 nan 0.000 0.442 202 E N -1.321 118.938 120.200 0.098 0.000 2.110 202 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 202 E C 1.724 178.398 176.600 0.123 0.000 0.988 202 E CA 1.242 57.694 56.400 0.087 0.000 0.804 202 E CB -0.272 29.485 29.700 0.094 0.000 0.745 202 E HN 0.694 nan 8.360 nan 0.000 0.458 203 F N 2.264 122.225 119.950 0.018 0.000 2.075 203 F HA -0.195 4.332 4.527 -0.001 0.000 0.297 203 F C 2.087 177.899 175.800 0.019 0.000 1.113 203 F CA 1.459 59.467 58.000 0.014 0.000 1.218 203 F CB -0.053 38.956 39.000 0.015 0.000 0.984 203 F HN -0.162 nan 8.300 nan 0.000 0.472 204 R N 0.959 121.342 120.500 -0.194 0.000 2.083 204 R HA -0.103 4.236 4.340 -0.001 0.000 0.237 204 R C 2.429 178.632 176.300 -0.162 0.000 1.137 204 R CA 1.444 57.370 56.100 -0.291 0.000 0.951 204 R CB -1.871 28.363 30.300 -0.109 0.000 0.851 204 R HN 0.429 nan 8.270 nan 0.000 0.434 205 A N 2.284 125.057 122.820 -0.079 0.000 2.019 205 A HA -0.187 4.133 4.320 -0.001 0.000 0.219 205 A C 1.997 179.565 177.584 -0.026 0.000 1.164 205 A CA 1.785 53.781 52.037 -0.068 0.000 0.644 205 A CB -0.325 18.627 19.000 -0.081 0.000 0.805 205 A HN 0.495 nan 8.150 nan 0.000 0.449 206 K N -0.599 119.779 120.400 -0.038 0.000 2.393 206 K HA 0.218 4.538 4.320 -0.001 0.000 0.193 206 K C 0.229 176.816 176.600 -0.021 0.000 1.026 206 K CA 0.334 56.598 56.287 -0.039 0.000 1.064 206 K CB 0.090 32.564 32.500 -0.044 0.000 0.833 206 K HN 0.215 nan 8.250 nan 0.000 0.521 207 S N 1.511 117.182 115.700 -0.048 0.000 2.600 207 S HA 0.191 4.661 4.470 -0.001 0.000 0.265 207 S C 0.233 174.890 174.600 0.095 0.000 1.325 207 S CA -0.644 57.531 58.200 -0.041 0.000 1.002 207 S CB 0.504 63.538 63.200 -0.276 0.000 0.921 207 S HN 0.206 nan 8.310 nan 0.000 0.554 208 M N 3.039 122.676 119.600 0.061 0.000 2.251 208 M HA 0.092 4.571 4.480 -0.001 0.000 0.343 208 M C 0.302 176.507 176.300 -0.159 0.000 1.245 208 M CA 0.797 56.060 55.300 -0.062 0.000 1.061 208 M CB -0.147 32.376 32.600 -0.129 0.000 1.723 208 M HN 0.533 nan 8.290 nan 0.000 0.449 209 N N 4.296 122.836 118.700 -0.265 0.000 2.929 209 N HA 0.150 4.890 4.740 -0.001 0.000 0.245 209 N C -2.553 172.742 175.510 -0.359 0.000 1.081 209 N CA -0.855 51.981 53.050 -0.357 0.000 1.048 209 N CB 2.037 40.184 38.487 -0.568 0.000 1.629 209 N HN 0.226 nan 8.380 nan 0.000 0.598 210 P HA -0.093 nan 4.420 nan 0.000 0.223 210 P C 0.633 177.854 177.300 -0.133 0.000 1.144 210 P CA 1.116 64.124 63.100 -0.153 0.000 0.783 210 P CB 0.672 32.309 31.700 -0.106 0.000 0.771 211 E N -0.297 119.799 120.200 -0.174 0.000 2.208 211 E HA -0.116 4.234 4.350 -0.001 0.000 0.193 211 E C 0.844 177.474 176.600 0.049 0.000 0.988 211 E CA 0.850 57.226 56.400 -0.041 0.000 0.828 211 E CB -0.282 29.450 29.700 0.053 0.000 0.763 211 E HN 0.568 nan 8.360 nan 0.000 0.478 212 H N -2.397 116.675 119.070 0.003 0.000 2.643 212 H HA 0.289 4.845 4.556 -0.001 0.000 0.229 212 H C -2.804 172.556 175.328 0.053 0.000 1.410 212 H CA -1.877 54.184 56.048 0.022 0.000 1.458 212 H CB -0.229 29.544 29.762 0.018 0.000 1.792 212 H HN -0.033 nan 8.280 nan 0.000 0.563 213 P HA 0.181 nan 4.420 nan 0.000 0.274 213 P C -0.109 177.247 177.300 0.094 0.000 1.246 213 P CA 0.328 63.409 63.100 -0.030 0.000 0.795 213 P CB 1.757 33.407 31.700 -0.083 0.000 1.006 214 H N -1.830 117.230 119.070 -0.017 0.000 2.960 214 H HA 0.533 5.089 4.556 -0.001 0.000 0.323 214 H C -1.744 173.581 175.328 -0.005 0.000 1.326 214 H CA -1.022 55.027 56.048 0.002 0.000 1.124 214 H CB 1.154 30.926 29.762 0.016 0.000 1.853 214 H HN 0.307 nan 8.280 nan 0.000 0.536 215 V N 1.699 121.647 119.914 0.057 0.000 2.555 215 V HA 0.591 4.710 4.120 -0.001 0.000 0.302 215 V C -0.424 175.732 176.094 0.104 0.000 1.038 215 V CA -0.651 61.642 62.300 -0.012 0.000 0.887 215 V CB 1.388 33.219 31.823 0.013 0.000 0.991 215 V HN 0.984 nan 8.190 nan 0.000 0.434 216 R N 4.516 125.045 120.500 0.049 0.000 2.807 216 R HA 0.783 5.123 4.340 -0.001 0.000 0.276 216 R C 0.285 176.632 176.300 0.078 0.000 0.979 216 R CA -0.271 55.899 56.100 0.118 0.000 0.928 216 R CB 1.798 32.194 30.300 0.160 0.000 1.191 216 R HN 1.709 nan 8.270 nan 0.000 0.471 217 G N 1.455 110.315 108.800 0.101 0.000 2.291 217 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.271 217 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.271 217 G C 0.029 174.971 174.900 0.070 0.000 1.099 217 G CA 0.314 45.470 45.100 0.093 0.000 0.919 217 G HN 1.061 nan 8.290 nan 0.000 0.496 218 T N -2.124 112.476 114.554 0.075 0.000 2.816 218 T HA 0.776 5.125 4.350 -0.001 0.000 0.282 218 T C 0.559 175.301 174.700 0.070 0.000 0.993 218 T CA 0.317 62.455 62.100 0.064 0.000 0.994 218 T CB 2.145 71.053 68.868 0.066 0.000 1.025 218 T HN 1.831 nan 8.240 nan 0.000 0.529 219 A N 1.462 124.314 122.820 0.054 0.000 2.288 219 A HA 0.591 4.911 4.320 -0.001 0.000 0.320 219 A C -0.126 177.494 177.584 0.061 0.000 1.217 219 A CA -0.850 51.215 52.037 0.047 0.000 0.840 219 A CB 0.575 19.588 19.000 0.021 0.000 1.179 219 A HN 0.842 nan 8.150 nan 0.000 0.504 220 Q N 1.666 121.516 119.800 0.083 0.000 2.377 220 Q HA 0.327 4.667 4.340 -0.001 0.000 0.271 220 Q C -0.697 175.347 176.000 0.073 0.000 1.077 220 Q CA -0.652 55.217 55.803 0.110 0.000 0.820 220 Q CB 2.151 31.012 28.738 0.206 0.000 1.347 220 Q HN 0.903 nan 8.270 nan 0.000 0.444 221 N N 1.149 119.892 118.700 0.072 0.000 2.405 221 N HA 0.159 4.898 4.740 -0.001 0.000 0.269 221 N C -1.885 173.675 175.510 0.083 0.000 1.249 221 N CA -1.470 51.609 53.050 0.048 0.000 0.974 221 N CB 0.512 39.023 38.487 0.040 0.000 1.204 221 N HN 0.305 nan 8.380 nan 0.000 0.565 222 P HA -0.135 nan 4.420 nan 0.000 0.222 222 P C 0.235 177.608 177.300 0.123 0.000 1.147 222 P CA 1.004 64.159 63.100 0.093 0.000 0.790 222 P CB 0.017 31.750 31.700 0.055 0.000 0.780 223 D N 0.156 120.612 120.400 0.093 0.000 2.178 223 D HA -0.164 4.475 4.640 -0.001 0.000 0.201 223 D C 1.623 177.981 176.300 0.097 0.000 0.980 223 D CA 1.295 55.344 54.000 0.083 0.000 0.842 223 D CB -0.953 39.882 40.800 0.058 0.000 0.948 223 D HN 0.363 nan 8.370 nan 0.000 0.472 224 I N -5.160 115.485 120.570 0.125 0.000 4.557 224 I HA 0.287 4.456 4.170 -0.001 0.000 0.333 224 I C 1.671 177.883 176.117 0.159 0.000 1.332 224 I CA -0.697 60.674 61.300 0.117 0.000 1.240 224 I CB -0.074 37.975 38.000 0.082 0.000 1.312 224 I HN -0.189 nan 8.210 nan 0.000 0.457 225 Y N 2.125 122.480 120.300 0.092 0.000 2.128 225 Y HA -0.260 4.289 4.550 -0.001 0.000 0.284 225 Y C 2.259 178.261 175.900 0.171 0.000 1.154 225 Y CA 2.542 60.700 58.100 0.097 0.000 1.149 225 Y CB -0.442 38.054 38.460 0.059 0.000 0.976 225 Y HN 0.285 nan 8.280 nan 0.000 0.505 226 F N 0.464 120.439 119.950 0.041 0.000 2.095 226 F HA -0.366 4.160 4.527 -0.001 0.000 0.298 226 F C 2.193 177.932 175.800 -0.101 0.000 1.104 226 F CA 1.511 59.486 58.000 -0.042 0.000 1.232 226 F CB -0.063 38.968 39.000 0.052 0.000 0.987 226 F HN 0.184 nan 8.300 nan 0.000 0.475 227 Q N 0.171 120.029 119.800 0.097 0.000 2.124 227 Q HA -0.119 4.221 4.340 -0.001 0.000 0.202 227 Q C 2.353 178.344 176.000 -0.015 0.000 0.977 227 Q CA 1.597 57.383 55.803 -0.028 0.000 0.850 227 Q CB -0.890 27.828 28.738 -0.034 0.000 0.901 227 Q HN 0.528 nan 8.270 nan 0.000 0.429 228 G N 0.271 109.049 108.800 -0.036 0.000 2.422 228 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.218 228 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.218 228 G C 1.528 176.364 174.900 -0.107 0.000 1.140 228 G CA 0.698 45.758 45.100 -0.066 0.000 0.775 228 G HN 0.150 nan 8.290 nan 0.000 0.545 229 R N 0.562 120.946 120.500 -0.194 0.000 2.092 229 R HA 0.018 4.357 4.340 -0.001 0.000 0.231 229 R C 2.222 178.509 176.300 -0.022 0.000 1.119 229 R CA 1.169 57.164 56.100 -0.175 0.000 0.970 229 R CB -0.135 30.004 30.300 -0.269 0.000 0.864 229 R HN 0.234 nan 8.270 nan 0.000 0.440 230 E N -0.344 119.880 120.200 0.040 0.000 2.435 230 E HA 0.034 4.383 4.350 -0.001 0.000 0.195 230 E C 1.525 178.154 176.600 0.049 0.000 1.029 230 E CA 0.762 57.194 56.400 0.052 0.000 0.865 230 E CB 0.179 29.903 29.700 0.040 0.000 0.833 230 E HN 0.406 nan 8.360 nan 0.000 0.510 231 A N 1.162 124.008 122.820 0.043 0.000 2.178 231 A HA -0.006 4.313 4.320 -0.001 0.000 0.218 231 A C 2.166 179.839 177.584 0.148 0.000 1.157 231 A CA 1.383 53.463 52.037 0.072 0.000 0.689 231 A CB -0.186 18.844 19.000 0.051 0.000 0.787 231 A HN 0.197 nan 8.150 nan 0.000 0.465 232 A N -0.374 122.545 122.820 0.164 0.000 2.275 232 A HA 0.059 4.378 4.320 -0.001 0.000 0.212 232 A C 1.513 179.333 177.584 0.394 0.000 1.201 232 A CA 0.578 52.795 52.037 0.299 0.000 0.843 232 A CB -0.643 18.510 19.000 0.255 0.000 0.873 232 A HN 0.682 nan 8.150 nan 0.000 0.492 233 N N 0.849 119.689 118.700 0.233 0.000 2.069 233 N HA -0.197 4.542 4.740 -0.001 0.000 0.196 233 N C -1.041 174.584 175.510 0.192 0.000 1.024 233 N CA 1.806 54.970 53.050 0.190 0.000 0.869 233 N CB -0.846 37.697 38.487 0.093 0.000 1.035 233 N HN 0.341 nan 8.380 nan 0.000 0.434 234 P HA -0.160 nan 4.420 nan 0.000 0.216 234 P C 0.675 177.930 177.300 -0.076 0.000 1.153 234 P CA 1.246 64.328 63.100 -0.029 0.000 0.858 234 P CB -0.086 31.525 31.700 -0.149 0.000 0.789 235 Y N -2.685 117.642 120.300 0.044 0.000 2.224 235 Y HA -0.195 4.354 4.550 -0.001 0.000 0.289 235 Y C 2.291 178.123 175.900 -0.113 0.000 1.146 235 Y CA 1.348 59.418 58.100 -0.049 0.000 1.182 235 Y CB -1.222 37.173 38.460 -0.108 0.000 0.983 235 Y HN 0.003 nan 8.280 nan 0.000 0.524 236 Y N -0.935 119.441 120.300 0.127 0.000 2.337 236 Y HA -0.119 4.430 4.550 -0.001 0.000 0.293 236 Y C 2.136 178.057 175.900 0.035 0.000 1.123 236 Y CA 0.846 58.980 58.100 0.056 0.000 1.201 236 Y CB -0.440 38.039 38.460 0.032 0.000 1.011 236 Y HN 0.062 nan 8.280 nan 0.000 0.545 237 L N -0.264 121.055 121.223 0.160 0.000 2.201 237 L HA -0.204 4.135 4.340 -0.001 0.000 0.212 237 L C 1.901 178.801 176.870 0.050 0.000 1.105 237 L CA 1.461 56.355 54.840 0.090 0.000 0.775 237 L CB -0.304 41.789 42.059 0.057 0.000 0.913 237 L HN 0.169 nan 8.230 nan 0.000 0.440 238 K N -0.518 119.895 120.400 0.021 0.000 2.361 238 K HA -0.029 4.290 4.320 -0.001 0.000 0.196 238 K C 1.996 178.614 176.600 0.030 0.000 1.039 238 K CA 0.787 57.077 56.287 0.005 0.000 1.001 238 K CB 0.190 32.666 32.500 -0.040 0.000 0.795 238 K HN 0.240 nan 8.250 nan 0.000 0.495 239 V N -0.532 119.403 119.914 0.035 0.000 2.392 239 V HA -0.137 3.983 4.120 -0.001 0.000 0.249 239 V C -1.041 175.116 176.094 0.105 0.000 1.059 239 V CA 1.167 63.510 62.300 0.070 0.000 1.051 239 V CB -1.663 30.166 31.823 0.010 0.000 0.658 239 V HN 0.085 nan 8.190 nan 0.000 0.455 240 P HA 0.006 nan 4.420 nan 0.000 0.217 240 P C 1.918 179.259 177.300 0.069 0.000 1.150 240 P CA 2.089 65.235 63.100 0.076 0.000 0.832 240 P CB -0.547 31.192 31.700 0.065 0.000 0.787 241 G N -0.466 108.366 108.800 0.053 0.000 2.408 241 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.217 241 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.217 241 G C 1.516 176.432 174.900 0.026 0.000 1.150 241 G CA 0.384 45.504 45.100 0.033 0.000 0.776 241 G HN 0.223 nan 8.290 nan 0.000 0.542 242 I N 0.337 120.938 120.570 0.052 0.000 2.252 242 I HA -0.138 4.031 4.170 -0.001 0.000 0.245 242 I C 2.753 178.950 176.117 0.134 0.000 1.102 242 I CA 0.454 61.797 61.300 0.072 0.000 1.385 242 I CB -0.243 37.835 38.000 0.131 0.000 1.064 242 I HN 0.013 nan 8.210 nan 0.000 0.414 243 V N 1.175 121.179 119.914 0.151 0.000 2.287 243 V HA -0.316 3.803 4.120 -0.001 0.000 0.248 243 V C 2.743 178.901 176.094 0.106 0.000 1.053 243 V CA 2.080 64.469 62.300 0.148 0.000 1.027 243 V CB -1.007 30.916 31.823 0.167 0.000 0.646 243 V HN 0.500 nan 8.190 nan 0.000 0.447 244 A N -0.255 122.609 122.820 0.073 0.000 1.902 244 A HA -0.287 4.033 4.320 -0.001 0.000 0.217 244 A C 2.316 179.915 177.584 0.026 0.000 1.181 244 A CA 2.024 54.094 52.037 0.055 0.000 0.623 244 A CB -0.550 18.478 19.000 0.046 0.000 0.818 244 A HN 0.677 nan 8.150 nan 0.000 0.443 245 E N -1.177 119.005 120.200 -0.031 0.000 2.058 245 E HA -0.253 4.097 4.350 -0.001 0.000 0.194 245 E C 1.813 178.304 176.600 -0.180 0.000 0.997 245 E CA 1.646 57.959 56.400 -0.144 0.000 0.801 245 E CB -0.371 29.165 29.700 -0.273 0.000 0.746 245 E HN 0.751 nan 8.360 nan 0.000 0.450 246 Y N 0.226 120.519 120.300 -0.012 0.000 2.314 246 Y HA -0.089 4.460 4.550 -0.001 0.000 0.293 246 Y C 2.568 178.469 175.900 0.002 0.000 1.129 246 Y CA 1.104 59.190 58.100 -0.024 0.000 1.201 246 Y CB -0.023 38.394 38.460 -0.071 0.000 0.999 246 Y HN 0.075 nan 8.280 nan 0.000 0.541 247 M N -0.518 119.173 119.600 0.153 0.000 2.117 247 M HA -0.302 4.177 4.480 -0.001 0.000 0.262 247 M C 2.042 178.435 176.300 0.155 0.000 1.065 247 M CA 1.819 57.217 55.300 0.163 0.000 1.114 247 M CB -0.399 32.304 32.600 0.171 0.000 1.361 247 M HN 0.291 nan 8.290 nan 0.000 0.408 248 Q N 0.190 120.044 119.800 0.091 0.000 2.079 248 Q HA -0.139 4.201 4.340 -0.001 0.000 0.200 248 Q C 2.014 178.043 176.000 0.050 0.000 0.974 248 Q CA 1.347 57.184 55.803 0.057 0.000 0.840 248 Q CB -0.038 28.711 28.738 0.018 0.000 0.898 248 Q HN 0.458 nan 8.270 nan 0.000 0.430 249 K N -0.079 120.342 120.400 0.036 0.000 2.057 249 K HA -0.117 4.203 4.320 -0.001 0.000 0.207 249 K C 2.074 178.728 176.600 0.089 0.000 1.049 249 K CA 1.361 57.674 56.287 0.044 0.000 0.931 249 K CB -0.105 32.416 32.500 0.034 0.000 0.714 249 K HN 0.030 nan 8.250 nan 0.000 0.440 250 V N 1.448 121.438 119.914 0.127 0.000 2.407 250 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 250 V C 2.356 178.526 176.094 0.128 0.000 1.055 250 V CA 1.963 64.343 62.300 0.132 0.000 1.049 250 V CB -0.684 31.226 31.823 0.145 0.000 0.662 250 V HN 0.354 nan 8.190 nan 0.000 0.455 251 A N 0.985 123.880 122.820 0.126 0.000 1.908 251 A HA -0.225 4.094 4.320 -0.001 0.000 0.218 251 A C 2.499 180.120 177.584 0.062 0.000 1.181 251 A CA 2.272 54.365 52.037 0.095 0.000 0.627 251 A CB -0.841 18.203 19.000 0.073 0.000 0.818 251 A HN 0.706 nan 8.150 nan 0.000 0.445 252 S N -0.588 115.145 115.700 0.054 0.000 2.500 252 S HA 0.010 4.479 4.470 -0.001 0.000 0.239 252 S C 1.538 176.163 174.600 0.042 0.000 0.989 252 S CA 1.391 59.614 58.200 0.039 0.000 0.951 252 S CB -0.413 62.805 63.200 0.030 0.000 0.759 252 S HN 0.469 nan 8.310 nan 0.000 0.523 253 L N 0.902 122.160 121.223 0.057 0.000 2.470 253 L HA 0.133 4.472 4.340 -0.001 0.000 0.219 253 L C 2.757 179.663 176.870 0.061 0.000 1.071 253 L CA 1.155 56.030 54.840 0.058 0.000 0.850 253 L CB -0.276 41.825 42.059 0.070 0.000 1.040 253 L HN 0.558 nan 8.230 nan 0.000 0.475 254 T N -4.817 109.781 114.554 0.073 0.000 3.000 254 T HA 0.224 4.573 4.350 -0.001 0.000 0.248 254 T C 1.501 176.228 174.700 0.046 0.000 1.034 254 T CA 0.692 62.833 62.100 0.069 0.000 1.060 254 T CB 0.838 69.772 68.868 0.109 0.000 0.983 254 T HN 0.321 nan 8.240 nan 0.000 0.482 255 G N 1.869 110.692 108.800 0.038 0.000 2.176 255 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.253 255 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.253 255 G C 0.089 174.981 174.900 -0.012 0.000 0.979 255 G CA -0.129 44.981 45.100 0.015 0.000 0.641 255 G HN 0.680 nan 8.290 nan 0.000 0.530 256 R N 0.974 121.466 120.500 -0.013 0.000 2.246 256 R HA 0.543 4.883 4.340 -0.001 0.000 0.332 256 R C -0.334 175.828 176.300 -0.230 0.000 0.974 256 R CA -0.244 55.781 56.100 -0.125 0.000 0.837 256 R CB 1.350 31.610 30.300 -0.068 0.000 1.145 256 R HN 0.176 nan 8.270 nan 0.000 0.467 257 S N 2.421 117.944 115.700 -0.294 0.000 2.585 257 S HA 0.494 4.964 4.470 -0.001 0.000 0.277 257 S C -0.897 173.441 174.600 -0.437 0.000 1.241 257 S CA -0.338 57.729 58.200 -0.223 0.000 1.041 257 S CB 0.622 63.769 63.200 -0.089 0.000 0.987 257 S HN 0.346 nan 8.310 nan 0.000 0.512 258 Y N 0.457 120.785 120.300 0.047 0.000 2.588 258 Y HA 0.569 5.118 4.550 -0.001 0.000 0.343 258 Y C 0.108 176.035 175.900 0.046 0.000 1.065 258 Y CA -1.065 57.064 58.100 0.047 0.000 1.038 258 Y CB 1.720 40.205 38.460 0.042 0.000 1.297 258 Y HN 0.435 nan 8.280 nan 0.000 0.467 259 K N 0.573 121.107 120.400 0.223 0.000 2.480 259 K HA 0.368 4.688 4.320 -0.001 0.000 0.258 259 K C -0.244 176.413 176.600 0.094 0.000 0.990 259 K CA -0.883 55.491 56.287 0.145 0.000 0.857 259 K CB 2.024 34.609 32.500 0.141 0.000 1.384 259 K HN 0.328 nan 8.250 nan 0.000 0.446 260 L N 0.669 121.914 121.223 0.036 0.000 2.043 260 L HA -0.052 4.287 4.340 -0.001 0.000 0.212 260 L C 0.230 176.866 176.870 -0.390 0.000 1.075 260 L CA 1.796 56.539 54.840 -0.163 0.000 0.752 260 L CB -0.441 41.538 42.059 -0.135 0.000 0.891 260 L HN 0.417 nan 8.230 nan 0.000 0.432 261 F N -1.276 118.719 119.950 0.076 0.000 2.547 261 F HA 0.386 4.913 4.527 -0.001 0.000 0.316 261 F C -0.153 175.716 175.800 0.114 0.000 1.121 261 F CA -1.288 56.772 58.000 0.100 0.000 0.911 261 F CB 1.534 40.579 39.000 0.075 0.000 1.179 261 F HN -0.238 nan 8.300 nan 0.000 0.443 262 D N 2.075 122.656 120.400 0.301 0.000 2.362 262 D HA 0.174 4.814 4.640 -0.001 0.000 0.247 262 D C -1.426 175.023 176.300 0.249 0.000 1.050 262 D CA -0.312 53.829 54.000 0.234 0.000 0.839 262 D CB 2.519 43.427 40.800 0.180 0.000 1.283 262 D HN 0.500 nan 8.370 nan 0.000 0.477 263 Y N 1.654 122.016 120.300 0.104 0.000 2.361 263 Y HA 0.506 5.055 4.550 -0.001 0.000 0.332 263 Y C -0.998 174.948 175.900 0.078 0.000 1.101 263 Y CA -0.320 57.831 58.100 0.086 0.000 1.137 263 Y CB 1.143 39.631 38.460 0.048 0.000 1.207 263 Y HN 0.103 nan 8.280 nan 0.000 0.463 264 V N 4.939 124.379 119.914 -0.790 0.000 2.925 264 V HA 0.873 4.992 4.120 -0.001 0.000 0.311 264 V C -0.004 175.618 176.094 -0.787 0.000 1.104 264 V CA 0.036 62.022 62.300 -0.523 0.000 0.954 264 V CB 1.410 33.109 31.823 -0.205 0.000 1.022 264 V HN 1.210 nan 8.190 nan 0.000 0.427 265 G N 2.681 111.266 108.800 -0.358 0.000 2.318 265 G HA2 0.454 4.413 3.960 -0.001 0.000 0.367 265 G HA3 0.454 4.413 3.960 -0.001 0.000 0.367 265 G C -0.271 174.658 174.900 0.048 0.000 1.260 265 G CA -0.037 44.958 45.100 -0.176 0.000 1.055 265 G HN 1.668 nan 8.290 nan 0.000 0.484 266 A N 0.466 123.355 122.820 0.116 0.000 2.450 266 A HA 0.654 4.974 4.320 -0.001 0.000 0.255 266 A C -0.690 177.044 177.584 0.249 0.000 1.096 266 A CA 0.039 52.163 52.037 0.145 0.000 0.778 266 A CB 0.351 19.401 19.000 0.083 0.000 1.031 266 A HN 0.419 nan 8.150 nan 0.000 0.494 267 P HA -0.089 nan 4.420 nan 0.000 0.222 267 P C 0.242 177.568 177.300 0.042 0.000 1.147 267 P CA 1.443 64.611 63.100 0.113 0.000 0.790 267 P CB 0.197 31.941 31.700 0.074 0.000 0.780 268 D N -1.790 118.644 120.400 0.058 0.000 2.670 268 D HA 0.203 4.842 4.640 -0.001 0.000 0.255 268 D C 0.120 176.452 176.300 0.052 0.000 1.286 268 D CA -0.648 53.373 54.000 0.035 0.000 0.830 268 D CB -0.489 40.328 40.800 0.028 0.000 1.065 268 D HN -0.075 nan 8.370 nan 0.000 0.486 269 A N 0.568 123.443 122.820 0.092 0.000 2.531 269 A HA 0.100 4.419 4.320 -0.001 0.000 0.236 269 A C 0.947 178.584 177.584 0.090 0.000 1.062 269 A CA 0.031 52.134 52.037 0.111 0.000 0.760 269 A CB 0.448 19.576 19.000 0.214 0.000 0.995 269 A HN 0.243 nan 8.150 nan 0.000 0.501 270 E N 0.697 120.946 120.200 0.081 0.000 2.389 270 E HA 0.039 4.388 4.350 -0.001 0.000 0.199 270 E C -0.010 176.654 176.600 0.107 0.000 0.978 270 E CA 0.313 56.759 56.400 0.077 0.000 0.912 270 E CB 0.364 30.097 29.700 0.055 0.000 0.907 270 E HN 0.655 nan 8.360 nan 0.000 0.494 271 R N 1.099 121.683 120.500 0.139 0.000 2.409 271 R HA 0.445 4.785 4.340 -0.001 0.000 0.313 271 R C -1.241 175.246 176.300 0.312 0.000 0.953 271 R CA -0.380 55.844 56.100 0.207 0.000 0.849 271 R CB 2.326 32.763 30.300 0.229 0.000 1.171 271 R HN -0.151 nan 8.270 nan 0.000 0.458 272 V N 4.994 125.089 119.914 0.301 0.000 2.735 272 V HA 0.515 4.634 4.120 -0.001 0.000 0.310 272 V C -0.087 176.178 176.094 0.285 0.000 1.061 272 V CA -0.797 61.713 62.300 0.349 0.000 0.913 272 V CB 2.407 34.423 31.823 0.322 0.000 1.005 272 V HN 0.628 nan 8.190 nan 0.000 0.428 273 I N 3.399 124.130 120.570 0.268 0.000 2.460 273 I HA 0.543 4.712 4.170 -0.001 0.000 0.298 273 I C -0.788 175.465 176.117 0.227 0.000 0.989 273 I CA -0.874 60.519 61.300 0.155 0.000 1.173 273 I CB 2.145 40.144 38.000 -0.002 0.000 1.338 273 I HN 0.264 nan 8.210 nan 0.000 0.456 274 V N 4.741 124.799 119.914 0.240 0.000 2.409 274 V HA 0.509 4.628 4.120 -0.001 0.000 0.291 274 V C -0.193 176.056 176.094 0.258 0.000 1.020 274 V CA -0.213 62.277 62.300 0.316 0.000 0.848 274 V CB 1.436 33.505 31.823 0.411 0.000 0.990 274 V HN 0.802 nan 8.190 nan 0.000 0.430 275 S N 4.544 120.400 115.700 0.260 0.000 2.685 275 S HA 0.884 5.354 4.470 -0.001 0.000 0.282 275 S C -1.126 173.644 174.600 0.284 0.000 1.159 275 S CA -0.656 57.677 58.200 0.221 0.000 0.833 275 S CB 1.983 65.232 63.200 0.082 0.000 1.151 275 S HN 0.732 nan 8.310 nan 0.000 0.485 276 M N 1.694 121.484 119.600 0.317 0.000 2.433 276 M HA 0.618 5.098 4.480 -0.001 0.000 0.290 276 M C -0.198 176.342 176.300 0.399 0.000 1.173 276 M CA 0.709 56.209 55.300 0.334 0.000 0.905 276 M CB 1.527 34.337 32.600 0.350 0.000 1.692 276 M HN 1.181 nan 8.290 nan 0.000 0.462 277 G N 1.576 110.547 108.800 0.285 0.000 2.660 277 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.215 277 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.215 277 G C 0.275 175.327 174.900 0.254 0.000 1.345 277 G CA 0.155 45.439 45.100 0.307 0.000 0.877 277 G HN 1.378 nan 8.290 nan 0.000 0.549 278 S N -0.467 115.388 115.700 0.259 0.000 2.465 278 S HA -0.126 4.343 4.470 -0.001 0.000 0.241 278 S C 2.601 177.343 174.600 0.237 0.000 1.000 278 S CA 2.503 60.838 58.200 0.225 0.000 0.964 278 S CB -0.662 62.669 63.200 0.219 0.000 0.763 278 S HN 2.292 nan 8.310 nan 0.000 0.512 279 S N 1.037 116.890 115.700 0.255 0.000 2.399 279 S HA -0.140 4.330 4.470 -0.001 0.000 0.231 279 S C 1.954 176.698 174.600 0.241 0.000 1.022 279 S CA 0.992 59.348 58.200 0.260 0.000 0.983 279 S CB -1.507 61.648 63.200 -0.074 0.000 0.803 279 S HN 0.689 nan 8.310 nan 0.000 0.480 280 C N 1.971 121.387 119.300 0.194 0.000 2.411 280 C HA 0.010 4.469 4.460 -0.001 0.000 0.279 280 C C 2.948 178.034 174.990 0.160 0.000 1.288 280 C CA 0.641 59.762 59.018 0.173 0.000 1.764 280 C CB -1.218 26.623 27.740 0.168 0.000 1.974 280 C HN 0.591 nan 8.230 nan 0.000 0.498 281 E N 0.507 120.804 120.200 0.162 0.000 2.047 281 E HA -0.127 4.223 4.350 -0.001 0.000 0.191 281 E C 2.264 178.953 176.600 0.148 0.000 0.987 281 E CA 1.525 58.005 56.400 0.134 0.000 0.799 281 E CB -0.739 29.033 29.700 0.120 0.000 0.752 281 E HN 0.572 nan 8.360 nan 0.000 0.449 282 T N 1.844 116.516 114.554 0.196 0.000 2.746 282 T HA -0.076 4.274 4.350 -0.001 0.000 0.267 282 T C 2.115 176.901 174.700 0.142 0.000 1.039 282 T CA 0.834 63.059 62.100 0.208 0.000 1.142 282 T CB -0.188 68.823 68.868 0.238 0.000 0.866 282 T HN 0.097 nan 8.240 nan 0.000 0.444 283 I N 0.819 121.489 120.570 0.168 0.000 2.286 283 I HA -0.152 4.018 4.170 -0.001 0.000 0.248 283 I C 2.696 178.908 176.117 0.159 0.000 1.115 283 I CA 1.325 62.726 61.300 0.169 0.000 1.392 283 I CB -0.330 37.789 38.000 0.197 0.000 1.065 283 I HN 0.326 nan 8.210 nan 0.000 0.418 284 E N 1.125 121.400 120.200 0.125 0.000 2.072 284 E HA -0.288 4.061 4.350 -0.001 0.000 0.191 284 E C 2.113 178.763 176.600 0.083 0.000 0.985 284 E CA 1.277 57.727 56.400 0.083 0.000 0.801 284 E CB 0.005 29.739 29.700 0.058 0.000 0.750 284 E HN 0.437 nan 8.360 nan 0.000 0.452 285 E N -0.091 120.168 120.200 0.098 0.000 2.049 285 E HA -0.212 4.137 4.350 -0.001 0.000 0.198 285 E C 2.078 178.749 176.600 0.119 0.000 1.007 285 E CA 1.740 58.200 56.400 0.100 0.000 0.809 285 E CB 0.064 29.841 29.700 0.129 0.000 0.749 285 E HN 0.180 nan 8.360 nan 0.000 0.450 286 V N 1.268 121.261 119.914 0.131 0.000 2.343 286 V HA -0.266 3.853 4.120 -0.001 0.000 0.247 286 V C 2.391 178.583 176.094 0.164 0.000 1.051 286 V CA 1.651 64.054 62.300 0.172 0.000 1.036 286 V CB -0.415 31.511 31.823 0.172 0.000 0.654 286 V HN 0.350 nan 8.190 nan 0.000 0.451 287 I N 0.434 121.070 120.570 0.110 0.000 2.163 287 I HA -0.301 3.869 4.170 -0.001 0.000 0.243 287 I C 2.288 178.424 176.117 0.032 0.000 1.085 287 I CA 2.064 63.379 61.300 0.024 0.000 1.347 287 I CB -0.629 37.377 38.000 0.009 0.000 1.044 287 I HN 0.444 nan 8.210 nan 0.000 0.408 288 N N -0.517 118.218 118.700 0.057 0.000 2.069 288 N HA -0.277 4.462 4.740 -0.001 0.000 0.191 288 N C 2.023 177.573 175.510 0.066 0.000 1.031 288 N CA 1.190 54.269 53.050 0.047 0.000 0.852 288 N CB -0.272 38.246 38.487 0.051 0.000 1.018 288 N HN 0.451 nan 8.380 nan 0.000 0.423 289 H N 1.077 120.156 119.070 0.014 0.000 2.276 289 H HA -0.052 4.504 4.556 -0.001 0.000 0.301 289 H C 1.982 177.318 175.328 0.015 0.000 1.073 289 H CA 1.315 57.370 56.048 0.012 0.000 1.311 289 H CB -0.025 29.749 29.762 0.020 0.000 1.379 289 H HN 0.066 nan 8.280 nan 0.000 0.494 290 L N 1.076 122.398 121.223 0.165 0.000 2.056 290 L HA -0.048 4.292 4.340 -0.001 0.000 0.207 290 L C 3.124 179.971 176.870 -0.039 0.000 1.078 290 L CA 1.613 56.493 54.840 0.067 0.000 0.749 290 L CB -1.153 40.946 42.059 0.067 0.000 0.901 290 L HN 0.327 nan 8.230 nan 0.000 0.433 291 A N -0.419 122.375 122.820 -0.043 0.000 1.940 291 A HA -0.161 4.158 4.320 -0.001 0.000 0.219 291 A C 2.444 180.000 177.584 -0.047 0.000 1.176 291 A CA 1.658 53.666 52.037 -0.048 0.000 0.631 291 A CB -0.899 18.079 19.000 -0.037 0.000 0.814 291 A HN 0.373 nan 8.150 nan 0.000 0.446 292 A N -0.692 122.090 122.820 -0.062 0.000 2.125 292 A HA -0.088 4.231 4.320 -0.001 0.000 0.219 292 A C 1.876 179.410 177.584 -0.083 0.000 1.156 292 A CA 1.575 53.569 52.037 -0.072 0.000 0.671 292 A CB -0.300 18.644 19.000 -0.094 0.000 0.794 292 A HN 0.537 nan 8.150 nan 0.000 0.459 293 K N -1.748 118.596 120.400 -0.094 0.000 2.387 293 K HA 0.287 4.607 4.320 -0.001 0.000 0.198 293 K C 1.004 177.578 176.600 -0.044 0.000 1.022 293 K CA 0.447 56.688 56.287 -0.077 0.000 1.128 293 K CB 0.245 32.691 32.500 -0.090 0.000 0.853 293 K HN 0.563 nan 8.250 nan 0.000 0.523 294 G N 1.205 109.981 108.800 -0.038 0.000 2.195 294 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.224 294 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.224 294 G C -0.292 174.593 174.900 -0.026 0.000 0.990 294 G CA -0.482 44.603 45.100 -0.025 0.000 0.639 294 G HN 0.233 nan 8.290 nan 0.000 0.514 295 E N 1.402 121.579 120.200 -0.039 0.000 2.480 295 E HA 0.132 4.482 4.350 -0.001 0.000 0.258 295 E C 0.160 176.726 176.600 -0.057 0.000 0.984 295 E CA 0.275 56.642 56.400 -0.055 0.000 0.930 295 E CB 0.531 30.177 29.700 -0.091 0.000 0.936 295 E HN 0.196 nan 8.360 nan 0.000 0.466 296 K N 4.179 124.557 120.400 -0.037 0.000 2.222 296 K HA 0.266 4.586 4.320 -0.001 0.000 0.243 296 K C 0.431 177.023 176.600 -0.014 0.000 1.160 296 K CA -0.087 56.195 56.287 -0.008 0.000 1.090 296 K CB -0.759 31.751 32.500 0.016 0.000 1.694 296 K HN 0.461 nan 8.250 nan 0.000 0.361 297 I N -3.110 117.420 120.570 -0.066 0.000 3.002 297 I HA 0.867 5.036 4.170 -0.001 0.000 0.310 297 I C -0.029 176.095 176.117 0.012 0.000 1.087 297 I CA -1.152 60.083 61.300 -0.108 0.000 1.017 297 I CB 2.635 40.274 38.000 -0.601 0.000 1.226 297 I HN 0.218 nan 8.210 nan 0.000 0.443 298 G N 2.336 111.229 108.800 0.155 0.000 2.645 298 G HA2 0.659 4.618 3.960 -0.001 0.000 0.292 298 G HA3 0.659 4.618 3.960 -0.001 0.000 0.292 298 G C -2.268 172.745 174.900 0.189 0.000 1.415 298 G CA -0.732 44.441 45.100 0.122 0.000 0.785 298 G HN 0.788 nan 8.290 nan 0.000 0.483 299 L N -0.492 120.685 121.223 -0.077 0.000 2.455 299 L HA 0.782 5.121 4.340 -0.001 0.000 0.264 299 L C -1.418 175.508 176.870 0.093 0.000 0.968 299 L CA -0.712 54.182 54.840 0.090 0.000 0.827 299 L CB 1.952 44.066 42.059 0.091 0.000 1.317 299 L HN 0.492 nan 8.230 nan 0.000 0.407 300 I N 4.415 125.142 120.570 0.262 0.000 2.354 300 I HA 0.369 4.538 4.170 -0.001 0.000 0.286 300 I C -0.388 175.925 176.117 0.326 0.000 1.007 300 I CA -0.676 60.818 61.300 0.324 0.000 1.167 300 I CB 1.319 39.521 38.000 0.336 0.000 1.320 300 I HN 0.573 nan 8.210 nan 0.000 0.458 301 K N 6.139 126.714 120.400 0.291 0.000 2.276 301 K HA 0.354 4.674 4.320 -0.001 0.000 0.285 301 K C -0.412 176.380 176.600 0.320 0.000 1.062 301 K CA -0.567 55.883 56.287 0.271 0.000 0.918 301 K CB 1.655 34.276 32.500 0.201 0.000 1.055 301 K HN 0.473 nan 8.250 nan 0.000 0.477 302 V N 1.389 121.497 119.914 0.324 0.000 2.406 302 V HA 0.317 4.436 4.120 -0.001 0.000 0.272 302 V C 0.487 176.604 176.094 0.038 0.000 1.043 302 V CA -0.455 61.980 62.300 0.225 0.000 0.915 302 V CB 1.360 33.446 31.823 0.438 0.000 0.988 302 V HN 0.691 nan 8.190 nan 0.000 0.466 303 R N 3.612 124.023 120.500 -0.149 0.000 2.084 303 R HA 0.447 4.786 4.340 -0.001 0.000 0.209 303 R C 0.459 176.692 176.300 -0.112 0.000 1.173 303 R CA 0.269 56.307 56.100 -0.103 0.000 1.053 303 R CB -0.315 29.938 30.300 -0.079 0.000 0.948 303 R HN 0.704 nan 8.270 nan 0.000 0.460 304 L N 1.556 122.640 121.223 -0.232 0.000 2.282 304 L HA 0.191 4.530 4.340 -0.001 0.000 0.287 304 L C 0.182 177.000 176.870 -0.087 0.000 1.075 304 L CA -0.132 54.635 54.840 -0.122 0.000 0.839 304 L CB 0.659 42.633 42.059 -0.142 0.000 1.219 304 L HN 0.214 nan 8.230 nan 0.000 0.434 305 Y N 4.916 125.237 120.300 0.036 0.000 2.365 305 Y HA 0.273 4.822 4.550 -0.001 0.000 0.293 305 Y C 0.403 176.457 175.900 0.257 0.000 1.119 305 Y CA 0.642 58.872 58.100 0.217 0.000 1.203 305 Y CB 0.323 38.959 38.460 0.293 0.000 1.026 305 Y HN 0.420 nan 8.280 nan 0.000 0.549 306 R N 0.370 120.898 120.500 0.047 0.000 2.533 306 R HA 0.331 4.670 4.340 -0.001 0.000 0.288 306 R C -3.035 173.245 176.300 -0.033 0.000 1.039 306 R CA -2.299 53.782 56.100 -0.032 0.000 0.909 306 R CB 1.502 31.792 30.300 -0.017 0.000 1.195 306 R HN -0.021 nan 8.270 nan 0.000 0.438 307 P HA 0.112 nan 4.420 nan 0.000 0.272 307 P C -0.646 176.695 177.300 0.068 0.000 1.223 307 P CA -0.187 62.946 63.100 0.055 0.000 0.784 307 P CB 0.388 32.151 31.700 0.105 0.000 0.923 308 F N 3.302 123.216 119.950 -0.060 0.000 2.375 308 F HA 0.274 4.800 4.527 -0.001 0.000 0.362 308 F C -0.464 175.397 175.800 0.100 0.000 1.129 308 F CA -0.335 57.672 58.000 0.010 0.000 1.154 308 F CB 0.395 39.333 39.000 -0.103 0.000 1.205 308 F HN -0.066 nan 8.300 nan 0.000 0.513 309 V N 6.840 126.747 119.914 -0.011 0.000 2.304 309 V HA 0.081 4.201 4.120 -0.001 0.000 0.269 309 V C 0.878 176.985 176.094 0.022 0.000 1.036 309 V CA -0.041 62.308 62.300 0.081 0.000 0.840 309 V CB 0.597 32.488 31.823 0.114 0.000 1.036 309 V HN 0.950 nan 8.190 nan 0.000 0.466 310 S N 2.962 118.712 115.700 0.083 0.000 2.374 310 S HA -0.235 4.235 4.470 -0.001 0.000 0.227 310 S C 1.902 176.594 174.600 0.153 0.000 1.037 310 S CA 1.980 60.228 58.200 0.080 0.000 1.024 310 S CB -0.092 63.253 63.200 0.242 0.000 0.861 310 S HN 0.913 nan 8.310 nan 0.000 0.456 311 E N 0.969 121.282 120.200 0.190 0.000 2.085 311 E HA -0.189 4.161 4.350 -0.001 0.000 0.194 311 E C 2.061 178.738 176.600 0.128 0.000 0.994 311 E CA 1.117 57.631 56.400 0.190 0.000 0.801 311 E CB -0.221 29.554 29.700 0.125 0.000 0.743 311 E HN 0.514 nan 8.360 nan 0.000 0.453 312 A N 0.234 123.125 122.820 0.118 0.000 1.968 312 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 312 A C 1.880 179.469 177.584 0.010 0.000 1.169 312 A CA 0.886 53.028 52.037 0.174 0.000 0.638 312 A CB -0.653 18.561 19.000 0.358 0.000 0.812 312 A HN 0.496 nan 8.150 nan 0.000 0.446 313 F N -0.225 119.366 119.950 -0.597 0.000 2.113 313 F HA -0.079 4.448 4.527 -0.001 0.000 0.297 313 F C 1.766 177.185 175.800 -0.635 0.000 1.103 313 F CA 1.451 58.740 58.000 -1.185 0.000 1.248 313 F CB -0.470 37.661 39.000 -1.447 0.000 0.999 313 F HN 0.205 nan 8.300 nan 0.000 0.475 314 F N 0.305 120.034 119.950 -0.369 0.000 2.365 314 F HA -0.023 4.503 4.527 -0.001 0.000 0.300 314 F C 2.463 178.098 175.800 -0.276 0.000 1.090 314 F CA 0.677 58.452 58.000 -0.376 0.000 1.408 314 F CB -0.772 38.115 39.000 -0.188 0.000 1.060 314 F HN 0.104 nan 8.300 nan 0.000 0.534 315 A N -0.197 122.598 122.820 -0.042 0.000 2.014 315 A HA 0.093 4.412 4.320 -0.001 0.000 0.218 315 A C 2.177 179.719 177.584 -0.071 0.000 1.163 315 A CA 1.374 53.399 52.037 -0.020 0.000 0.652 315 A CB -0.750 18.269 19.000 0.031 0.000 0.808 315 A HN 0.263 nan 8.150 nan 0.000 0.449 316 A N -1.321 121.411 122.820 -0.146 0.000 2.267 316 A HA 0.438 4.757 4.320 -0.001 0.000 0.213 316 A C 0.740 178.148 177.584 -0.294 0.000 1.192 316 A CA -0.120 51.851 52.037 -0.110 0.000 0.851 316 A CB -0.019 19.000 19.000 0.032 0.000 0.881 316 A HN 0.406 nan 8.150 nan 0.000 0.494 317 L N 1.776 122.763 121.223 -0.393 0.000 2.265 317 L HA 0.428 4.767 4.340 -0.001 0.000 0.288 317 L C -2.909 173.794 176.870 -0.279 0.000 1.058 317 L CA -1.811 52.799 54.840 -0.383 0.000 0.809 317 L CB 0.980 42.774 42.059 -0.441 0.000 1.179 317 L HN -0.022 nan 8.230 nan 0.000 0.429 318 P HA 0.142 nan 4.420 nan 0.000 0.271 318 P C 0.265 177.518 177.300 -0.077 0.000 1.226 318 P CA -0.142 62.807 63.100 -0.251 0.000 0.765 318 P CB 0.945 32.473 31.700 -0.286 0.000 0.835 319 A N 2.876 125.668 122.820 -0.047 0.000 2.172 319 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 319 A C 1.864 179.461 177.584 0.021 0.000 1.154 319 A CA 1.655 53.696 52.037 0.006 0.000 0.701 319 A CB -1.018 17.980 19.000 -0.003 0.000 0.789 319 A HN 0.567 nan 8.150 nan 0.000 0.465 320 S N -0.405 115.300 115.700 0.008 0.000 2.527 320 S HA 0.434 4.903 4.470 -0.001 0.000 0.222 320 S C 1.016 175.641 174.600 0.042 0.000 0.985 320 S CA 0.282 58.496 58.200 0.022 0.000 0.921 320 S CB -0.535 62.675 63.200 0.016 0.000 0.772 320 S HN 0.866 nan 8.310 nan 0.000 0.529 321 A N 1.882 124.734 122.820 0.053 0.000 2.545 321 A HA 0.290 4.609 4.320 -0.001 0.000 0.253 321 A C 1.058 178.688 177.584 0.076 0.000 1.074 321 A CA -0.154 51.932 52.037 0.082 0.000 0.760 321 A CB 0.128 19.194 19.000 0.110 0.000 1.005 321 A HN 0.494 nan 8.150 nan 0.000 0.506 322 K N 1.462 121.902 120.400 0.066 0.000 2.335 322 K HA 0.235 4.555 4.320 -0.001 0.000 0.195 322 K C -0.452 176.171 176.600 0.038 0.000 1.058 322 K CA 0.555 56.870 56.287 0.046 0.000 0.988 322 K CB 0.595 33.119 32.500 0.041 0.000 0.880 322 K HN 0.524 nan 8.250 nan 0.000 0.513 323 V N 2.210 122.162 119.914 0.063 0.000 2.709 323 V HA 0.369 4.489 4.120 -0.001 0.000 0.308 323 V C -1.063 175.092 176.094 0.102 0.000 1.062 323 V CA -0.937 61.401 62.300 0.063 0.000 0.901 323 V CB 2.532 34.398 31.823 0.072 0.000 1.003 323 V HN 0.072 nan 8.190 nan 0.000 0.425 324 I N 4.486 125.112 120.570 0.092 0.000 2.499 324 I HA 0.629 4.798 4.170 -0.001 0.000 0.288 324 I C -0.336 175.872 176.117 0.152 0.000 1.048 324 I CA -0.055 61.336 61.300 0.151 0.000 1.062 324 I CB 2.302 40.417 38.000 0.192 0.000 1.238 324 I HN 0.853 nan 8.210 nan 0.000 0.426 325 T N 5.072 119.725 114.554 0.164 0.000 2.779 325 T HA 0.651 5.000 4.350 -0.001 0.000 0.280 325 T C -0.446 174.348 174.700 0.157 0.000 0.987 325 T CA -0.655 61.536 62.100 0.152 0.000 0.966 325 T CB 1.504 70.470 68.868 0.163 0.000 0.933 325 T HN 0.271 nan 8.240 nan 0.000 0.442 326 V N 4.717 124.722 119.914 0.152 0.000 2.350 326 V HA 0.347 4.466 4.120 -0.001 0.000 0.276 326 V C -0.340 175.801 176.094 0.078 0.000 1.028 326 V CA -0.884 61.523 62.300 0.179 0.000 0.860 326 V CB 0.711 32.699 31.823 0.275 0.000 0.990 326 V HN 0.735 nan 8.190 nan 0.000 0.453 327 L N 5.001 126.281 121.223 0.094 0.000 2.276 327 L HA 0.499 4.838 4.340 -0.001 0.000 0.286 327 L C 0.170 177.193 176.870 0.255 0.000 1.061 327 L CA 0.321 55.209 54.840 0.080 0.000 0.807 327 L CB 0.923 42.906 42.059 -0.127 0.000 1.177 327 L HN 0.584 nan 8.230 nan 0.000 0.429 328 D N 3.130 123.653 120.400 0.205 0.000 2.391 328 D HA 0.236 4.876 4.640 -0.001 0.000 0.245 328 D C 0.066 176.348 176.300 -0.031 0.000 1.069 328 D CA -0.439 53.664 54.000 0.172 0.000 0.831 328 D CB 1.915 42.739 40.800 0.040 0.000 1.204 328 D HN 0.335 nan 8.370 nan 0.000 0.503 329 R N 1.925 122.324 120.500 -0.168 0.000 4.394 329 R HA 0.174 4.514 4.340 -0.001 0.000 0.257 329 R C -0.255 175.890 176.300 -0.257 0.000 1.727 329 R CA 0.091 55.783 56.100 -0.680 0.000 1.497 329 R CB 0.084 29.700 30.300 -1.141 0.000 1.406 329 R HN 0.357 nan 8.270 nan 0.000 0.745 330 T N -0.824 113.671 114.554 -0.097 0.000 2.665 330 T HA 0.365 4.715 4.350 -0.001 0.000 0.303 330 T C -2.114 172.556 174.700 -0.050 0.000 1.334 330 T CA -0.780 61.316 62.100 -0.006 0.000 1.011 330 T CB 1.404 70.380 68.868 0.180 0.000 1.573 330 T HN 0.157 nan 8.240 nan 0.000 0.492 331 K N 1.690 122.072 120.400 -0.030 0.000 2.615 331 K HA 0.433 4.753 4.320 -0.001 0.000 0.249 331 K C -1.614 174.967 176.600 -0.031 0.000 0.977 331 K CA -0.268 55.995 56.287 -0.040 0.000 0.833 331 K CB 1.302 33.783 32.500 -0.030 0.000 1.208 331 K HN 0.556 nan 8.250 nan 0.000 0.443 332 E N 5.531 125.704 120.200 -0.046 0.000 2.256 332 E HA 0.262 4.612 4.350 -0.001 0.000 0.243 332 E C -2.312 174.269 176.600 -0.033 0.000 0.925 332 E CA -1.984 54.393 56.400 -0.039 0.000 0.748 332 E CB 1.074 30.738 29.700 -0.060 0.000 1.206 332 E HN 0.421 nan 8.360 nan 0.000 0.428 333 P HA -0.062 nan 4.420 nan 0.000 0.261 333 P C 0.935 178.221 177.300 -0.023 0.000 1.183 333 P CA 0.953 64.040 63.100 -0.021 0.000 0.761 333 P CB 0.578 32.273 31.700 -0.009 0.000 0.785 334 G N 2.038 110.819 108.800 -0.031 0.000 2.284 334 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.247 334 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.247 334 G C 0.530 175.409 174.900 -0.035 0.000 1.012 334 G CA 0.049 45.130 45.100 -0.032 0.000 0.618 334 G HN 0.874 nan 8.290 nan 0.000 0.521 335 A N 1.253 124.053 122.820 -0.033 0.000 2.425 335 A HA 0.612 4.931 4.320 -0.001 0.000 0.242 335 A C 0.216 177.784 177.584 -0.026 0.000 1.077 335 A CA 0.109 52.131 52.037 -0.025 0.000 0.781 335 A CB 0.361 19.346 19.000 -0.025 0.000 1.020 335 A HN 0.289 nan 8.150 nan 0.000 0.494 336 P HA 0.128 nan 4.420 nan 0.000 0.233 336 P C 0.518 177.886 177.300 0.113 0.000 1.167 336 P CA 1.371 64.480 63.100 0.016 0.000 0.770 336 P CB 0.211 31.939 31.700 0.047 0.000 0.837 337 G N -0.678 108.203 108.800 0.134 0.000 2.519 337 G HA2 0.194 4.154 3.960 -0.001 0.000 0.292 337 G HA3 0.194 4.154 3.960 -0.001 0.000 0.292 337 G C -1.841 173.133 174.900 0.123 0.000 1.507 337 G CA -0.605 44.639 45.100 0.239 0.000 0.806 337 G HN -0.210 nan 8.290 nan 0.000 0.523 338 D N 0.952 121.390 120.400 0.064 0.000 2.358 338 D HA 0.267 4.906 4.640 -0.001 0.000 0.244 338 D C -1.204 175.044 176.300 -0.087 0.000 1.163 338 D CA -1.158 52.801 54.000 -0.068 0.000 0.945 338 D CB 1.604 42.334 40.800 -0.116 0.000 1.152 338 D HN -0.010 nan 8.370 nan 0.000 0.451 339 P HA -0.211 nan 4.420 nan 0.000 0.214 339 P C 1.585 178.849 177.300 -0.060 0.000 1.172 339 P CA 0.900 63.824 63.100 -0.294 0.000 0.925 339 P CB 0.139 31.342 31.700 -0.828 0.000 0.793 340 L N -1.939 119.297 121.223 0.023 0.000 2.017 340 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 340 L C 2.455 179.379 176.870 0.090 0.000 1.073 340 L CA 1.747 56.718 54.840 0.217 0.000 0.745 340 L CB -1.751 40.507 42.059 0.332 0.000 0.894 340 L HN -0.048 nan 8.230 nan 0.000 0.432 341 Y N -0.713 119.573 120.300 -0.023 0.000 2.128 341 Y HA -0.288 4.261 4.550 -0.001 0.000 0.284 341 Y C 2.202 178.057 175.900 -0.075 0.000 1.154 341 Y CA 1.898 59.973 58.100 -0.042 0.000 1.149 341 Y CB -0.453 37.970 38.460 -0.061 0.000 0.976 341 Y HN 0.186 nan 8.280 nan 0.000 0.505 342 L N 0.731 121.831 121.223 -0.204 0.000 2.017 342 L HA -0.234 4.106 4.340 -0.001 0.000 0.208 342 L C 2.175 178.832 176.870 -0.356 0.000 1.073 342 L CA 2.059 56.715 54.840 -0.307 0.000 0.745 342 L CB -1.159 40.813 42.059 -0.146 0.000 0.894 342 L HN 0.243 nan 8.230 nan 0.000 0.432 343 D N -0.892 119.269 120.400 -0.399 0.000 2.117 343 D HA -0.145 4.495 4.640 -0.001 0.000 0.197 343 D C 2.375 178.249 176.300 -0.710 0.000 0.987 343 D CA 1.247 54.819 54.000 -0.713 0.000 0.829 343 D CB -0.232 39.831 40.800 -1.229 0.000 0.961 343 D HN 0.161 nan 8.370 nan 0.000 0.460 344 V N 0.728 120.329 119.914 -0.521 0.000 2.358 344 V HA -0.244 3.876 4.120 -0.001 0.000 0.246 344 V C 2.745 178.748 176.094 -0.153 0.000 1.047 344 V CA 1.168 63.224 62.300 -0.407 0.000 1.035 344 V CB -0.535 31.173 31.823 -0.191 0.000 0.658 344 V HN 0.278 nan 8.190 nan 0.000 0.452 345 C N 0.747 119.907 119.300 -0.234 0.000 2.413 345 C HA -0.158 4.301 4.460 -0.001 0.000 0.276 345 C C 3.298 178.272 174.990 -0.026 0.000 1.248 345 C CA 1.614 60.548 59.018 -0.139 0.000 1.742 345 C CB -1.120 26.387 27.740 -0.388 0.000 2.017 345 C HN 0.777 nan 8.230 nan 0.000 0.481 346 S N 1.447 117.071 115.700 -0.127 0.000 2.419 346 S HA -0.065 4.404 4.470 -0.001 0.000 0.233 346 S C 1.901 176.501 174.600 0.000 0.000 1.016 346 S CA 1.398 59.554 58.200 -0.073 0.000 0.974 346 S CB -0.424 62.696 63.200 -0.134 0.000 0.786 346 S HN 0.615 nan 8.310 nan 0.000 0.492 347 A N 1.134 123.932 122.820 -0.037 0.000 1.873 347 A HA 0.155 4.475 4.320 -0.001 0.000 0.215 347 A C 1.899 179.627 177.584 0.239 0.000 1.186 347 A CA 1.268 53.331 52.037 0.043 0.000 0.616 347 A CB -1.116 17.702 19.000 -0.305 0.000 0.823 347 A HN 0.559 nan 8.150 nan 0.000 0.442 348 F N 0.161 120.288 119.950 0.295 0.000 2.234 348 F HA -0.155 4.371 4.527 -0.001 0.000 0.299 348 F C 2.498 178.383 175.800 0.141 0.000 1.087 348 F CA 1.572 59.757 58.000 0.308 0.000 1.340 348 F CB -0.293 38.840 39.000 0.221 0.000 1.031 348 F HN 0.185 nan 8.300 nan 0.000 0.500 349 V N -1.976 118.085 119.914 0.244 0.000 2.379 349 V HA -0.210 3.909 4.120 -0.001 0.000 0.245 349 V C 1.930 178.080 176.094 0.093 0.000 1.044 349 V CA 2.051 64.432 62.300 0.135 0.000 1.036 349 V CB -0.886 30.984 31.823 0.078 0.000 0.664 349 V HN 0.387 nan 8.190 nan 0.000 0.453 350 E N 0.499 120.752 120.200 0.088 0.000 2.152 350 E HA -0.204 4.146 4.350 -0.001 0.000 0.192 350 E C 2.460 179.079 176.600 0.030 0.000 0.983 350 E CA 0.874 57.309 56.400 0.058 0.000 0.818 350 E CB -0.138 29.601 29.700 0.065 0.000 0.758 350 E HN 0.616 nan 8.360 nan 0.000 0.467 351 R N 0.157 120.669 120.500 0.020 0.000 2.127 351 R HA -0.125 4.214 4.340 -0.001 0.000 0.238 351 R C 1.172 177.437 176.300 -0.058 0.000 1.134 351 R CA 1.219 57.249 56.100 -0.115 0.000 0.975 351 R CB -0.501 29.617 30.300 -0.303 0.000 0.865 351 R HN 0.285 nan 8.270 nan 0.000 0.447 352 G N 0.732 109.541 108.800 0.014 0.000 2.341 352 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.292 352 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.292 352 G C -0.285 174.622 174.900 0.011 0.000 1.021 352 G CA 1.213 46.326 45.100 0.022 0.000 0.905 352 G HN 0.586 nan 8.290 nan 0.000 0.508 353 E N -0.726 119.487 120.200 0.021 0.000 4.448 353 E HA 0.675 5.024 4.350 -0.001 0.000 0.159 353 E C 1.005 177.642 176.600 0.062 0.000 1.117 353 E CA -0.539 55.870 56.400 0.016 0.000 0.873 353 E CB 0.031 29.711 29.700 -0.033 0.000 1.896 353 E HN 0.742 nan 8.360 nan 0.000 0.412 354 A N 1.593 124.456 122.820 0.072 0.000 2.546 354 A HA 0.183 4.503 4.320 -0.001 0.000 0.243 354 A C -0.198 177.487 177.584 0.168 0.000 1.063 354 A CA 0.617 52.715 52.037 0.103 0.000 0.757 354 A CB -0.066 18.997 19.000 0.105 0.000 0.991 354 A HN 0.284 nan 8.150 nan 0.000 0.503 355 M N 5.188 124.839 119.600 0.085 0.000 2.182 355 M HA 0.258 4.737 4.480 -0.001 0.000 0.285 355 M C -2.198 174.054 176.300 -0.079 0.000 0.956 355 M CA -2.098 53.212 55.300 0.018 0.000 0.878 355 M CB 0.341 32.956 32.600 0.024 0.000 1.373 355 M HN 0.580 nan 8.290 nan 0.000 0.393 356 P HA 0.194 nan 4.420 nan 0.000 0.273 356 P C -0.490 176.705 177.300 -0.175 0.000 1.250 356 P CA -0.409 62.608 63.100 -0.138 0.000 0.793 356 P CB 1.282 32.909 31.700 -0.120 0.000 1.011 357 K N 0.967 121.319 120.400 -0.081 0.000 2.339 357 K HA 0.268 4.587 4.320 -0.001 0.000 0.286 357 K C -0.646 175.924 176.600 -0.049 0.000 1.050 357 K CA -0.367 55.890 56.287 -0.050 0.000 0.956 357 K CB -0.173 32.325 32.500 -0.004 0.000 0.990 357 K HN 0.266 nan 8.250 nan 0.000 0.475 358 I N 5.603 126.153 120.570 -0.033 0.000 2.378 358 I HA 0.243 4.412 4.170 -0.001 0.000 0.291 358 I C -0.970 175.213 176.117 0.111 0.000 0.992 358 I CA -0.599 60.726 61.300 0.043 0.000 1.154 358 I CB 1.370 39.394 38.000 0.040 0.000 1.315 358 I HN 0.413 nan 8.210 nan 0.000 0.448 359 L N 5.681 126.957 121.223 0.089 0.000 2.342 359 L HA 0.885 5.225 4.340 -0.001 0.000 0.271 359 L C 0.043 176.807 176.870 -0.176 0.000 1.008 359 L CA -0.626 54.200 54.840 -0.025 0.000 0.818 359 L CB 1.764 43.883 42.059 0.100 0.000 1.296 359 L HN 0.662 nan 8.230 nan 0.000 0.427 360 A N 0.685 123.144 122.820 -0.602 0.000 2.330 360 A HA 0.899 5.218 4.320 -0.001 0.000 0.327 360 A C -0.109 176.894 177.584 -0.969 0.000 1.155 360 A CA -0.156 51.394 52.037 -0.812 0.000 0.803 360 A CB 1.123 19.252 19.000 -1.451 0.000 1.208 360 A HN 0.746 nan 8.150 nan 0.000 0.477 361 G N 0.870 109.108 108.800 -0.937 0.000 2.638 361 G HA2 0.579 4.539 3.960 -0.001 0.000 0.302 361 G HA3 0.579 4.539 3.960 -0.001 0.000 0.302 361 G C -0.806 173.783 174.900 -0.519 0.000 1.365 361 G CA -0.684 43.520 45.100 -1.494 0.000 0.987 361 G HN 0.869 nan 8.290 nan 0.000 0.495 362 R N 0.623 120.920 120.500 -0.337 0.000 2.532 362 R HA 0.727 5.067 4.340 -0.001 0.000 0.295 362 R C -1.075 175.280 176.300 0.092 0.000 0.968 362 R CA -0.740 55.310 56.100 -0.083 0.000 0.916 362 R CB 1.244 31.485 30.300 -0.100 0.000 1.124 362 R HN 0.739 nan 8.270 nan 0.000 0.463 363 Y N 0.013 120.237 120.300 -0.127 0.000 2.705 363 Y HA 0.498 5.048 4.550 -0.001 0.000 0.332 363 Y C 0.492 176.313 175.900 -0.131 0.000 1.221 363 Y CA -0.952 57.082 58.100 -0.110 0.000 1.059 363 Y CB 0.481 38.779 38.460 -0.271 0.000 1.298 363 Y HN 0.719 nan 8.280 nan 0.000 0.459 364 G N 0.910 109.649 108.800 -0.101 0.000 2.309 364 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.286 364 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.286 364 G C -0.441 174.339 174.900 -0.199 0.000 1.002 364 G CA 0.466 45.474 45.100 -0.154 0.000 0.786 364 G HN 0.637 nan 8.290 nan 0.000 0.511 365 L N 0.283 121.407 121.223 -0.164 0.000 2.540 365 L HA 0.455 4.794 4.340 -0.001 0.000 0.276 365 L C 1.735 178.586 176.870 -0.032 0.000 1.212 365 L CA 1.598 56.376 54.840 -0.104 0.000 0.893 365 L CB 0.295 42.315 42.059 -0.066 0.000 1.138 365 L HN 1.210 nan 8.230 nan 0.000 0.491 366 G N 2.932 111.741 108.800 0.015 0.000 2.366 366 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.299 366 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.299 366 G C 0.768 175.714 174.900 0.077 0.000 1.020 366 G CA 0.480 45.637 45.100 0.096 0.000 1.026 366 G HN 0.863 nan 8.290 nan 0.000 0.512 367 S N -2.336 113.418 115.700 0.091 0.000 3.476 367 S HA -0.245 4.225 4.470 -0.001 0.000 0.309 367 S C 1.105 175.701 174.600 -0.006 0.000 1.222 367 S CA 1.897 60.147 58.200 0.082 0.000 0.922 367 S CB -0.649 62.653 63.200 0.170 0.000 1.023 367 S HN 1.564 nan 8.310 nan 0.000 0.591 368 K N 2.548 122.942 120.400 -0.010 0.000 2.485 368 K HA 0.079 4.399 4.320 -0.001 0.000 0.277 368 K C 0.227 176.870 176.600 0.073 0.000 0.990 368 K CA 0.357 56.646 56.287 0.003 0.000 0.994 368 K CB 0.417 32.930 32.500 0.021 0.000 0.906 368 K HN 0.130 nan 8.250 nan 0.000 0.488 369 E N 2.797 123.031 120.200 0.057 0.000 2.442 369 E HA -0.070 4.280 4.350 -0.001 0.000 0.262 369 E C -0.770 175.957 176.600 0.211 0.000 1.004 369 E CA 0.580 57.036 56.400 0.093 0.000 0.928 369 E CB 0.165 29.885 29.700 0.033 0.000 0.937 369 E HN 0.538 nan 8.360 nan 0.000 0.446 370 F N 2.617 122.600 119.950 0.056 0.000 2.691 370 F HA 0.136 4.662 4.527 -0.001 0.000 0.371 370 F C 0.004 175.786 175.800 -0.030 0.000 1.159 370 F CA -0.425 57.606 58.000 0.051 0.000 1.174 370 F CB 0.470 39.554 39.000 0.140 0.000 1.419 370 F HN 0.299 nan 8.300 nan 0.000 0.514 371 S N 3.758 119.198 115.700 -0.434 0.000 2.730 371 S HA 0.553 5.023 4.470 -0.001 0.000 0.284 371 S C -2.174 172.006 174.600 -0.701 0.000 1.153 371 S CA -1.339 56.493 58.200 -0.614 0.000 0.995 371 S CB 1.633 64.567 63.200 -0.444 0.000 1.058 371 S HN 0.314 nan 8.310 nan 0.000 0.552 372 P HA -0.062 nan 4.420 nan 0.000 0.215 372 P C 1.610 178.724 177.300 -0.311 0.000 1.153 372 P CA 2.040 64.947 63.100 -0.322 0.000 0.853 372 P CB -0.295 31.338 31.700 -0.112 0.000 0.788 373 A N -1.099 121.589 122.820 -0.220 0.000 1.940 373 A HA -0.229 4.090 4.320 -0.001 0.000 0.219 373 A C 2.174 179.522 177.584 -0.393 0.000 1.176 373 A CA 2.025 53.876 52.037 -0.310 0.000 0.631 373 A CB -1.456 17.477 19.000 -0.112 0.000 0.814 373 A HN 0.141 nan 8.150 nan 0.000 0.446 374 M N -1.057 118.307 119.600 -0.393 0.000 2.200 374 M HA -0.086 4.393 4.480 -0.001 0.000 0.265 374 M C 2.037 178.084 176.300 -0.422 0.000 1.066 374 M CA 1.022 56.104 55.300 -0.364 0.000 1.127 374 M CB -0.253 32.126 32.600 -0.370 0.000 1.379 374 M HN 0.245 nan 8.290 nan 0.000 0.420 375 V N 0.439 120.009 119.914 -0.574 0.000 2.358 375 V HA -0.246 3.874 4.120 -0.001 0.000 0.246 375 V C 2.350 178.293 176.094 -0.253 0.000 1.047 375 V CA 1.682 63.744 62.300 -0.397 0.000 1.035 375 V CB -0.651 30.990 31.823 -0.303 0.000 0.658 375 V HN 0.369 nan 8.190 nan 0.000 0.452 376 K N 0.779 120.944 120.400 -0.392 0.000 2.103 376 K HA -0.134 4.185 4.320 -0.001 0.000 0.207 376 K C 2.270 178.711 176.600 -0.266 0.000 1.048 376 K CA 1.928 57.962 56.287 -0.422 0.000 0.930 376 K CB -0.649 31.224 32.500 -1.046 0.000 0.716 376 K HN 0.420 nan 8.250 nan 0.000 0.444 377 S N -0.336 115.193 115.700 -0.286 0.000 2.368 377 S HA -0.093 4.376 4.470 -0.001 0.000 0.225 377 S C 1.898 176.354 174.600 -0.241 0.000 1.030 377 S CA 1.268 59.328 58.200 -0.233 0.000 0.999 377 S CB -0.278 62.792 63.200 -0.217 0.000 0.844 377 S HN 0.133 nan 8.310 nan 0.000 0.459 378 V N 0.386 120.153 119.914 -0.245 0.000 2.343 378 V HA -0.202 3.918 4.120 -0.001 0.000 0.247 378 V C 1.835 177.794 176.094 -0.226 0.000 1.051 378 V CA 1.673 63.810 62.300 -0.270 0.000 1.036 378 V CB -0.809 30.895 31.823 -0.198 0.000 0.654 378 V HN 0.535 nan 8.190 nan 0.000 0.451 379 Y N 0.111 120.357 120.300 -0.089 0.000 2.263 379 Y HA -0.171 4.378 4.550 -0.001 0.000 0.292 379 Y C 2.570 178.426 175.900 -0.073 0.000 1.130 379 Y CA 1.251 59.318 58.100 -0.055 0.000 1.179 379 Y CB -0.109 38.321 38.460 -0.050 0.000 0.998 379 Y HN 0.280 nan 8.280 nan 0.000 0.532 380 D N -0.246 120.175 120.400 0.035 0.000 2.178 380 D HA -0.174 4.466 4.640 -0.001 0.000 0.202 380 D C 1.718 177.988 176.300 -0.050 0.000 0.974 380 D CA 1.054 55.042 54.000 -0.019 0.000 0.841 380 D CB -0.474 40.285 40.800 -0.068 0.000 0.953 380 D HN 0.295 nan 8.370 nan 0.000 0.478 381 N N 0.196 118.827 118.700 -0.114 0.000 2.223 381 N HA -0.104 4.635 4.740 -0.001 0.000 0.185 381 N C 1.671 177.140 175.510 -0.069 0.000 1.016 381 N CA 0.887 53.846 53.050 -0.152 0.000 0.863 381 N CB -0.106 38.179 38.487 -0.337 0.000 0.983 381 N HN 0.107 nan 8.380 nan 0.000 0.429 382 M N -0.719 118.872 119.600 -0.016 0.000 2.394 382 M HA -0.016 4.463 4.480 -0.001 0.000 0.264 382 M C 1.439 177.762 176.300 0.038 0.000 1.073 382 M CA 0.970 56.291 55.300 0.036 0.000 1.111 382 M CB 0.036 32.691 32.600 0.092 0.000 1.401 382 M HN 0.292 nan 8.290 nan 0.000 0.448 383 S N -1.370 114.347 115.700 0.029 0.000 2.511 383 S HA 0.251 4.721 4.470 -0.001 0.000 0.214 383 S C 1.142 175.746 174.600 0.007 0.000 0.997 383 S CA 0.021 58.235 58.200 0.024 0.000 0.908 383 S CB 0.186 63.402 63.200 0.027 0.000 0.803 383 S HN 0.399 nan 8.310 nan 0.000 0.504 384 G N 1.262 110.058 108.800 -0.007 0.000 3.345 384 G HA2 0.578 4.537 3.960 -0.001 0.000 0.202 384 G HA3 0.578 4.537 3.960 -0.001 0.000 0.202 384 G C 1.284 176.175 174.900 -0.016 0.000 1.740 384 G CA -0.012 45.079 45.100 -0.015 0.000 0.806 384 G HN 0.436 nan 8.290 nan 0.000 0.718 385 A N -0.384 122.419 122.820 -0.028 0.000 2.024 385 A HA 0.084 4.403 4.320 -0.001 0.000 0.220 385 A C 1.337 178.912 177.584 -0.014 0.000 1.164 385 A CA 1.948 53.972 52.037 -0.022 0.000 0.643 385 A CB -0.683 18.298 19.000 -0.032 0.000 0.806 385 A HN 0.643 nan 8.150 nan 0.000 0.451 386 K N -1.002 119.383 120.400 -0.024 0.000 3.148 386 K HA -0.187 4.133 4.320 -0.001 0.000 0.267 386 K C -0.037 176.574 176.600 0.019 0.000 0.996 386 K CA 0.986 57.271 56.287 -0.002 0.000 0.737 386 K CB -1.418 31.091 32.500 0.015 0.000 1.308 386 K HN 0.726 nan 8.250 nan 0.000 0.470 387 K N 1.452 121.853 120.400 0.002 0.000 2.401 387 K HA 0.053 4.373 4.320 -0.001 0.000 0.278 387 K C 0.062 176.767 176.600 0.176 0.000 1.018 387 K CA -0.134 56.191 56.287 0.062 0.000 0.981 387 K CB 0.518 33.038 32.500 0.033 0.000 0.933 387 K HN 0.126 nan 8.250 nan 0.000 0.477 388 N N 1.571 120.354 118.700 0.139 0.000 2.459 388 N HA 0.168 4.908 4.740 -0.001 0.000 0.288 388 N C -1.254 174.278 175.510 0.035 0.000 1.186 388 N CA -0.157 52.909 53.050 0.027 0.000 0.917 388 N CB 0.484 38.925 38.487 -0.076 0.000 1.219 388 N HN 0.701 nan 8.380 nan 0.000 0.525 389 H N -0.715 118.259 119.070 -0.160 0.000 2.604 389 H HA -0.206 4.350 4.556 -0.001 0.000 0.321 389 H C -0.583 174.671 175.328 -0.123 0.000 1.132 389 H CA 1.127 57.029 56.048 -0.242 0.000 1.129 389 H CB -1.950 27.712 29.762 -0.165 0.000 1.526 389 H HN 0.373 nan 8.280 nan 0.000 0.415 390 F N -1.151 118.785 119.950 -0.024 0.000 2.410 390 F HA 0.758 5.284 4.527 -0.001 0.000 0.324 390 F C 0.550 176.354 175.800 0.007 0.000 1.093 390 F CA -0.548 57.450 58.000 -0.003 0.000 1.028 390 F CB 1.043 40.033 39.000 -0.017 0.000 1.309 390 F HN 0.076 nan 8.300 nan 0.000 0.499 391 T N -0.961 113.815 114.554 0.369 0.000 2.907 391 T HA 0.777 5.127 4.350 -0.001 0.000 0.292 391 T C -1.310 173.598 174.700 0.347 0.000 1.043 391 T CA -0.794 61.457 62.100 0.252 0.000 1.003 391 T CB 1.442 70.382 68.868 0.121 0.000 1.084 391 T HN 0.729 nan 8.240 nan 0.000 0.483 392 V N 1.099 121.198 119.914 0.309 0.000 2.686 392 V HA 0.786 4.905 4.120 -0.001 0.000 0.306 392 V C 0.961 177.189 176.094 0.222 0.000 1.065 392 V CA -0.005 62.450 62.300 0.257 0.000 0.894 392 V CB 1.040 33.061 31.823 0.330 0.000 1.004 392 V HN 1.542 nan 8.190 nan 0.000 0.424 393 G N 4.091 112.974 108.800 0.139 0.000 2.255 393 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.196 393 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.196 393 G C -0.158 174.787 174.900 0.073 0.000 0.998 393 G CA 0.124 45.293 45.100 0.115 0.000 0.656 393 G HN 1.146 nan 8.290 nan 0.000 0.490 394 I N -2.605 118.008 120.570 0.072 0.000 3.145 394 I HA 0.858 5.028 4.170 -0.001 0.000 0.313 394 I C -0.706 175.443 176.117 0.053 0.000 1.122 394 I CA -1.435 59.899 61.300 0.057 0.000 0.987 394 I CB 2.277 40.307 38.000 0.050 0.000 1.236 394 I HN -0.021 nan 8.210 nan 0.000 0.453 395 E N 2.256 122.488 120.200 0.053 0.000 2.101 395 E HA 0.149 4.499 4.350 -0.001 0.000 0.260 395 E C -1.368 175.261 176.600 0.049 0.000 0.897 395 E CA -0.481 55.945 56.400 0.044 0.000 0.744 395 E CB 0.900 30.621 29.700 0.035 0.000 1.140 395 E HN 0.628 nan 8.360 nan 0.000 0.419 396 D N 4.356 124.784 120.400 0.046 0.000 2.522 396 D HA -0.014 4.625 4.640 -0.001 0.000 0.218 396 D C 0.243 176.563 176.300 0.034 0.000 1.149 396 D CA -0.359 53.667 54.000 0.044 0.000 0.981 396 D CB 0.471 41.297 40.800 0.044 0.000 1.041 396 D HN 0.441 nan 8.370 nan 0.000 0.518 397 D N 1.747 122.165 120.400 0.031 0.000 2.328 397 D HA -0.103 4.536 4.640 -0.001 0.000 0.226 397 D C 1.545 177.856 176.300 0.018 0.000 1.066 397 D CA 0.162 54.174 54.000 0.020 0.000 0.861 397 D CB -0.056 40.752 40.800 0.014 0.000 0.912 397 D HN 0.313 nan 8.370 nan 0.000 0.521 398 V N -1.406 118.522 119.914 0.023 0.000 2.521 398 V HA 0.087 4.206 4.120 -0.001 0.000 0.239 398 V C 2.005 178.109 176.094 0.016 0.000 1.053 398 V CA 1.378 63.690 62.300 0.019 0.000 1.073 398 V CB -0.657 31.180 31.823 0.024 0.000 0.746 398 V HN 0.252 nan 8.190 nan 0.000 0.476 399 T N -2.664 111.901 114.554 0.019 0.000 3.054 399 T HA 0.438 4.787 4.350 -0.001 0.000 0.255 399 T C 1.534 176.247 174.700 0.022 0.000 1.035 399 T CA 0.594 62.703 62.100 0.016 0.000 0.941 399 T CB 0.265 69.140 68.868 0.012 0.000 1.026 399 T HN 1.642 nan 8.240 nan 0.000 0.533 400 G N 2.278 111.093 108.800 0.026 0.000 2.273 400 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.280 400 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.280 400 G C 0.755 175.682 174.900 0.044 0.000 1.047 400 G CA 0.793 45.911 45.100 0.029 0.000 0.869 400 G HN 0.915 nan 8.290 nan 0.000 0.502 401 T N -2.415 112.172 114.554 0.056 0.000 3.081 401 T HA 0.435 4.785 4.350 -0.001 0.000 0.250 401 T C 1.471 176.245 174.700 0.124 0.000 1.100 401 T CA 0.972 63.125 62.100 0.089 0.000 1.038 401 T CB 0.164 69.079 68.868 0.079 0.000 0.962 401 T HN 1.447 nan 8.240 nan 0.000 0.516 402 S N 1.504 117.257 115.700 0.088 0.000 2.584 402 S HA 0.613 5.082 4.470 -0.001 0.000 0.273 402 S C -0.348 174.273 174.600 0.036 0.000 1.311 402 S CA -0.979 57.275 58.200 0.089 0.000 1.034 402 S CB 0.653 63.893 63.200 0.066 0.000 0.939 402 S HN 0.133 nan 8.310 nan 0.000 0.513 403 L N 3.416 124.641 121.223 0.002 0.000 2.326 403 L HA 0.481 4.820 4.340 -0.001 0.000 0.278 403 L C -1.820 175.008 176.870 -0.070 0.000 1.092 403 L CA -1.845 52.931 54.840 -0.106 0.000 0.810 403 L CB 0.291 42.199 42.059 -0.252 0.000 1.153 403 L HN 0.601 nan 8.230 nan 0.000 0.439 404 P HA 0.145 nan 4.420 nan 0.000 0.271 404 P C -1.126 176.128 177.300 -0.076 0.000 1.218 404 P CA -0.211 62.855 63.100 -0.058 0.000 0.780 404 P CB 1.147 32.816 31.700 -0.052 0.000 0.901 405 V N 2.882 122.760 119.914 -0.061 0.000 2.407 405 V HA 0.163 4.282 4.120 -0.001 0.000 0.291 405 V C 0.029 176.086 176.094 -0.061 0.000 1.018 405 V CA -0.420 61.833 62.300 -0.079 0.000 0.842 405 V CB 1.474 33.256 31.823 -0.069 0.000 0.996 405 V HN 0.523 nan 8.190 nan 0.000 0.426 406 D N 3.947 124.305 120.400 -0.071 0.000 2.411 406 D HA 0.159 4.798 4.640 -0.001 0.000 0.225 406 D C 0.895 177.193 176.300 -0.003 0.000 1.156 406 D CA -0.094 53.887 54.000 -0.031 0.000 0.874 406 D CB 0.626 41.412 40.800 -0.024 0.000 1.034 406 D HN 0.430 nan 8.370 nan 0.000 0.502 407 N N 2.456 121.157 118.700 0.003 0.000 2.571 407 N HA -0.058 4.681 4.740 -0.001 0.000 0.189 407 N C 0.986 176.524 175.510 0.046 0.000 1.154 407 N CA 0.143 53.204 53.050 0.019 0.000 0.907 407 N CB 0.431 38.921 38.487 0.004 0.000 0.977 407 N HN 0.441 nan 8.380 nan 0.000 0.449 408 A N 0.187 123.042 122.820 0.058 0.000 2.251 408 A HA 0.071 4.390 4.320 -0.001 0.000 0.209 408 A C 0.618 178.257 177.584 0.093 0.000 1.187 408 A CA -0.544 51.526 52.037 0.055 0.000 0.823 408 A CB -0.498 18.527 19.000 0.042 0.000 0.846 408 A HN 0.295 nan 8.150 nan 0.000 0.486 409 F N 1.287 121.201 119.950 -0.059 0.000 2.629 409 F HA 0.257 4.783 4.527 -0.001 0.000 0.377 409 F C 1.008 176.757 175.800 -0.085 0.000 1.101 409 F CA -0.321 57.633 58.000 -0.076 0.000 1.301 409 F CB 0.486 39.416 39.000 -0.117 0.000 1.062 409 F HN 0.320 nan 8.300 nan 0.000 0.583 410 A N 5.545 127.965 122.820 -0.667 0.000 2.507 410 A HA -0.012 4.307 4.320 -0.001 0.000 0.235 410 A C 0.040 177.199 177.584 -0.709 0.000 1.070 410 A CA -0.308 51.384 52.037 -0.574 0.000 0.768 410 A CB 0.037 18.784 19.000 -0.421 0.000 1.011 410 A HN 0.833 nan 8.150 nan 0.000 0.502 411 D N 0.799 120.989 120.400 -0.350 0.000 2.425 411 D HA 0.076 4.715 4.640 -0.001 0.000 0.247 411 D C 1.057 177.172 176.300 -0.308 0.000 1.147 411 D CA 1.025 54.883 54.000 -0.237 0.000 0.879 411 D CB 0.735 41.487 40.800 -0.080 0.000 1.179 411 D HN 0.555 nan 8.370 nan 0.000 0.456 412 T N -0.709 113.692 114.554 -0.256 0.000 3.092 412 T HA 0.077 4.427 4.350 -0.001 0.000 0.258 412 T C 0.927 175.629 174.700 0.003 0.000 1.031 412 T CA -0.389 61.583 62.100 -0.213 0.000 0.925 412 T CB -0.178 68.542 68.868 -0.247 0.000 1.036 412 T HN 0.424 nan 8.240 nan 0.000 0.544 413 T N 1.358 115.936 114.554 0.039 0.000 2.900 413 T HA 0.366 4.716 4.350 -0.001 0.000 0.307 413 T C -2.609 172.118 174.700 0.044 0.000 1.065 413 T CA -1.258 60.875 62.100 0.055 0.000 1.105 413 T CB -0.061 68.836 68.868 0.048 0.000 0.979 413 T HN -0.007 nan 8.240 nan 0.000 0.544 414 P HA 0.114 nan 4.420 nan 0.000 0.266 414 P C -0.075 177.250 177.300 0.041 0.000 1.193 414 P CA -0.309 62.809 63.100 0.031 0.000 0.770 414 P CB 0.383 32.086 31.700 0.005 0.000 0.836 415 K N 1.829 122.254 120.400 0.042 0.000 2.484 415 K HA 0.193 4.513 4.320 -0.001 0.000 0.280 415 K C 1.179 177.810 176.600 0.053 0.000 1.013 415 K CA 1.047 57.361 56.287 0.044 0.000 1.029 415 K CB -0.617 31.905 32.500 0.037 0.000 0.902 415 K HN 0.748 nan 8.250 nan 0.000 0.481 416 G N 2.438 111.273 108.800 0.058 0.000 2.213 416 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.236 416 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.236 416 G C 0.104 175.057 174.900 0.088 0.000 0.991 416 G CA 0.232 45.374 45.100 0.069 0.000 0.629 416 G HN 0.664 nan 8.290 nan 0.000 0.517 417 T N 1.751 116.355 114.554 0.084 0.000 2.902 417 T HA 0.465 4.814 4.350 -0.001 0.000 0.301 417 T C 0.682 175.451 174.700 0.115 0.000 1.012 417 T CA 0.433 62.593 62.100 0.100 0.000 1.151 417 T CB 1.063 69.972 68.868 0.068 0.000 0.946 417 T HN 0.327 nan 8.240 nan 0.000 0.542 418 I N 3.809 124.477 120.570 0.163 0.000 2.321 418 I HA 0.234 4.403 4.170 -0.001 0.000 0.291 418 I C 0.403 176.645 176.117 0.208 0.000 0.998 418 I CA -0.579 60.831 61.300 0.184 0.000 1.227 418 I CB 1.113 39.238 38.000 0.208 0.000 1.368 418 I HN 0.491 nan 8.210 nan 0.000 0.466 419 Q N 5.712 125.613 119.800 0.167 0.000 2.293 419 Q HA 0.560 4.900 4.340 -0.001 0.000 0.261 419 Q C -1.295 174.813 176.000 0.181 0.000 0.960 419 Q CA -0.689 55.201 55.803 0.145 0.000 0.882 419 Q CB 2.557 31.351 28.738 0.094 0.000 1.275 419 Q HN 0.618 nan 8.270 nan 0.000 0.445 420 C N 1.653 121.064 119.300 0.186 0.000 2.707 420 C HA 0.569 5.029 4.460 -0.001 0.000 0.313 420 C C -0.436 174.531 174.990 -0.039 0.000 1.209 420 C CA -0.763 58.343 59.018 0.146 0.000 1.635 420 C CB 1.741 29.670 27.740 0.314 0.000 2.206 420 C HN 0.804 nan 8.230 nan 0.000 0.485 421 Q N 0.459 120.105 119.800 -0.257 0.000 2.347 421 Q HA 0.677 5.017 4.340 -0.001 0.000 0.271 421 Q C -1.828 173.905 176.000 -0.444 0.000 1.064 421 Q CA -0.257 55.361 55.803 -0.308 0.000 0.800 421 Q CB 2.275 30.894 28.738 -0.198 0.000 1.304 421 Q HN 0.645 nan 8.270 nan 0.000 0.438 422 F N 0.750 120.595 119.950 -0.174 0.000 2.507 422 F HA 0.433 4.959 4.527 -0.001 0.000 0.328 422 F C -1.088 174.568 175.800 -0.240 0.000 1.136 422 F CA -0.683 57.228 58.000 -0.148 0.000 0.930 422 F CB 1.103 40.000 39.000 -0.170 0.000 1.166 422 F HN 0.426 nan 8.300 nan 0.000 0.436 423 W N 2.619 123.885 121.300 -0.056 0.000 2.291 423 W HA 0.655 5.315 4.660 -0.001 0.000 0.312 423 W C 0.351 176.947 176.519 0.128 0.000 1.061 423 W CA -0.763 56.609 57.345 0.044 0.000 1.296 423 W CB 1.536 31.084 29.460 0.147 0.000 1.223 423 W HN 0.643 nan 8.180 nan 0.000 0.421 424 G N 2.259 111.242 108.800 0.306 0.000 2.600 424 G HA2 0.685 4.644 3.960 -0.001 0.000 0.303 424 G HA3 0.685 4.644 3.960 -0.001 0.000 0.303 424 G C -2.044 173.113 174.900 0.429 0.000 1.253 424 G CA -0.998 44.305 45.100 0.339 0.000 0.974 424 G HN 0.327 nan 8.290 nan 0.000 0.483 425 L N 0.604 122.013 121.223 0.310 0.000 2.325 425 L HA 0.750 5.090 4.340 -0.001 0.000 0.278 425 L C 0.888 177.872 176.870 0.191 0.000 1.023 425 L CA -0.395 54.609 54.840 0.273 0.000 0.811 425 L CB 1.369 43.513 42.059 0.141 0.000 1.249 425 L HN 0.732 nan 8.230 nan 0.000 0.431 426 G N 3.616 112.525 108.800 0.182 0.000 2.265 426 G HA2 0.398 4.357 3.960 -0.001 0.000 0.240 426 G HA3 0.398 4.357 3.960 -0.001 0.000 0.240 426 G C 0.744 175.705 174.900 0.103 0.000 1.270 426 G CA 0.348 45.532 45.100 0.139 0.000 0.901 426 G HN 1.929 nan 8.290 nan 0.000 0.507 427 A N 1.847 124.718 122.820 0.084 0.000 3.021 427 A HA -0.188 4.132 4.320 -0.001 0.000 0.257 427 A C 1.432 179.050 177.584 0.057 0.000 1.277 427 A CA 1.655 53.727 52.037 0.059 0.000 1.012 427 A CB -1.852 17.178 19.000 0.049 0.000 1.147 427 A HN 1.232 nan 8.150 nan 0.000 0.861 428 D N -1.078 119.367 120.400 0.075 0.000 2.328 428 D HA 0.389 5.028 4.640 -0.001 0.000 0.221 428 D C 1.437 177.779 176.300 0.070 0.000 1.072 428 D CA 0.927 54.971 54.000 0.073 0.000 0.850 428 D CB -0.642 40.218 40.800 0.100 0.000 0.922 428 D HN 1.836 nan 8.370 nan 0.000 0.516 429 G N -0.313 108.521 108.800 0.057 0.000 2.162 429 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.260 429 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.260 429 G C 1.157 176.081 174.900 0.040 0.000 0.976 429 G CA 0.838 45.961 45.100 0.038 0.000 0.655 429 G HN 0.373 nan 8.290 nan 0.000 0.533 430 T N 0.302 114.907 114.554 0.086 0.000 2.674 430 T HA -0.112 4.237 4.350 -0.001 0.000 0.265 430 T C 2.570 177.242 174.700 -0.046 0.000 1.039 430 T CA 1.845 64.008 62.100 0.106 0.000 1.150 430 T CB -0.250 68.746 68.868 0.213 0.000 0.864 430 T HN 0.325 nan 8.240 nan 0.000 0.427 431 V N 1.448 121.300 119.914 -0.104 0.000 2.332 431 V HA -0.142 3.977 4.120 -0.001 0.000 0.248 431 V C 2.857 178.790 176.094 -0.269 0.000 1.055 431 V CA 2.033 64.145 62.300 -0.313 0.000 1.038 431 V CB -1.401 30.163 31.823 -0.430 0.000 0.651 431 V HN 0.619 nan 8.190 nan 0.000 0.450 432 G N -0.526 108.185 108.800 -0.148 0.000 2.418 432 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.217 432 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.217 432 G C 1.778 176.645 174.900 -0.055 0.000 1.158 432 G CA 1.026 46.068 45.100 -0.097 0.000 0.771 432 G HN 0.613 nan 8.290 nan 0.000 0.545 433 A N 1.355 124.151 122.820 -0.039 0.000 1.902 433 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 433 A C 2.288 179.832 177.584 -0.066 0.000 1.181 433 A CA 1.914 53.947 52.037 -0.008 0.000 0.623 433 A CB -0.452 18.556 19.000 0.013 0.000 0.818 433 A HN 0.352 nan 8.150 nan 0.000 0.443 434 N N 0.143 118.741 118.700 -0.170 0.000 2.166 434 N HA -0.126 4.613 4.740 -0.001 0.000 0.186 434 N C 1.602 177.115 175.510 0.005 0.000 1.019 434 N CA 1.525 54.437 53.050 -0.231 0.000 0.856 434 N CB -0.340 38.033 38.487 -0.190 0.000 0.993 434 N HN 0.584 nan 8.380 nan 0.000 0.426 435 K N 0.713 121.146 120.400 0.054 0.000 2.057 435 K HA -0.044 4.275 4.320 -0.001 0.000 0.206 435 K C 1.967 178.624 176.600 0.095 0.000 1.050 435 K CA 0.799 57.148 56.287 0.103 0.000 0.935 435 K CB -0.010 32.507 32.500 0.027 0.000 0.715 435 K HN 0.147 nan 8.250 nan 0.000 0.439 436 Q N 0.310 120.154 119.800 0.073 0.000 2.124 436 Q HA -0.118 4.222 4.340 -0.001 0.000 0.202 436 Q C 2.205 178.324 176.000 0.198 0.000 0.977 436 Q CA 1.593 57.461 55.803 0.108 0.000 0.850 436 Q CB -0.277 28.520 28.738 0.098 0.000 0.901 436 Q HN 0.337 nan 8.270 nan 0.000 0.429 437 A N 0.844 123.791 122.820 0.211 0.000 1.902 437 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 437 A C 2.167 179.937 177.584 0.311 0.000 1.181 437 A CA 1.125 53.346 52.037 0.305 0.000 0.623 437 A CB -0.659 18.332 19.000 -0.014 0.000 0.818 437 A HN 0.315 nan 8.150 nan 0.000 0.443 438 I N -0.954 119.784 120.570 0.279 0.000 2.226 438 I HA -0.268 3.902 4.170 -0.001 0.000 0.245 438 I C 2.525 178.792 176.117 0.251 0.000 1.100 438 I CA 1.710 63.214 61.300 0.340 0.000 1.374 438 I CB -0.270 37.862 38.000 0.219 0.000 1.057 438 I HN 0.201 nan 8.210 nan 0.000 0.413 439 K N 1.087 121.596 120.400 0.181 0.000 2.009 439 K HA -0.122 4.197 4.320 -0.001 0.000 0.210 439 K C 1.926 178.607 176.600 0.135 0.000 1.049 439 K CA 1.528 57.892 56.287 0.129 0.000 0.929 439 K CB -0.303 32.252 32.500 0.093 0.000 0.714 439 K HN 0.213 nan 8.250 nan 0.000 0.440 440 I N 0.393 121.068 120.570 0.175 0.000 2.099 440 I HA -0.323 3.847 4.170 -0.001 0.000 0.239 440 I C 2.121 178.337 176.117 0.165 0.000 1.066 440 I CA 1.475 62.876 61.300 0.168 0.000 1.324 440 I CB -0.334 37.815 38.000 0.248 0.000 1.037 440 I HN 0.134 nan 8.210 nan 0.000 0.401 441 I N 0.663 121.364 120.570 0.219 0.000 2.226 441 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 441 I C 2.657 178.852 176.117 0.130 0.000 1.100 441 I CA 1.648 63.035 61.300 0.145 0.000 1.374 441 I CB -0.919 37.108 38.000 0.045 0.000 1.057 441 I HN 0.303 nan 8.210 nan 0.000 0.413 442 G N 0.331 109.230 108.800 0.166 0.000 2.422 442 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.218 442 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.218 442 G C 1.140 176.065 174.900 0.042 0.000 1.146 442 G CA 0.834 45.997 45.100 0.106 0.000 0.769 442 G HN 0.300 nan 8.290 nan 0.000 0.547 443 D N 0.128 120.557 120.400 0.047 0.000 2.347 443 D HA 0.026 4.665 4.640 -0.001 0.000 0.213 443 D C 1.366 177.670 176.300 0.006 0.000 0.985 443 D CA 0.387 54.397 54.000 0.017 0.000 0.879 443 D CB 0.130 40.942 40.800 0.019 0.000 0.919 443 D HN 0.261 nan 8.370 nan 0.000 0.526 444 N N -0.243 118.466 118.700 0.016 0.000 2.194 444 N HA 0.034 4.773 4.740 -0.001 0.000 0.231 444 N C 0.033 175.541 175.510 -0.003 0.000 1.247 444 N CA 0.188 53.240 53.050 0.002 0.000 0.884 444 N CB 1.748 40.238 38.487 0.005 0.000 1.146 444 N HN 0.180 nan 8.380 nan 0.000 0.516 445 T N -3.034 111.517 114.554 -0.004 0.000 2.812 445 T HA 0.372 4.722 4.350 -0.001 0.000 0.294 445 T C -0.653 174.022 174.700 -0.042 0.000 1.159 445 T CA -0.560 61.533 62.100 -0.012 0.000 1.008 445 T CB 1.763 70.634 68.868 0.005 0.000 1.289 445 T HN -0.284 nan 8.240 nan 0.000 0.514 446 D N 0.262 120.630 120.400 -0.053 0.000 2.342 446 D HA 0.333 4.972 4.640 -0.001 0.000 0.221 446 D C 0.175 176.371 176.300 -0.173 0.000 1.101 446 D CA -0.131 53.798 54.000 -0.117 0.000 0.837 446 D CB -0.061 40.693 40.800 -0.077 0.000 0.938 446 D HN 0.370 nan 8.370 nan 0.000 0.508 447 L N 0.632 121.815 121.223 -0.066 0.000 2.417 447 L HA 0.263 4.603 4.340 -0.001 0.000 0.268 447 L C 0.132 176.976 176.870 -0.042 0.000 1.158 447 L CA -0.516 54.343 54.840 0.032 0.000 0.819 447 L CB 0.416 42.573 42.059 0.163 0.000 1.112 447 L HN -0.094 nan 8.230 nan 0.000 0.458 448 F N 1.054 121.075 119.950 0.119 0.000 2.371 448 F HA 0.556 5.082 4.527 -0.001 0.000 0.329 448 F C 0.568 176.429 175.800 0.102 0.000 1.107 448 F CA -0.237 57.813 58.000 0.084 0.000 1.137 448 F CB 1.201 40.228 39.000 0.044 0.000 1.214 448 F HN 0.435 nan 8.300 nan 0.000 0.536 449 A N 2.561 125.499 122.820 0.197 0.000 2.422 449 A HA 0.647 4.966 4.320 -0.001 0.000 0.302 449 A C -1.286 176.240 177.584 -0.097 0.000 1.041 449 A CA -0.611 51.415 52.037 -0.019 0.000 0.708 449 A CB 1.811 20.898 19.000 0.146 0.000 1.257 449 A HN 0.709 nan 8.150 nan 0.000 0.414 450 Q N 1.383 121.013 119.800 -0.283 0.000 2.331 450 Q HA 0.632 4.971 4.340 -0.001 0.000 0.272 450 Q C -0.781 175.078 176.000 -0.235 0.000 1.062 450 Q CA -0.614 55.084 55.803 -0.175 0.000 0.806 450 Q CB 2.321 30.976 28.738 -0.139 0.000 1.312 450 Q HN 1.157 nan 8.270 nan 0.000 0.431 451 G N 1.986 110.701 108.800 -0.142 0.000 2.638 451 G HA2 0.568 4.528 3.960 -0.001 0.000 0.302 451 G HA3 0.568 4.528 3.960 -0.001 0.000 0.302 451 G C -2.434 172.322 174.900 -0.240 0.000 1.365 451 G CA -0.293 44.651 45.100 -0.259 0.000 0.987 451 G HN 0.497 nan 8.290 nan 0.000 0.495 452 Y N 1.205 121.114 120.300 -0.651 0.000 2.441 452 Y HA 0.693 5.242 4.550 -0.001 0.000 0.334 452 Y C -1.848 173.665 175.900 -0.646 0.000 1.061 452 Y CA -1.597 56.246 58.100 -0.429 0.000 1.032 452 Y CB 1.698 40.036 38.460 -0.203 0.000 1.266 452 Y HN 0.485 nan 8.280 nan 0.000 0.441 453 F N 2.958 122.589 119.950 -0.532 0.000 2.520 453 F HA 0.640 5.167 4.527 -0.001 0.000 0.322 453 F C -0.039 175.330 175.800 -0.718 0.000 1.103 453 F CA -0.843 56.846 58.000 -0.518 0.000 0.926 453 F CB 2.319 40.998 39.000 -0.534 0.000 1.154 453 F HN 0.306 nan 8.300 nan 0.000 0.453 454 S N 2.234 117.711 115.700 -0.371 0.000 2.437 454 S HA 0.579 5.049 4.470 -0.001 0.000 0.305 454 S C -0.915 173.452 174.600 -0.388 0.000 1.109 454 S CA -0.594 57.441 58.200 -0.276 0.000 1.099 454 S CB 0.539 63.663 63.200 -0.126 0.000 1.004 454 S HN 0.432 nan 8.310 nan 0.000 0.475 455 Y N 1.006 121.289 120.300 -0.027 0.000 2.698 455 Y HA 0.581 5.131 4.550 -0.001 0.000 0.349 455 Y C 0.676 176.568 175.900 -0.014 0.000 1.242 455 Y CA -0.883 57.212 58.100 -0.009 0.000 1.341 455 Y CB 0.547 39.014 38.460 0.013 0.000 1.558 455 Y HN 0.418 nan 8.280 nan 0.000 0.649 456 D N -1.718 118.813 120.400 0.218 0.000 2.419 456 D HA 0.315 4.955 4.640 -0.001 0.000 0.234 456 D C 0.033 176.416 176.300 0.137 0.000 1.014 456 D CA -0.325 53.754 54.000 0.132 0.000 0.919 456 D CB 2.257 43.132 40.800 0.123 0.000 1.366 456 D HN 0.393 nan 8.370 nan 0.000 0.490 457 S N 0.249 116.019 115.700 0.117 0.000 2.461 457 S HA 0.017 4.487 4.470 -0.001 0.000 0.228 457 S C 0.526 175.202 174.600 0.127 0.000 1.005 457 S CA 0.312 58.580 58.200 0.114 0.000 0.942 457 S CB 0.118 63.379 63.200 0.101 0.000 0.776 457 S HN 0.251 nan 8.310 nan 0.000 0.514 458 K N 2.360 122.842 120.400 0.137 0.000 2.379 458 K HA 0.175 4.494 4.320 -0.001 0.000 0.284 458 K C 0.575 177.259 176.600 0.140 0.000 1.044 458 K CA 0.126 56.502 56.287 0.149 0.000 0.974 458 K CB 0.658 33.250 32.500 0.154 0.000 0.962 458 K HN 0.191 nan 8.250 nan 0.000 0.474 459 K N 0.449 120.935 120.400 0.143 0.000 2.228 459 K HA -0.028 4.292 4.320 -0.001 0.000 0.202 459 K C 0.902 177.567 176.600 0.108 0.000 1.051 459 K CA 0.560 56.920 56.287 0.122 0.000 0.960 459 K CB 0.290 32.870 32.500 0.133 0.000 0.743 459 K HN 0.381 nan 8.250 nan 0.000 0.458 460 S N -1.003 114.763 115.700 0.110 0.000 2.513 460 S HA 0.468 4.937 4.470 -0.001 0.000 0.299 460 S C 0.141 174.799 174.600 0.095 0.000 1.087 460 S CA -0.144 58.108 58.200 0.087 0.000 1.012 460 S CB 1.550 64.786 63.200 0.061 0.000 1.044 460 S HN 0.467 nan 8.310 nan 0.000 0.485 461 G N 2.833 111.690 108.800 0.096 0.000 2.305 461 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.287 461 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.287 461 G C 0.509 175.512 174.900 0.171 0.000 1.036 461 G CA 0.214 45.386 45.100 0.119 0.000 0.887 461 G HN 1.141 nan 8.290 nan 0.000 0.505 462 G N -1.122 107.780 108.800 0.170 0.000 2.537 462 G HA2 0.606 4.566 3.960 -0.001 0.000 0.273 462 G HA3 0.606 4.566 3.960 -0.001 0.000 0.273 462 G C 0.035 175.069 174.900 0.224 0.000 1.189 462 G CA -0.268 44.945 45.100 0.188 0.000 0.881 462 G HN 0.946 nan 8.290 nan 0.000 0.535 463 I N -0.261 120.416 120.570 0.178 0.000 2.396 463 I HA 0.552 4.722 4.170 -0.001 0.000 0.292 463 I C 0.027 176.150 176.117 0.011 0.000 0.999 463 I CA -0.190 61.177 61.300 0.111 0.000 1.310 463 I CB 1.626 39.557 38.000 -0.114 0.000 1.404 463 I HN 0.332 nan 8.210 nan 0.000 0.496 464 T N 8.136 122.685 114.554 -0.008 0.000 2.861 464 T HA 0.590 4.940 4.350 -0.001 0.000 0.287 464 T C -1.092 173.462 174.700 -0.244 0.000 1.003 464 T CA -0.248 61.778 62.100 -0.124 0.000 0.977 464 T CB 1.279 70.111 68.868 -0.059 0.000 0.996 464 T HN 0.504 nan 8.240 nan 0.000 0.448 465 I N 2.410 122.763 120.570 -0.361 0.000 2.447 465 I HA 0.562 4.731 4.170 -0.001 0.000 0.287 465 I C -0.702 175.251 176.117 -0.273 0.000 1.023 465 I CA -0.161 60.824 61.300 -0.524 0.000 1.083 465 I CB 1.631 39.120 38.000 -0.851 0.000 1.245 465 I HN 0.529 nan 8.210 nan 0.000 0.434 466 S N 5.873 121.460 115.700 -0.188 0.000 2.525 466 S HA 0.570 5.040 4.470 -0.001 0.000 0.290 466 S C -1.037 173.431 174.600 -0.220 0.000 1.152 466 S CA -0.357 57.816 58.200 -0.045 0.000 1.072 466 S CB 0.706 64.014 63.200 0.180 0.000 1.027 466 S HN 0.589 nan 8.310 nan 0.000 0.500 467 H N 1.583 120.547 119.070 -0.176 0.000 2.762 467 H HA 0.510 5.065 4.556 -0.001 0.000 0.310 467 H C -0.733 174.511 175.328 -0.140 0.000 1.004 467 H CA -0.378 55.616 56.048 -0.091 0.000 1.267 467 H CB 0.421 30.140 29.762 -0.073 0.000 1.437 467 H HN 0.325 nan 8.280 nan 0.000 0.498 468 L N 3.015 124.269 121.223 0.052 0.000 2.342 468 L HA 0.678 5.017 4.340 -0.001 0.000 0.271 468 L C 0.008 176.816 176.870 -0.104 0.000 1.008 468 L CA -0.882 53.917 54.840 -0.068 0.000 0.818 468 L CB 2.105 44.211 42.059 0.078 0.000 1.296 468 L HN 0.446 nan 8.230 nan 0.000 0.427 469 R N 2.111 122.388 120.500 -0.370 0.000 2.621 469 R HA 0.688 5.027 4.340 -0.001 0.000 0.284 469 R C -1.778 174.196 176.300 -0.544 0.000 0.998 469 R CA -0.636 55.307 56.100 -0.262 0.000 0.895 469 R CB 2.525 32.732 30.300 -0.156 0.000 1.195 469 R HN 0.346 nan 8.270 nan 0.000 0.450 470 F N 0.095 120.113 119.950 0.113 0.000 2.569 470 F HA 0.729 5.255 4.527 -0.001 0.000 0.312 470 F C 0.546 176.416 175.800 0.118 0.000 1.109 470 F CA -0.623 57.452 58.000 0.126 0.000 0.919 470 F CB 2.833 41.907 39.000 0.124 0.000 1.211 470 F HN 0.647 nan 8.300 nan 0.000 0.446 471 G N 1.476 110.467 108.800 0.318 0.000 2.623 471 G HA2 0.369 4.329 3.960 -0.001 0.000 0.290 471 G HA3 0.369 4.329 3.960 -0.001 0.000 0.290 471 G C -0.498 174.587 174.900 0.308 0.000 1.437 471 G CA -0.694 44.553 45.100 0.244 0.000 0.798 471 G HN 0.580 nan 8.290 nan 0.000 0.488 472 E N -0.538 119.804 120.200 0.237 0.000 2.285 472 E HA 0.035 4.384 4.350 -0.001 0.000 0.194 472 E C 0.431 177.241 176.600 0.350 0.000 0.997 472 E CA 0.577 57.137 56.400 0.267 0.000 0.845 472 E CB 0.188 29.983 29.700 0.158 0.000 0.782 472 E HN 0.125 nan 8.360 nan 0.000 0.491 473 K N 0.974 121.471 120.400 0.162 0.000 2.166 473 K HA 0.391 4.711 4.320 -0.001 0.000 0.245 473 K C -2.615 173.650 176.600 -0.559 0.000 0.967 473 K CA -2.685 53.541 56.287 -0.102 0.000 0.863 473 K CB 0.464 32.923 32.500 -0.068 0.000 1.107 473 K HN -0.243 nan 8.250 nan 0.000 0.436 474 P HA 0.091 nan 4.420 nan 0.000 0.265 474 P C -0.400 176.643 177.300 -0.429 0.000 1.187 474 P CA 0.292 62.753 63.100 -1.065 0.000 0.766 474 P CB 0.290 31.595 31.700 -0.658 0.000 0.820 475 I N 3.442 123.849 120.570 -0.272 0.000 2.307 475 I HA 0.149 4.319 4.170 -0.001 0.000 0.289 475 I C 1.174 177.236 176.117 -0.091 0.000 1.021 475 I CA 0.146 61.370 61.300 -0.126 0.000 1.224 475 I CB 0.644 38.599 38.000 -0.075 0.000 1.376 475 I HN 0.306 nan 8.210 nan 0.000 0.470 476 Q N 3.041 122.802 119.800 -0.065 0.000 2.219 476 Q HA 0.161 4.501 4.340 -0.001 0.000 0.209 476 Q C 0.183 176.181 176.000 -0.002 0.000 0.854 476 Q CA -0.110 55.685 55.803 -0.015 0.000 0.960 476 Q CB 0.566 29.314 28.738 0.016 0.000 1.116 476 Q HN 0.598 nan 8.270 nan 0.000 0.500 477 S N 2.306 117.944 115.700 -0.104 0.000 3.455 477 S HA 0.007 4.476 4.470 -0.001 0.000 0.288 477 S C 0.641 175.000 174.600 -0.403 0.000 1.231 477 S CA -0.020 57.983 58.200 -0.328 0.000 1.031 477 S CB -0.358 62.474 63.200 -0.614 0.000 1.570 477 S HN 0.270 nan 8.310 nan 0.000 0.519 478 T N 1.220 115.733 114.554 -0.069 0.000 3.843 478 T HA 0.410 4.760 4.350 -0.001 0.000 0.227 478 T C -0.270 174.450 174.700 0.033 0.000 1.043 478 T CA -0.618 61.459 62.100 -0.037 0.000 1.012 478 T CB -1.195 67.728 68.868 0.091 0.000 1.279 478 T HN 0.594 nan 8.240 nan 0.000 0.730 479 Y N -1.591 118.622 120.300 -0.146 0.000 2.656 479 Y HA 0.633 5.182 4.550 -0.001 0.000 0.334 479 Y C -0.939 174.819 175.900 -0.238 0.000 1.179 479 Y CA -2.169 55.824 58.100 -0.178 0.000 1.050 479 Y CB 0.673 39.074 38.460 -0.099 0.000 1.308 479 Y HN 0.036 nan 8.280 nan 0.000 0.456 480 L N 1.973 123.112 121.223 -0.140 0.000 2.482 480 L HA 0.275 4.614 4.340 -0.001 0.000 0.273 480 L C -0.003 176.868 176.870 0.001 0.000 1.228 480 L CA -0.955 53.713 54.840 -0.287 0.000 0.827 480 L CB 0.360 42.205 42.059 -0.357 0.000 1.099 480 L HN 0.537 nan 8.230 nan 0.000 0.494 481 V N 1.855 121.866 119.914 0.163 0.000 2.508 481 V HA -0.007 4.112 4.120 -0.001 0.000 0.281 481 V C 0.570 176.797 176.094 0.221 0.000 1.041 481 V CA 0.118 62.537 62.300 0.199 0.000 1.016 481 V CB 0.981 32.928 31.823 0.205 0.000 0.984 481 V HN 0.974 nan 8.190 nan 0.000 0.478 482 N N 3.363 122.172 118.700 0.181 0.000 2.166 482 N HA 0.146 4.885 4.740 -0.001 0.000 0.213 482 N C 0.316 175.884 175.510 0.096 0.000 1.222 482 N CA -0.241 52.891 53.050 0.136 0.000 0.900 482 N CB 0.517 39.073 38.487 0.115 0.000 1.055 482 N HN 0.556 nan 8.380 nan 0.000 0.515 483 R N 0.657 121.213 120.500 0.094 0.000 2.607 483 R HA 0.575 4.914 4.340 -0.001 0.000 0.278 483 R C -1.245 175.100 176.300 0.075 0.000 1.637 483 R CA -0.441 55.699 56.100 0.067 0.000 1.325 483 R CB 1.533 31.863 30.300 0.049 0.000 1.211 483 R HN 0.171 nan 8.270 nan 0.000 0.565 484 A N 1.331 124.195 122.820 0.073 0.000 2.316 484 A HA 0.257 4.577 4.320 -0.001 0.000 0.284 484 A C 0.013 177.657 177.584 0.099 0.000 1.115 484 A CA -0.503 51.584 52.037 0.085 0.000 0.812 484 A CB 0.590 19.629 19.000 0.064 0.000 1.064 484 A HN 0.628 nan 8.150 nan 0.000 0.489 485 D N -0.949 119.533 120.400 0.136 0.000 2.271 485 D HA 0.105 4.744 4.640 -0.001 0.000 0.206 485 D C -0.448 175.987 176.300 0.224 0.000 0.967 485 D CA 1.421 55.515 54.000 0.158 0.000 0.867 485 D CB 0.150 41.044 40.800 0.156 0.000 0.960 485 D HN 0.524 nan 8.370 nan 0.000 0.509 486 Y N 0.444 120.784 120.300 0.066 0.000 2.373 486 Y HA 0.497 5.047 4.550 -0.001 0.000 0.336 486 Y C -1.664 174.233 175.900 -0.005 0.000 0.979 486 Y CA -1.013 57.120 58.100 0.055 0.000 1.080 486 Y CB 1.413 39.905 38.460 0.053 0.000 1.190 486 Y HN -0.350 nan 8.280 nan 0.000 0.446 487 V N 5.295 124.941 119.914 -0.448 0.000 2.577 487 V HA 0.868 4.988 4.120 -0.001 0.000 0.303 487 V C -0.819 175.086 176.094 -0.314 0.000 1.042 487 V CA -0.540 61.591 62.300 -0.281 0.000 0.872 487 V CB 1.499 33.319 31.823 -0.006 0.000 0.998 487 V HN 0.936 nan 8.190 nan 0.000 0.423 488 A N 3.216 125.881 122.820 -0.258 0.000 2.356 488 A HA 0.701 5.021 4.320 -0.001 0.000 0.310 488 A C -0.682 177.041 177.584 0.232 0.000 1.075 488 A CA -0.441 51.586 52.037 -0.017 0.000 0.746 488 A CB 1.478 20.556 19.000 0.131 0.000 1.221 488 A HN 0.978 nan 8.150 nan 0.000 0.443 489 C N 3.108 122.597 119.300 0.315 0.000 2.271 489 C HA 0.543 5.003 4.460 -0.001 0.000 0.323 489 C C 0.865 176.083 174.990 0.380 0.000 1.245 489 C CA -0.354 58.883 59.018 0.366 0.000 1.548 489 C CB -1.337 26.616 27.740 0.354 0.000 2.214 489 C HN 1.005 nan 8.230 nan 0.000 0.477 490 H N 2.986 122.209 119.070 0.254 0.000 2.539 490 H HA 0.122 4.677 4.556 -0.001 0.000 0.267 490 H C 0.568 175.901 175.328 0.008 0.000 0.982 490 H CA 0.150 56.278 56.048 0.132 0.000 1.146 490 H CB 0.287 30.157 29.762 0.179 0.000 1.382 490 H HN 0.692 nan 8.280 nan 0.000 0.577 491 N N 1.216 119.948 118.700 0.052 0.000 2.540 491 N HA 0.062 4.801 4.740 -0.001 0.000 0.275 491 N C -2.054 173.306 175.510 -0.250 0.000 1.053 491 N CA -2.087 50.809 53.050 -0.257 0.000 0.876 491 N CB 1.651 39.689 38.487 -0.748 0.000 1.284 491 N HN -0.107 nan 8.380 nan 0.000 0.518 492 P HA -0.172 nan 4.420 nan 0.000 0.219 492 P C 1.016 178.339 177.300 0.038 0.000 1.146 492 P CA 0.916 63.906 63.100 -0.184 0.000 0.808 492 P CB 0.268 31.647 31.700 -0.535 0.000 0.779 493 A N -0.655 122.134 122.820 -0.051 0.000 2.019 493 A HA -0.182 4.137 4.320 -0.001 0.000 0.219 493 A C 2.245 179.933 177.584 0.175 0.000 1.164 493 A CA 1.037 53.108 52.037 0.056 0.000 0.644 493 A CB -1.803 17.191 19.000 -0.010 0.000 0.805 493 A HN 0.231 nan 8.150 nan 0.000 0.449 494 Y N -0.608 119.775 120.300 0.138 0.000 2.274 494 Y HA -0.182 4.367 4.550 -0.001 0.000 0.290 494 Y C 2.481 178.394 175.900 0.021 0.000 1.145 494 Y CA 0.450 58.628 58.100 0.129 0.000 1.203 494 Y CB -0.279 38.334 38.460 0.254 0.000 0.984 494 Y HN 0.132 nan 8.280 nan 0.000 0.533 495 V N -0.147 119.906 119.914 0.233 0.000 2.370 495 V HA -0.324 3.795 4.120 -0.001 0.000 0.252 495 V C 2.138 178.265 176.094 0.055 0.000 1.068 495 V CA 2.067 64.458 62.300 0.152 0.000 1.061 495 V CB -1.129 30.870 31.823 0.293 0.000 0.656 495 V HN 0.578 nan 8.190 nan 0.000 0.455 496 G N -1.159 107.680 108.800 0.065 0.000 3.371 496 G HA2 0.354 4.314 3.960 -0.001 0.000 0.248 496 G HA3 0.354 4.314 3.960 -0.001 0.000 0.248 496 G C 0.984 175.838 174.900 -0.076 0.000 1.161 496 G CA 0.543 45.637 45.100 -0.011 0.000 0.796 496 G HN 0.697 nan 8.290 nan 0.000 0.539 497 I N -5.879 114.602 120.570 -0.149 0.000 5.157 497 I HA 0.473 4.643 4.170 -0.001 0.000 0.350 497 I C -0.400 175.451 176.117 -0.443 0.000 1.233 497 I CA -0.566 60.532 61.300 -0.338 0.000 1.476 497 I CB 0.594 38.285 38.000 -0.515 0.000 1.619 497 I HN -0.085 nan 8.210 nan 0.000 0.557 498 Y N 1.632 121.883 120.300 -0.081 0.000 2.562 498 Y HA 0.493 5.042 4.550 -0.001 0.000 0.343 498 Y C -0.445 175.293 175.900 -0.271 0.000 1.025 498 Y CA -0.981 57.016 58.100 -0.172 0.000 1.082 498 Y CB 1.279 39.566 38.460 -0.289 0.000 1.264 498 Y HN -0.125 nan 8.280 nan 0.000 0.478 499 D N 1.919 122.301 120.400 -0.031 0.000 2.713 499 D HA 0.107 4.747 4.640 -0.001 0.000 0.229 499 D C 0.948 177.093 176.300 -0.258 0.000 1.136 499 D CA 0.218 54.149 54.000 -0.116 0.000 1.010 499 D CB -0.096 40.693 40.800 -0.019 0.000 1.084 499 D HN 0.399 nan 8.370 nan 0.000 0.495 500 I N 1.120 121.379 120.570 -0.518 0.000 2.194 500 I HA -0.244 3.925 4.170 -0.001 0.000 0.246 500 I C 1.565 177.419 176.117 -0.439 0.000 1.093 500 I CA 0.809 61.635 61.300 -0.789 0.000 1.355 500 I CB -0.524 37.018 38.000 -0.764 0.000 1.046 500 I HN 0.350 nan 8.210 nan 0.000 0.413 501 L N 0.537 121.517 121.223 -0.405 0.000 2.629 501 L HA 0.163 4.502 4.340 -0.001 0.000 0.230 501 L C 1.067 177.839 176.870 -0.163 0.000 1.151 501 L CA 0.049 54.684 54.840 -0.343 0.000 0.924 501 L CB -0.989 40.795 42.059 -0.459 0.000 1.137 501 L HN 0.206 nan 8.230 nan 0.000 0.457 502 E N 0.515 120.662 120.200 -0.087 0.000 2.480 502 E HA 0.220 4.569 4.350 -0.001 0.000 0.258 502 E C 1.352 177.956 176.600 0.006 0.000 0.984 502 E CA 0.778 57.164 56.400 -0.024 0.000 0.930 502 E CB 0.197 29.912 29.700 0.025 0.000 0.936 502 E HN 0.405 nan 8.360 nan 0.000 0.466 503 G N 4.397 113.197 108.800 -0.001 0.000 2.184 503 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.264 503 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.264 503 G C 0.443 175.352 174.900 0.015 0.000 0.975 503 G CA 0.246 45.356 45.100 0.016 0.000 0.642 503 G HN 0.684 nan 8.290 nan 0.000 0.536 504 I N 1.473 122.040 120.570 -0.005 0.000 2.752 504 I HA 0.185 4.354 4.170 -0.001 0.000 0.289 504 I C 0.931 177.059 176.117 0.020 0.000 1.197 504 I CA -0.061 61.241 61.300 0.004 0.000 1.432 504 I CB 0.252 38.231 38.000 -0.036 0.000 1.359 504 I HN 0.147 nan 8.210 nan 0.000 0.571 505 K N 5.905 126.331 120.400 0.043 0.000 2.355 505 K HA 0.065 4.385 4.320 -0.001 0.000 0.270 505 K C -0.495 176.138 176.600 0.055 0.000 1.003 505 K CA -0.547 55.769 56.287 0.048 0.000 0.957 505 K CB 0.224 32.760 32.500 0.060 0.000 0.939 505 K HN 0.506 nan 8.250 nan 0.000 0.482 506 D N 0.738 121.167 120.400 0.049 0.000 2.488 506 D HA 0.061 4.700 4.640 -0.001 0.000 0.238 506 D C 1.259 177.606 176.300 0.078 0.000 1.138 506 D CA 1.309 55.344 54.000 0.058 0.000 0.873 506 D CB 0.740 41.569 40.800 0.048 0.000 1.183 506 D HN 0.766 nan 8.370 nan 0.000 0.458 507 G N 1.564 110.424 108.800 0.100 0.000 2.179 507 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.260 507 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.260 507 G C 0.789 175.776 174.900 0.144 0.000 0.977 507 G CA 0.186 45.357 45.100 0.120 0.000 0.641 507 G HN 0.825 nan 8.290 nan 0.000 0.533 508 G N -0.803 108.080 108.800 0.138 0.000 2.667 508 G HA2 0.535 4.495 3.960 -0.001 0.000 0.250 508 G HA3 0.535 4.495 3.960 -0.001 0.000 0.250 508 G C 0.246 175.280 174.900 0.224 0.000 1.212 508 G CA 0.926 46.122 45.100 0.160 0.000 0.874 508 G HN 1.062 nan 8.290 nan 0.000 0.561 509 T N -0.935 113.773 114.554 0.255 0.000 2.829 509 T HA 0.544 4.893 4.350 -0.001 0.000 0.282 509 T C -1.336 173.533 174.700 0.283 0.000 0.990 509 T CA -0.657 61.642 62.100 0.330 0.000 1.028 509 T CB 0.623 69.703 68.868 0.353 0.000 0.951 509 T HN 0.375 nan 8.240 nan 0.000 0.460 510 F N 6.132 126.203 119.950 0.202 0.000 2.507 510 F HA 0.663 5.189 4.527 -0.001 0.000 0.328 510 F C -1.183 174.778 175.800 0.268 0.000 1.136 510 F CA -1.423 56.657 58.000 0.134 0.000 0.930 510 F CB 1.409 40.521 39.000 0.187 0.000 1.166 510 F HN 0.434 nan 8.300 nan 0.000 0.436 511 V N 8.517 128.262 119.914 -0.281 0.000 2.448 511 V HA 0.746 4.866 4.120 -0.001 0.000 0.295 511 V C -1.955 173.858 176.094 -0.470 0.000 1.025 511 V CA -0.606 61.522 62.300 -0.287 0.000 0.859 511 V CB 1.500 33.292 31.823 -0.052 0.000 0.988 511 V HN 0.801 nan 8.190 nan 0.000 0.431 512 L N 6.100 127.051 121.223 -0.454 0.000 2.365 512 L HA 0.569 4.909 4.340 -0.001 0.000 0.273 512 L C -0.336 176.418 176.870 -0.193 0.000 1.000 512 L CA -0.123 54.532 54.840 -0.308 0.000 0.819 512 L CB 1.947 43.853 42.059 -0.255 0.000 1.284 512 L HN 0.812 nan 8.230 nan 0.000 0.418 513 N N 3.151 121.772 118.700 -0.131 0.000 2.439 513 N HA 0.584 5.324 4.740 -0.001 0.000 0.249 513 N C -1.284 174.028 175.510 -0.331 0.000 1.003 513 N CA 0.069 53.016 53.050 -0.171 0.000 0.942 513 N CB 0.600 39.030 38.487 -0.096 0.000 1.115 513 N HN 0.792 nan 8.380 nan 0.000 0.505 514 S N 2.786 118.228 115.700 -0.430 0.000 2.578 514 S HA 0.378 4.848 4.470 -0.001 0.000 0.272 514 S C -2.839 171.401 174.600 -0.599 0.000 1.145 514 S CA -0.860 56.865 58.200 -0.790 0.000 0.835 514 S CB 2.181 64.532 63.200 -1.415 0.000 1.104 514 S HN 0.429 nan 8.310 nan 0.000 0.458 515 P HA 0.252 nan 4.420 nan 0.000 0.256 515 P C -0.579 176.671 177.300 -0.084 0.000 1.384 515 P CA 0.034 62.964 63.100 -0.285 0.000 0.879 515 P CB -0.263 31.322 31.700 -0.192 0.000 1.403 516 W N 0.969 122.208 121.300 -0.101 0.000 1.603 516 W HA 0.289 4.949 4.660 -0.001 0.000 0.392 516 W C 0.943 177.480 176.519 0.030 0.000 0.661 516 W CA -0.751 56.553 57.345 -0.069 0.000 2.021 516 W CB -1.160 28.232 29.460 -0.114 0.000 1.759 516 W HN -0.004 nan 8.180 nan 0.000 0.334 517 S N 0.840 116.670 115.700 0.217 0.000 2.368 517 S HA -0.126 4.344 4.470 -0.001 0.000 0.224 517 S C 1.385 176.183 174.600 0.329 0.000 1.029 517 S CA 1.174 59.507 58.200 0.222 0.000 0.988 517 S CB -0.139 63.139 63.200 0.131 0.000 0.838 517 S HN 0.414 nan 8.310 nan 0.000 0.462 518 S N 1.633 117.498 115.700 0.275 0.000 2.585 518 S HA 0.278 4.747 4.470 -0.001 0.000 0.273 518 S C 0.899 175.726 174.600 0.378 0.000 1.339 518 S CA -0.680 57.674 58.200 0.257 0.000 1.028 518 S CB 0.785 64.092 63.200 0.178 0.000 0.906 518 S HN 0.144 nan 8.310 nan 0.000 0.528 519 L N 1.739 123.155 121.223 0.321 0.000 2.093 519 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 519 L C 2.568 179.653 176.870 0.357 0.000 1.085 519 L CA 2.286 57.381 54.840 0.424 0.000 0.755 519 L CB -1.261 40.924 42.059 0.210 0.000 0.904 519 L HN 0.994 nan 8.230 nan 0.000 0.435 520 E N -1.570 118.769 120.200 0.232 0.000 2.051 520 E HA -0.249 4.100 4.350 -0.001 0.000 0.192 520 E C 1.526 178.228 176.600 0.169 0.000 0.991 520 E CA 1.548 58.051 56.400 0.173 0.000 0.799 520 E CB -0.670 29.102 29.700 0.121 0.000 0.748 520 E HN 0.494 nan 8.360 nan 0.000 0.449 521 D N 0.545 121.067 120.400 0.202 0.000 2.097 521 D HA -0.142 4.498 4.640 -0.001 0.000 0.197 521 D C 1.990 178.384 176.300 0.158 0.000 0.984 521 D CA 1.333 55.453 54.000 0.200 0.000 0.826 521 D CB -0.238 40.695 40.800 0.222 0.000 0.973 521 D HN 0.185 nan 8.370 nan 0.000 0.460 522 M N 1.470 121.226 119.600 0.259 0.000 2.080 522 M HA -0.169 4.310 4.480 -0.001 0.000 0.260 522 M C 1.106 177.468 176.300 0.104 0.000 1.068 522 M CA 1.618 57.065 55.300 0.245 0.000 1.109 522 M CB -0.410 32.463 32.600 0.456 0.000 1.342 522 M HN -0.220 nan 8.290 nan 0.000 0.405 523 D N -0.289 120.227 120.400 0.194 0.000 2.178 523 D HA -0.173 4.467 4.640 -0.001 0.000 0.201 523 D C 1.945 178.184 176.300 -0.101 0.000 0.980 523 D CA 1.154 55.184 54.000 0.051 0.000 0.842 523 D CB -0.350 40.552 40.800 0.171 0.000 0.948 523 D HN 0.500 nan 8.370 nan 0.000 0.472 524 K N -0.332 120.010 120.400 -0.096 0.000 2.062 524 K HA -0.123 4.197 4.320 -0.001 0.000 0.205 524 K C 1.430 177.746 176.600 -0.475 0.000 1.051 524 K CA 1.071 57.209 56.287 -0.248 0.000 0.941 524 K CB 0.084 32.442 32.500 -0.236 0.000 0.719 524 K HN 0.207 nan 8.250 nan 0.000 0.440 525 H N -0.670 118.051 119.070 -0.582 0.000 2.516 525 H HA 0.121 4.677 4.556 -0.001 0.000 0.284 525 H C -0.358 174.585 175.328 -0.643 0.000 0.999 525 H CA -0.146 55.396 56.048 -0.843 0.000 1.303 525 H CB 0.279 28.859 29.762 -1.971 0.000 1.452 525 H HN 0.009 nan 8.280 nan 0.000 0.530 526 L N 3.565 124.559 121.223 -0.381 0.000 2.369 526 L HA 0.247 4.586 4.340 -0.001 0.000 0.279 526 L C -2.355 174.326 176.870 -0.315 0.000 1.108 526 L CA -2.306 52.371 54.840 -0.271 0.000 0.852 526 L CB 0.431 42.330 42.059 -0.266 0.000 1.169 526 L HN -0.075 nan 8.230 nan 0.000 0.452 527 P HA 0.061 nan 4.420 nan 0.000 0.267 527 P C 0.556 177.680 177.300 -0.294 0.000 1.200 527 P CA 0.105 63.065 63.100 -0.234 0.000 0.772 527 P CB 0.611 32.207 31.700 -0.172 0.000 0.855 528 S N 1.726 117.271 115.700 -0.257 0.000 2.370 528 S HA -0.169 4.301 4.470 -0.001 0.000 0.226 528 S C 2.220 176.680 174.600 -0.234 0.000 1.033 528 S CA 1.507 59.549 58.200 -0.262 0.000 1.011 528 S CB -1.846 61.245 63.200 -0.181 0.000 0.852 528 S HN 0.558 nan 8.310 nan 0.000 0.457 529 G N 1.818 110.505 108.800 -0.188 0.000 2.469 529 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.220 529 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.220 529 G C 1.426 176.208 174.900 -0.197 0.000 1.136 529 G CA 1.143 46.145 45.100 -0.163 0.000 0.759 529 G HN 0.601 nan 8.290 nan 0.000 0.562 530 I N -0.028 120.393 120.570 -0.247 0.000 2.333 530 I HA -0.061 4.109 4.170 -0.001 0.000 0.246 530 I C 2.768 178.684 176.117 -0.334 0.000 1.106 530 I CA 0.849 61.973 61.300 -0.293 0.000 1.411 530 I CB -0.167 37.657 38.000 -0.295 0.000 1.082 530 I HN 0.110 nan 8.210 nan 0.000 0.420 531 K N 1.067 121.204 120.400 -0.439 0.000 2.020 531 K HA -0.117 4.202 4.320 -0.001 0.000 0.212 531 K C 1.065 177.574 176.600 -0.153 0.000 1.050 531 K CA 1.789 57.763 56.287 -0.522 0.000 0.929 531 K CB -0.157 31.815 32.500 -0.880 0.000 0.714 531 K HN 0.394 nan 8.250 nan 0.000 0.443 532 R N -1.417 118.998 120.500 -0.140 0.000 0.000 532 R HA 0.318 4.658 4.340 -0.001 0.000 0.000 532 R C 0.090 nan 176.300 nan 0.000 0.000 532 R CA 0.014 56.083 56.100 -0.051 0.000 0.000 532 R CB 0.420 nan 30.300 nan 0.000 0.000 532 R HN 0.035 nan 8.270 nan 0.000 0.000 533 T N -1.188 113.302 114.554 -0.108 0.000 0.000 533 T HA 0.141 4.491 4.350 -0.001 0.000 0.000 533 T C 1.729 176.372 174.700 -0.096 0.000 0.000 533 T CA 0.703 62.740 62.100 -0.106 0.000 0.000 533 T CB -0.574 68.198 68.868 -0.160 0.000 0.000 533 T HN 0.500 nan 8.240 nan 0.000 0.000 534 I N 2.287 122.769 120.570 -0.147 0.000 2.179 534 I HA -0.133 4.036 4.170 -0.001 0.000 0.242 534 I C 2.879 178.918 176.117 -0.130 0.000 1.088 534 I CA 1.780 62.980 61.300 -0.167 0.000 1.357 534 I CB -0.307 37.508 38.000 -0.309 0.000 1.051 534 I HN 0.371 nan 8.210 nan 0.000 0.409 535 A N 0.942 123.716 122.820 -0.076 0.000 1.855 535 A HA -0.207 4.112 4.320 -0.001 0.000 0.215 535 A C 2.051 179.708 177.584 0.121 0.000 1.191 535 A CA 2.025 54.118 52.037 0.094 0.000 0.613 535 A CB -1.053 18.063 19.000 0.195 0.000 0.829 535 A HN 0.472 nan 8.150 nan 0.000 0.442 536 N N -0.271 118.469 118.700 0.066 0.000 2.069 536 N HA -0.141 4.598 4.740 -0.001 0.000 0.191 536 N C 1.238 176.782 175.510 0.056 0.000 1.031 536 N CA 1.360 54.443 53.050 0.055 0.000 0.852 536 N CB -0.159 38.342 38.487 0.024 0.000 1.018 536 N HN 0.420 nan 8.380 nan 0.000 0.423 537 K N 0.947 121.375 120.400 0.046 0.000 2.505 537 K HA 0.070 4.390 4.320 -0.001 0.000 0.192 537 K C -0.331 176.327 176.600 0.096 0.000 1.025 537 K CA 0.104 56.423 56.287 0.055 0.000 1.086 537 K CB 0.376 32.895 32.500 0.031 0.000 0.840 537 K HN -0.053 nan 8.250 nan 0.000 0.514 538 K N 1.161 121.642 120.400 0.135 0.000 3.278 538 K HA -0.175 4.145 4.320 -0.001 0.000 0.270 538 K C -0.651 176.080 176.600 0.218 0.000 0.955 538 K CA 0.469 56.874 56.287 0.196 0.000 0.723 538 K CB -1.816 30.766 32.500 0.137 0.000 1.382 538 K HN 0.228 nan 8.250 nan 0.000 0.461 539 L N 0.503 121.870 121.223 0.240 0.000 2.417 539 L HA 0.158 4.497 4.340 -0.001 0.000 0.268 539 L C 0.888 177.992 176.870 0.390 0.000 1.158 539 L CA -0.380 54.620 54.840 0.268 0.000 0.819 539 L CB 0.658 42.849 42.059 0.221 0.000 1.112 539 L HN 0.123 nan 8.230 nan 0.000 0.458 540 K N 3.074 123.704 120.400 0.383 0.000 2.183 540 K HA 0.187 4.506 4.320 -0.001 0.000 0.272 540 K C -0.725 176.211 176.600 0.560 0.000 1.113 540 K CA -0.262 56.272 56.287 0.411 0.000 0.949 540 K CB 0.119 32.896 32.500 0.462 0.000 1.365 540 K HN 0.213 nan 8.250 nan 0.000 0.420 541 F N 3.342 123.490 119.950 0.330 0.000 2.438 541 F HA 0.215 4.741 4.527 -0.001 0.000 0.356 541 F C -0.877 175.006 175.800 0.138 0.000 1.099 541 F CA -0.911 57.283 58.000 0.325 0.000 1.185 541 F CB 0.263 39.500 39.000 0.396 0.000 1.115 541 F HN 0.295 nan 8.300 nan 0.000 0.526 542 Y N 4.390 124.502 120.300 -0.313 0.000 2.361 542 Y HA 0.292 4.841 4.550 -0.001 0.000 0.337 542 Y C -0.323 175.170 175.900 -0.678 0.000 0.965 542 Y CA -1.096 56.773 58.100 -0.385 0.000 1.091 542 Y CB 1.582 39.971 38.460 -0.117 0.000 1.182 542 Y HN 0.589 nan 8.280 nan 0.000 0.450 543 N N 3.603 122.014 118.700 -0.482 0.000 2.392 543 N HA 0.596 5.335 4.740 -0.001 0.000 0.283 543 N C -1.751 173.664 175.510 -0.158 0.000 1.003 543 N CA -0.448 52.349 53.050 -0.421 0.000 0.892 543 N CB 1.025 39.212 38.487 -0.499 0.000 1.193 543 N HN 0.729 nan 8.380 nan 0.000 0.487 544 I N 1.963 122.451 120.570 -0.136 0.000 2.499 544 I HA 0.271 4.441 4.170 -0.001 0.000 0.288 544 I C -1.041 175.013 176.117 -0.105 0.000 1.048 544 I CA -0.732 60.523 61.300 -0.075 0.000 1.062 544 I CB 1.437 39.418 38.000 -0.033 0.000 1.238 544 I HN 0.528 nan 8.210 nan 0.000 0.426 545 D N 6.838 127.187 120.400 -0.085 0.000 2.551 545 D HA 0.231 4.870 4.640 -0.001 0.000 0.223 545 D C 1.014 177.265 176.300 -0.082 0.000 1.144 545 D CA 0.277 54.215 54.000 -0.105 0.000 1.025 545 D CB 1.211 41.966 40.800 -0.075 0.000 1.085 545 D HN 0.694 nan 8.370 nan 0.000 0.506 546 A N 2.734 125.498 122.820 -0.093 0.000 1.908 546 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 546 A C 2.321 179.866 177.584 -0.064 0.000 1.181 546 A CA 1.229 53.222 52.037 -0.073 0.000 0.627 546 A CB -0.426 18.521 19.000 -0.088 0.000 0.818 546 A HN 0.445 nan 8.150 nan 0.000 0.445 547 V N 0.400 120.268 119.914 -0.077 0.000 2.332 547 V HA -0.298 3.821 4.120 -0.001 0.000 0.248 547 V C 2.548 178.614 176.094 -0.047 0.000 1.055 547 V CA 2.465 64.728 62.300 -0.062 0.000 1.038 547 V CB -0.702 31.078 31.823 -0.072 0.000 0.651 547 V HN 0.728 nan 8.190 nan 0.000 0.450 548 K N 0.226 120.597 120.400 -0.049 0.000 2.001 548 K HA -0.143 4.177 4.320 -0.001 0.000 0.208 548 K C 2.166 178.750 176.600 -0.026 0.000 1.048 548 K CA 1.821 58.088 56.287 -0.033 0.000 0.932 548 K CB -0.260 32.222 32.500 -0.030 0.000 0.715 548 K HN 0.404 nan 8.250 nan 0.000 0.437 549 I N 1.398 121.952 120.570 -0.027 0.000 2.163 549 I HA -0.294 3.876 4.170 -0.001 0.000 0.243 549 I C 2.619 178.722 176.117 -0.023 0.000 1.085 549 I CA 1.315 62.603 61.300 -0.020 0.000 1.347 549 I CB -0.523 37.467 38.000 -0.016 0.000 1.044 549 I HN 0.312 nan 8.210 nan 0.000 0.408 550 A N 0.555 123.358 122.820 -0.028 0.000 1.883 550 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 550 A C 2.396 179.963 177.584 -0.028 0.000 1.186 550 A CA 2.702 54.722 52.037 -0.029 0.000 0.624 550 A CB -1.219 17.762 19.000 -0.030 0.000 0.822 550 A HN 0.412 nan 8.150 nan 0.000 0.444 551 T N 0.146 114.684 114.554 -0.026 0.000 2.746 551 T HA -0.128 4.222 4.350 -0.001 0.000 0.267 551 T C 1.537 176.224 174.700 -0.021 0.000 1.039 551 T CA 1.461 63.547 62.100 -0.022 0.000 1.142 551 T CB -0.424 68.432 68.868 -0.020 0.000 0.866 551 T HN 0.479 nan 8.240 nan 0.000 0.444 552 D N 1.247 121.635 120.400 -0.020 0.000 2.084 552 D HA -0.092 4.547 4.640 -0.001 0.000 0.194 552 D C 2.356 178.643 176.300 -0.021 0.000 0.990 552 D CA 1.464 55.454 54.000 -0.017 0.000 0.826 552 D CB -0.546 40.246 40.800 -0.013 0.000 0.971 552 D HN 0.433 nan 8.370 nan 0.000 0.453 553 V N -2.288 117.611 119.914 -0.025 0.000 3.305 553 V HA 0.232 4.352 4.120 -0.001 0.000 0.269 553 V C 1.527 177.597 176.094 -0.040 0.000 1.157 553 V CA 1.181 63.462 62.300 -0.032 0.000 1.157 553 V CB -0.433 31.368 31.823 -0.037 0.000 0.772 553 V HN 0.309 nan 8.190 nan 0.000 0.498 554 G N 0.360 109.139 108.800 -0.035 0.000 2.141 554 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.231 554 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.231 554 G C 0.326 175.201 174.900 -0.042 0.000 0.984 554 G CA 0.253 45.331 45.100 -0.037 0.000 0.660 554 G HN 0.536 nan 8.290 nan 0.000 0.525 555 L N 0.808 122.005 121.223 -0.044 0.000 2.645 555 L HA 0.354 4.693 4.340 -0.001 0.000 0.235 555 L C 2.052 178.904 176.870 -0.029 0.000 1.150 555 L CA 0.634 55.447 54.840 -0.045 0.000 0.911 555 L CB -0.342 41.688 42.059 -0.048 0.000 1.077 555 L HN 0.905 nan 8.230 nan 0.000 0.438 556 G N 0.275 109.060 108.800 -0.025 0.000 2.305 556 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.287 556 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.287 556 G C 1.019 175.909 174.900 -0.017 0.000 1.036 556 G CA 0.409 45.498 45.100 -0.018 0.000 0.887 556 G HN 0.680 nan 8.290 nan 0.000 0.505 557 G N -1.203 107.584 108.800 -0.021 0.000 2.184 557 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.264 557 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.264 557 G C 0.555 175.442 174.900 -0.022 0.000 0.975 557 G CA 1.190 46.276 45.100 -0.023 0.000 0.642 557 G HN 1.376 nan 8.290 nan 0.000 0.536 558 R N 1.039 121.530 120.500 -0.016 0.000 2.421 558 R HA 0.431 4.770 4.340 -0.001 0.000 0.305 558 R C 2.037 178.328 176.300 -0.015 0.000 1.039 558 R CA 0.395 56.490 56.100 -0.008 0.000 1.003 558 R CB -0.010 30.291 30.300 0.002 0.000 0.959 558 R HN 0.616 nan 8.270 nan 0.000 0.427 559 I N 1.661 122.219 120.570 -0.019 0.000 3.603 559 I HA 0.017 4.187 4.170 -0.001 0.000 0.297 559 I C 1.046 177.138 176.117 -0.041 0.000 1.269 559 I CA 0.214 61.490 61.300 -0.040 0.000 1.361 559 I CB -0.206 37.755 38.000 -0.066 0.000 1.063 559 I HN 0.645 nan 8.210 nan 0.000 0.448 560 N N 2.229 120.924 118.700 -0.008 0.000 2.037 560 N HA -0.333 4.407 4.740 -0.001 0.000 0.196 560 N C 1.769 177.299 175.510 0.034 0.000 1.034 560 N CA 2.265 55.322 53.050 0.012 0.000 0.861 560 N CB -0.655 37.858 38.487 0.044 0.000 1.039 560 N HN 0.315 nan 8.380 nan 0.000 0.427 561 M N 0.120 119.748 119.600 0.047 0.000 2.213 561 M HA 0.109 4.588 4.480 -0.001 0.000 0.263 561 M C 1.660 177.998 176.300 0.062 0.000 1.062 561 M CA 1.300 56.640 55.300 0.067 0.000 1.105 561 M CB -0.317 32.309 32.600 0.043 0.000 1.385 561 M HN 0.367 nan 8.290 nan 0.000 0.417 562 I N -1.048 119.537 120.570 0.025 0.000 2.286 562 I HA -0.265 3.905 4.170 -0.001 0.000 0.245 562 I C 1.849 177.988 176.117 0.037 0.000 1.104 562 I CA 0.834 62.147 61.300 0.023 0.000 1.397 562 I CB -0.447 37.546 38.000 -0.011 0.000 1.072 562 I HN 0.249 nan 8.210 nan 0.000 0.417 563 M N -0.031 119.556 119.600 -0.021 0.000 2.394 563 M HA -0.147 4.332 4.480 -0.001 0.000 0.264 563 M C 2.196 178.602 176.300 0.176 0.000 1.073 563 M CA 1.399 56.681 55.300 -0.029 0.000 1.111 563 M CB -1.185 31.133 32.600 -0.471 0.000 1.401 563 M HN 0.217 nan 8.290 nan 0.000 0.448 564 Q N 0.512 120.422 119.800 0.183 0.000 2.046 564 Q HA -0.082 4.257 4.340 -0.001 0.000 0.200 564 Q C 1.793 178.063 176.000 0.450 0.000 0.975 564 Q CA 2.318 58.314 55.803 0.322 0.000 0.836 564 Q CB -0.377 28.532 28.738 0.285 0.000 0.896 564 Q HN 0.447 nan 8.270 nan 0.000 0.428 565 T N 0.551 115.289 114.554 0.306 0.000 2.720 565 T HA -0.166 4.183 4.350 -0.001 0.000 0.268 565 T C 1.752 176.601 174.700 0.249 0.000 1.037 565 T CA 1.416 63.681 62.100 0.275 0.000 1.144 565 T CB -0.685 68.277 68.868 0.158 0.000 0.864 565 T HN 0.480 nan 8.240 nan 0.000 0.444 566 A N 1.216 124.163 122.820 0.211 0.000 1.908 566 A HA -0.085 4.235 4.320 -0.001 0.000 0.218 566 A C 2.009 179.688 177.584 0.158 0.000 1.181 566 A CA 1.612 53.748 52.037 0.167 0.000 0.627 566 A CB -0.981 18.140 19.000 0.201 0.000 0.818 566 A HN 0.496 nan 8.150 nan 0.000 0.445 567 F N -0.337 119.673 119.950 0.099 0.000 2.075 567 F HA -0.132 4.395 4.527 -0.001 0.000 0.297 567 F C 1.867 177.501 175.800 -0.275 0.000 1.113 567 F CA 1.624 59.524 58.000 -0.168 0.000 1.218 567 F CB -0.634 38.350 39.000 -0.026 0.000 0.984 567 F HN 0.190 nan 8.300 nan 0.000 0.472 568 F N 0.878 120.685 119.950 -0.239 0.000 2.269 568 F HA -0.127 4.400 4.527 -0.001 0.000 0.301 568 F C 2.529 178.180 175.800 -0.248 0.000 1.082 568 F CA 1.854 59.657 58.000 -0.327 0.000 1.360 568 F CB -0.608 38.357 39.000 -0.058 0.000 1.041 568 F HN 0.016 nan 8.300 nan 0.000 0.512 569 K N -0.500 119.904 120.400 0.007 0.000 2.211 569 K HA -0.017 4.303 4.320 -0.001 0.000 0.201 569 K C 1.364 177.867 176.600 -0.163 0.000 1.052 569 K CA 0.787 57.062 56.287 -0.021 0.000 0.973 569 K CB 0.136 32.643 32.500 0.012 0.000 0.766 569 K HN 0.167 nan 8.250 nan 0.000 0.466 570 L N -0.063 121.013 121.223 -0.245 0.000 2.609 570 L HA 0.292 4.631 4.340 -0.001 0.000 0.230 570 L C 1.917 178.608 176.870 -0.299 0.000 1.087 570 L CA 0.638 55.324 54.840 -0.257 0.000 0.874 570 L CB 0.160 42.052 42.059 -0.278 0.000 1.114 570 L HN 0.070 nan 8.230 nan 0.000 0.488 571 A N 0.007 122.448 122.820 -0.631 0.000 2.019 571 A HA 0.160 4.479 4.320 -0.001 0.000 0.219 571 A C 1.943 179.324 177.584 -0.339 0.000 1.164 571 A CA 1.374 52.988 52.037 -0.705 0.000 0.644 571 A CB -0.824 17.430 19.000 -1.242 0.000 0.805 571 A HN 0.563 nan 8.150 nan 0.000 0.449 572 G N -2.165 106.454 108.800 -0.303 0.000 2.148 572 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.254 572 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.254 572 G C 1.000 175.804 174.900 -0.161 0.000 0.981 572 G CA 0.992 45.996 45.100 -0.160 0.000 0.670 572 G HN 1.258 nan 8.290 nan 0.000 0.528 573 V N -0.668 119.072 119.914 -0.291 0.000 2.591 573 V HA 0.505 4.624 4.120 -0.001 0.000 0.249 573 V C 1.212 177.194 176.094 -0.186 0.000 1.053 573 V CA 2.089 64.230 62.300 -0.266 0.000 1.068 573 V CB -0.072 31.428 31.823 -0.539 0.000 0.689 573 V HN 0.414 nan 8.190 nan 0.000 0.462 574 L N 0.528 121.646 121.223 -0.175 0.000 2.359 574 L HA 0.540 4.880 4.340 -0.001 0.000 0.256 574 L C -2.499 174.358 176.870 -0.022 0.000 1.026 574 L CA -1.934 52.864 54.840 -0.070 0.000 0.828 574 L CB 2.258 44.301 42.059 -0.027 0.000 1.406 574 L HN 0.003 nan 8.230 nan 0.000 0.413 575 P HA 0.101 nan 4.420 nan 0.000 0.278 575 P C 0.665 178.039 177.300 0.122 0.000 1.238 575 P CA -0.295 62.840 63.100 0.057 0.000 0.794 575 P CB 1.081 32.805 31.700 0.039 0.000 0.955 576 F N 2.227 122.159 119.950 -0.029 0.000 2.070 576 F HA -0.353 4.174 4.527 -0.001 0.000 0.298 576 F C 2.265 178.049 175.800 -0.027 0.000 1.189 576 F CA 1.875 59.860 58.000 -0.024 0.000 1.223 576 F CB -0.232 38.758 39.000 -0.016 0.000 0.939 576 F HN 0.420 nan 8.300 nan 0.000 0.531 577 E N 0.072 120.111 120.200 -0.268 0.000 2.108 577 E HA -0.366 3.983 4.350 -0.001 0.000 0.203 577 E C 2.102 178.567 176.600 -0.226 0.000 1.022 577 E CA 2.000 58.167 56.400 -0.388 0.000 0.823 577 E CB -0.378 29.189 29.700 -0.220 0.000 0.744 577 E HN 0.448 nan 8.360 nan 0.000 0.456 578 K N 0.621 120.955 120.400 -0.110 0.000 2.002 578 K HA -0.178 4.141 4.320 -0.001 0.000 0.209 578 K C 2.232 178.777 176.600 -0.092 0.000 1.048 578 K CA 1.326 57.564 56.287 -0.081 0.000 0.930 578 K CB -0.175 32.304 32.500 -0.036 0.000 0.714 578 K HN 0.108 nan 8.250 nan 0.000 0.438 579 A N 0.745 123.538 122.820 -0.045 0.000 1.908 579 A HA -0.133 4.187 4.320 -0.001 0.000 0.218 579 A C 2.275 179.740 177.584 -0.199 0.000 1.181 579 A CA 1.849 53.864 52.037 -0.038 0.000 0.627 579 A CB -0.765 18.322 19.000 0.145 0.000 0.818 579 A HN 0.202 nan 8.150 nan 0.000 0.445 580 V N 2.065 121.872 119.914 -0.178 0.000 2.233 580 V HA -0.300 3.820 4.120 -0.001 0.000 0.247 580 V C 2.552 178.518 176.094 -0.213 0.000 1.050 580 V CA 2.359 64.530 62.300 -0.215 0.000 1.010 580 V CB -1.000 30.626 31.823 -0.327 0.000 0.637 580 V HN 0.888 nan 8.190 nan 0.000 0.444 581 D N 0.116 120.394 120.400 -0.204 0.000 2.117 581 D HA -0.213 4.427 4.640 -0.001 0.000 0.197 581 D C 2.054 178.257 176.300 -0.162 0.000 0.987 581 D CA 1.340 55.239 54.000 -0.168 0.000 0.829 581 D CB -0.407 40.301 40.800 -0.153 0.000 0.961 581 D HN 0.337 nan 8.370 nan 0.000 0.460 582 L N 0.731 121.847 121.223 -0.179 0.000 2.042 582 L HA -0.092 4.247 4.340 -0.001 0.000 0.210 582 L C 2.758 179.488 176.870 -0.234 0.000 1.076 582 L CA 1.096 55.829 54.840 -0.179 0.000 0.749 582 L CB -0.967 40.988 42.059 -0.173 0.000 0.893 582 L HN 0.140 nan 8.230 nan 0.000 0.432 583 L N -0.925 120.080 121.223 -0.363 0.000 2.027 583 L HA -0.245 4.094 4.340 -0.001 0.000 0.206 583 L C 2.554 179.343 176.870 -0.136 0.000 1.074 583 L CA 1.430 56.043 54.840 -0.377 0.000 0.745 583 L CB -0.197 41.565 42.059 -0.496 0.000 0.898 583 L HN 0.245 nan 8.230 nan 0.000 0.433 584 K N -0.480 119.865 120.400 -0.092 0.000 2.057 584 K HA -0.159 4.160 4.320 -0.001 0.000 0.207 584 K C 2.099 178.771 176.600 0.121 0.000 1.049 584 K CA 0.984 57.293 56.287 0.035 0.000 0.931 584 K CB -0.037 32.466 32.500 0.006 0.000 0.714 584 K HN 0.189 nan 8.250 nan 0.000 0.440 585 K N 0.845 121.235 120.400 -0.018 0.000 2.032 585 K HA -0.126 4.194 4.320 -0.001 0.000 0.209 585 K C 2.354 178.986 176.600 0.053 0.000 1.048 585 K CA 1.896 58.169 56.287 -0.024 0.000 0.927 585 K CB -0.538 31.918 32.500 -0.074 0.000 0.712 585 K HN 0.233 nan 8.250 nan 0.000 0.441 586 S N 1.064 116.775 115.700 0.018 0.000 2.382 586 S HA -0.093 4.376 4.470 -0.001 0.000 0.228 586 S C 2.206 176.858 174.600 0.086 0.000 1.027 586 S CA 0.904 59.121 58.200 0.029 0.000 0.991 586 S CB -0.575 62.623 63.200 -0.003 0.000 0.823 586 S HN 0.217 nan 8.310 nan 0.000 0.469 587 I N 1.253 121.906 120.570 0.137 0.000 2.252 587 I HA -0.164 4.005 4.170 -0.001 0.000 0.245 587 I C 2.588 178.825 176.117 0.201 0.000 1.102 587 I CA 1.675 63.106 61.300 0.218 0.000 1.385 587 I CB -0.514 37.565 38.000 0.132 0.000 1.064 587 I HN 0.327 nan 8.210 nan 0.000 0.414 588 H N 0.415 119.528 119.070 0.071 0.000 2.423 588 H HA -0.117 4.438 4.556 -0.001 0.000 0.297 588 H C 2.157 177.511 175.328 0.043 0.000 1.075 588 H CA 1.179 57.258 56.048 0.051 0.000 1.342 588 H CB -0.058 29.710 29.762 0.009 0.000 1.395 588 H HN 0.200 nan 8.280 nan 0.000 0.530 589 K N 0.741 121.226 120.400 0.141 0.000 1.969 589 K HA -0.075 4.245 4.320 -0.001 0.000 0.216 589 K C 1.383 177.995 176.600 0.019 0.000 1.048 589 K CA 1.031 57.352 56.287 0.058 0.000 0.948 589 K CB -0.187 32.328 32.500 0.024 0.000 0.726 589 K HN 0.237 nan 8.250 nan 0.000 0.442 590 A N -0.344 122.459 122.820 -0.028 0.000 2.311 590 A HA 0.220 4.540 4.320 -0.001 0.000 0.272 590 A C 0.105 177.646 177.584 -0.071 0.000 1.438 590 A CA 0.385 52.327 52.037 -0.159 0.000 0.819 590 A CB -0.516 18.246 19.000 -0.396 0.000 1.336 590 A HN 0.512 nan 8.150 nan 0.000 0.528 591 Y N -2.100 118.181 120.300 -0.031 0.000 2.815 591 Y HA -0.323 4.226 4.550 -0.001 0.000 0.471 591 Y C 2.005 177.879 175.900 -0.042 0.000 1.140 591 Y CA 1.867 59.941 58.100 -0.043 0.000 2.728 591 Y CB -1.857 36.564 38.460 -0.064 0.000 1.169 591 Y HN 2.096 nan 8.280 nan 0.000 0.620 592 G N 0.650 109.544 108.800 0.157 0.000 2.269 592 G HA2 -0.412 3.548 3.960 -0.001 0.000 0.277 592 G HA3 -0.412 3.548 3.960 -0.001 0.000 0.277 592 G C 0.872 175.796 174.900 0.040 0.000 1.008 592 G CA 1.683 46.818 45.100 0.058 0.000 0.774 592 G HN 0.932 nan 8.290 nan 0.000 0.511 593 K N -1.111 119.323 120.400 0.056 0.000 2.102 593 K HA 0.245 4.564 4.320 -0.001 0.000 0.206 593 K C 1.377 177.987 176.600 0.017 0.000 1.031 593 K CA 0.374 56.680 56.287 0.031 0.000 0.962 593 K CB -0.019 32.505 32.500 0.039 0.000 0.811 593 K HN 0.024 nan 8.250 nan 0.000 0.453 594 K N 2.306 122.716 120.400 0.017 0.000 3.165 594 K HA 0.147 4.467 4.320 -0.001 0.000 0.270 594 K C 0.201 176.792 176.600 -0.016 0.000 1.111 594 K CA 0.645 56.930 56.287 -0.003 0.000 1.216 594 K CB -0.271 32.223 32.500 -0.010 0.000 1.229 594 K HN 0.629 nan 8.250 nan 0.000 0.435 595 G N 1.545 110.339 108.800 -0.010 0.000 2.740 595 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.250 595 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.250 595 G C 0.444 175.322 174.900 -0.037 0.000 1.358 595 G CA -0.372 44.718 45.100 -0.017 0.000 0.897 595 G HN 0.393 nan 8.290 nan 0.000 0.567 596 E N -0.078 120.097 120.200 -0.041 0.000 2.510 596 E HA -0.070 4.279 4.350 -0.001 0.000 0.202 596 E C 2.183 178.733 176.600 -0.082 0.000 1.072 596 E CA 1.063 57.422 56.400 -0.069 0.000 0.883 596 E CB -0.062 29.612 29.700 -0.043 0.000 0.818 596 E HN 0.465 nan 8.360 nan 0.000 0.548 597 K N 1.090 121.451 120.400 -0.065 0.000 2.002 597 K HA -0.053 4.266 4.320 -0.001 0.000 0.209 597 K C 1.872 178.412 176.600 -0.099 0.000 1.048 597 K CA 1.070 57.316 56.287 -0.067 0.000 0.930 597 K CB -0.206 32.265 32.500 -0.048 0.000 0.714 597 K HN 0.125 nan 8.250 nan 0.000 0.438 598 I N -0.244 120.254 120.570 -0.120 0.000 2.584 598 I HA -0.158 4.011 4.170 -0.001 0.000 0.255 598 I C 1.828 177.766 176.117 -0.299 0.000 1.145 598 I CA 0.334 61.520 61.300 -0.191 0.000 1.462 598 I CB 0.030 37.924 38.000 -0.176 0.000 1.102 598 I HN -0.083 nan 8.210 nan 0.000 0.433 599 V N 1.243 121.000 119.914 -0.262 0.000 2.295 599 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 599 V C 2.553 178.480 176.094 -0.279 0.000 1.049 599 V CA 1.939 64.042 62.300 -0.328 0.000 1.024 599 V CB -0.697 30.925 31.823 -0.335 0.000 0.648 599 V HN 0.335 nan 8.190 nan 0.000 0.447 600 K N -0.010 120.275 120.400 -0.191 0.000 2.032 600 K HA -0.028 4.292 4.320 -0.001 0.000 0.209 600 K C 0.527 177.053 176.600 -0.122 0.000 1.048 600 K CA 2.447 58.658 56.287 -0.127 0.000 0.927 600 K CB -0.087 32.363 32.500 -0.085 0.000 0.712 600 K HN 0.492 nan 8.250 nan 0.000 0.441 601 M N -2.949 116.567 119.600 -0.140 0.000 0.000 601 M HA 0.405 4.884 4.480 -0.001 0.000 0.000 601 M C -0.721 nan 176.300 nan 0.000 0.000 601 M CA 0.094 55.318 55.300 -0.126 0.000 0.000 601 M CB 0.555 nan 32.600 nan 0.000 0.000 601 M HN 0.152 nan 8.290 nan 0.000 0.000 602 N N -2.796 115.777 118.700 -0.212 0.000 0.000 602 N HA -0.026 4.714 4.740 -0.001 0.000 0.000 602 N C 1.081 176.526 175.510 -0.109 0.000 0.000 602 N CA 0.802 53.734 53.050 -0.197 0.000 0.000 602 N CB 0.544 38.821 38.487 -0.349 0.000 0.000 602 N HN 0.765 nan 8.380 nan 0.000 0.000 603 T N 1.102 115.591 114.554 -0.107 0.000 2.788 603 T HA -0.098 4.251 4.350 -0.001 0.000 0.268 603 T C 0.795 175.478 174.700 -0.027 0.000 1.044 603 T CA 1.539 63.614 62.100 -0.042 0.000 1.139 603 T CB -0.289 68.570 68.868 -0.016 0.000 0.867 603 T HN 0.189 nan 8.240 nan 0.000 0.454 604 D N 1.389 121.764 120.400 -0.041 0.000 2.117 604 D HA 0.018 4.658 4.640 -0.001 0.000 0.197 604 D C 2.346 178.636 176.300 -0.017 0.000 0.987 604 D CA 1.144 55.128 54.000 -0.026 0.000 0.829 604 D CB -0.532 40.248 40.800 -0.035 0.000 0.961 604 D HN 0.398 nan 8.370 nan 0.000 0.460 605 A N 0.562 123.365 122.820 -0.028 0.000 1.940 605 A HA -0.153 4.166 4.320 -0.001 0.000 0.219 605 A C 2.483 180.072 177.584 0.008 0.000 1.176 605 A CA 1.338 53.366 52.037 -0.015 0.000 0.631 605 A CB -0.735 18.249 19.000 -0.026 0.000 0.814 605 A HN 0.155 nan 8.150 nan 0.000 0.446 606 V N 0.563 120.484 119.914 0.011 0.000 2.295 606 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 606 V C 2.206 178.327 176.094 0.044 0.000 1.049 606 V CA 2.276 64.596 62.300 0.033 0.000 1.024 606 V CB -0.865 30.971 31.823 0.020 0.000 0.648 606 V HN 0.481 nan 8.190 nan 0.000 0.447 607 D N -0.372 120.046 120.400 0.030 0.000 2.097 607 D HA -0.216 4.423 4.640 -0.001 0.000 0.195 607 D C 2.202 178.528 176.300 0.043 0.000 0.989 607 D CA 1.581 55.604 54.000 0.039 0.000 0.827 607 D CB -0.284 40.528 40.800 0.021 0.000 0.966 607 D HN 0.519 nan 8.370 nan 0.000 0.456 608 Q N -0.143 119.673 119.800 0.027 0.000 2.291 608 Q HA -0.049 4.291 4.340 -0.001 0.000 0.205 608 Q C 1.792 177.811 176.000 0.031 0.000 0.970 608 Q CA 1.141 56.958 55.803 0.023 0.000 0.876 608 Q CB 0.084 28.827 28.738 0.009 0.000 0.935 608 Q HN 0.218 nan 8.270 nan 0.000 0.455 609 A N -0.535 122.309 122.820 0.039 0.000 1.898 609 A HA -0.049 4.271 4.320 -0.001 0.000 0.214 609 A C 2.101 179.723 177.584 0.063 0.000 1.183 609 A CA 0.939 53.004 52.037 0.047 0.000 0.622 609 A CB -0.452 18.580 19.000 0.053 0.000 0.824 609 A HN 0.260 nan 8.150 nan 0.000 0.444 610 V N 0.186 120.151 119.914 0.085 0.000 2.392 610 V HA -0.226 3.893 4.120 -0.001 0.000 0.249 610 V C 2.670 178.809 176.094 0.074 0.000 1.059 610 V CA 2.487 64.852 62.300 0.108 0.000 1.051 610 V CB -1.160 30.783 31.823 0.200 0.000 0.658 610 V HN 0.607 nan 8.190 nan 0.000 0.455 611 T N -0.675 113.919 114.554 0.066 0.000 2.851 611 T HA -0.095 4.254 4.350 -0.001 0.000 0.262 611 T C 1.963 176.687 174.700 0.040 0.000 1.043 611 T CA 1.550 63.679 62.100 0.048 0.000 1.140 611 T CB -0.175 68.718 68.868 0.042 0.000 0.872 611 T HN 0.484 nan 8.240 nan 0.000 0.446 612 S N 1.087 116.811 115.700 0.040 0.000 2.555 612 S HA 0.129 4.598 4.470 -0.001 0.000 0.230 612 S C 0.597 175.232 174.600 0.058 0.000 0.978 612 S CA 0.037 58.260 58.200 0.038 0.000 0.934 612 S CB -0.230 62.987 63.200 0.027 0.000 0.766 612 S HN 0.146 nan 8.310 nan 0.000 0.533 613 L N 3.561 124.829 121.223 0.076 0.000 2.387 613 L HA 0.297 4.636 4.340 -0.001 0.000 0.267 613 L C -0.336 176.662 176.870 0.213 0.000 1.197 613 L CA 0.336 55.259 54.840 0.138 0.000 1.070 613 L CB -0.410 41.701 42.059 0.087 0.000 1.349 613 L HN 0.057 nan 8.230 nan 0.000 0.422 614 Q N 1.939 121.840 119.800 0.168 0.000 2.387 614 Q HA 0.381 4.720 4.340 -0.001 0.000 0.273 614 Q C -0.424 175.483 176.000 -0.156 0.000 1.089 614 Q CA -0.715 55.125 55.803 0.061 0.000 0.824 614 Q CB 1.806 30.541 28.738 -0.006 0.000 1.367 614 Q HN 0.425 nan 8.270 nan 0.000 0.443 615 E N 0.915 120.872 120.200 -0.404 0.000 2.413 615 E HA 0.007 4.356 4.350 -0.001 0.000 0.263 615 E C -0.730 175.704 176.600 -0.278 0.000 1.015 615 E CA 0.175 56.187 56.400 -0.648 0.000 0.916 615 E CB 0.454 29.863 29.700 -0.484 0.000 0.947 615 E HN 0.291 nan 8.360 nan 0.000 0.440 616 F N 3.746 123.493 119.950 -0.339 0.000 2.421 616 F HA 0.083 4.610 4.527 -0.001 0.000 0.358 616 F C 0.207 175.955 175.800 -0.086 0.000 1.115 616 F CA -0.737 57.173 58.000 -0.150 0.000 1.160 616 F CB 0.447 39.364 39.000 -0.137 0.000 1.123 616 F HN 0.058 nan 8.300 nan 0.000 0.508 617 K N 8.172 128.211 120.400 -0.602 0.000 2.237 617 K HA 0.022 4.342 4.320 -0.001 0.000 0.283 617 K C -1.022 175.188 176.600 -0.649 0.000 1.080 617 K CA 0.055 55.998 56.287 -0.573 0.000 0.965 617 K CB -0.484 31.743 32.500 -0.455 0.000 1.098 617 K HN 0.609 nan 8.250 nan 0.000 0.434 618 Y N 1.326 121.353 120.300 -0.455 0.000 2.387 618 Y HA 0.571 5.121 4.550 -0.001 0.000 0.336 618 Y C -2.149 173.378 175.900 -0.622 0.000 1.067 618 Y CA -3.422 54.236 58.100 -0.736 0.000 1.114 618 Y CB -0.013 37.751 38.460 -1.159 0.000 1.208 618 Y HN 0.348 nan 8.280 nan 0.000 0.458 619 P HA 0.043 nan 4.420 nan 0.000 0.272 619 P C -0.402 176.854 177.300 -0.075 0.000 1.230 619 P CA -0.051 62.913 63.100 -0.228 0.000 0.788 619 P CB 1.460 33.088 31.700 -0.119 0.000 0.949 620 D N 0.065 120.470 120.400 0.008 0.000 2.317 620 D HA -0.126 4.513 4.640 -0.001 0.000 0.211 620 D C 1.754 178.141 176.300 0.145 0.000 0.966 620 D CA 1.121 55.175 54.000 0.091 0.000 0.876 620 D CB -0.070 40.759 40.800 0.049 0.000 0.927 620 D HN 0.320 nan 8.370 nan 0.000 0.519 621 S N -0.938 114.853 115.700 0.151 0.000 2.442 621 S HA -0.163 4.307 4.470 -0.001 0.000 0.236 621 S C 1.736 176.514 174.600 0.297 0.000 1.007 621 S CA 0.238 58.551 58.200 0.188 0.000 0.965 621 S CB -0.813 62.492 63.200 0.176 0.000 0.773 621 S HN 0.334 nan 8.310 nan 0.000 0.504 622 W N 2.594 123.935 121.300 0.068 0.000 2.331 622 W HA 0.082 4.741 4.660 -0.001 0.000 0.291 622 W C 2.249 178.767 176.519 -0.002 0.000 1.214 622 W CA 0.334 57.696 57.345 0.029 0.000 1.228 622 W CB -0.587 28.889 29.460 0.025 0.000 1.135 622 W HN 0.358 nan 8.180 nan 0.000 0.537 623 K N -0.263 120.284 120.400 0.245 0.000 2.286 623 K HA -0.187 4.132 4.320 -0.001 0.000 0.203 623 K C 0.133 176.778 176.600 0.075 0.000 1.045 623 K CA 1.664 58.029 56.287 0.130 0.000 0.935 623 K CB -0.424 32.142 32.500 0.111 0.000 0.737 623 K HN 0.319 nan 8.250 nan 0.000 0.460 624 D N -1.386 119.062 120.400 0.080 0.000 2.819 624 D HA 0.185 4.824 4.640 -0.001 0.000 0.326 624 D C -0.603 175.710 176.300 0.021 0.000 1.408 624 D CA -0.502 53.521 54.000 0.038 0.000 0.811 624 D CB 0.464 41.288 40.800 0.039 0.000 1.148 624 D HN -0.007 nan 8.370 nan 0.000 0.457 625 A N 2.225 125.044 122.820 -0.001 0.000 2.546 625 A HA 0.368 4.688 4.320 -0.001 0.000 0.243 625 A C -1.615 175.934 177.584 -0.058 0.000 1.063 625 A CA -0.898 51.108 52.037 -0.051 0.000 0.757 625 A CB -0.151 18.752 19.000 -0.162 0.000 0.991 625 A HN 0.304 nan 8.150 nan 0.000 0.503 626 P HA 0.107 nan 4.420 nan 0.000 0.261 626 P C -0.005 177.255 177.300 -0.065 0.000 1.183 626 P CA 0.497 63.568 63.100 -0.048 0.000 0.761 626 P CB 0.290 31.965 31.700 -0.041 0.000 0.785 627 A N 4.353 127.139 122.820 -0.056 0.000 2.526 627 A HA 0.030 4.350 4.320 -0.001 0.000 0.267 627 A C 1.035 178.580 177.584 -0.065 0.000 1.095 627 A CA -0.261 51.739 52.037 -0.062 0.000 0.775 627 A CB -0.655 18.316 19.000 -0.049 0.000 1.036 627 A HN 0.659 nan 8.150 nan 0.000 0.510 628 E N 2.794 122.946 120.200 -0.079 0.000 2.458 628 E HA 0.150 4.499 4.350 -0.001 0.000 0.264 628 E C 0.787 177.349 176.600 -0.063 0.000 1.097 628 E CA 0.234 56.587 56.400 -0.079 0.000 0.973 628 E CB 0.126 29.769 29.700 -0.094 0.000 0.963 628 E HN 0.692 nan 8.360 nan 0.000 0.451 629 T N -0.241 114.278 114.554 -0.058 0.000 5.471 629 T HA 0.122 4.472 4.350 -0.001 0.000 0.311 629 T C 0.287 174.959 174.700 -0.046 0.000 0.900 629 T CA 0.266 62.337 62.100 -0.048 0.000 1.367 629 T CB -0.048 68.794 68.868 -0.043 0.000 1.584 629 T HN 0.746 nan 8.240 nan 0.000 0.338 630 K N -0.132 120.244 120.400 -0.040 0.000 2.938 630 K HA 0.517 4.837 4.320 -0.001 0.000 0.222 630 K C -0.737 175.846 176.600 -0.029 0.000 1.423 630 K CA -0.539 55.727 56.287 -0.036 0.000 0.796 630 K CB -0.172 32.309 32.500 -0.032 0.000 1.293 630 K HN 0.628 nan 8.250 nan 0.000 0.501 631 A N 2.675 125.477 122.820 -0.030 0.000 2.535 631 A HA 0.099 4.419 4.320 -0.001 0.000 0.290 631 A C 0.077 177.652 177.584 -0.014 0.000 1.270 631 A CA 0.182 52.205 52.037 -0.023 0.000 0.937 631 A CB -0.408 18.575 19.000 -0.027 0.000 1.096 631 A HN 0.690 nan 8.150 nan 0.000 0.534 632 E N 3.828 124.022 120.200 -0.010 0.000 2.187 632 E HA 0.672 5.021 4.350 -0.001 0.000 0.268 632 E C -2.463 174.138 176.600 0.001 0.000 0.896 632 E CA -1.809 54.590 56.400 -0.000 0.000 0.766 632 E CB 1.305 31.005 29.700 -0.001 0.000 1.142 632 E HN 0.485 nan 8.360 nan 0.000 0.408 633 P HA 0.192 nan 4.420 nan 0.000 0.279 633 P C -0.690 176.609 177.300 -0.002 0.000 1.276 633 P CA -0.812 62.293 63.100 0.008 0.000 0.801 633 P CB 0.640 32.351 31.700 0.019 0.000 1.127 634 M N 0.238 119.840 119.600 0.002 0.000 2.240 634 M HA 0.354 4.834 4.480 -0.001 0.000 0.333 634 M C -0.246 176.003 176.300 -0.084 0.000 1.110 634 M CA 0.991 56.279 55.300 -0.019 0.000 1.173 634 M CB -0.178 32.428 32.600 0.010 0.000 1.458 634 M HN 0.509 nan 8.290 nan 0.000 0.458 635 T N 2.601 117.033 114.554 -0.204 0.000 2.775 635 T HA 0.350 4.700 4.350 -0.001 0.000 0.320 635 T C -0.899 173.533 174.700 -0.447 0.000 1.597 635 T CA -0.929 60.803 62.100 -0.615 0.000 1.022 635 T CB 1.000 69.520 68.868 -0.578 0.000 1.485 635 T HN 0.695 nan 8.240 nan 0.000 0.494 636 N N 1.759 120.082 118.700 -0.629 0.000 2.326 636 N HA 0.590 5.330 4.740 -0.001 0.000 0.239 636 N C 0.310 175.797 175.510 -0.038 0.000 1.301 636 N CA 0.481 53.427 53.050 -0.173 0.000 0.909 636 N CB 0.476 38.960 38.487 -0.004 0.000 1.156 636 N HN 0.966 nan 8.380 nan 0.000 0.462 637 E N -1.140 119.080 120.200 0.033 0.000 0.000 637 E HA 0.482 4.832 4.350 -0.001 0.000 0.000 637 E C -1.131 nan 176.600 nan 0.000 0.000 637 E CA -0.389 56.032 56.400 0.034 0.000 0.000 637 E CB 0.544 nan 29.700 nan 0.000 0.000 637 E HN 0.450 nan 8.360 nan 0.000 0.000 638 F N -2.178 117.767 119.950 -0.008 0.000 0.000 638 F HA 0.187 4.713 4.527 -0.001 0.000 0.000 638 F C 1.235 177.049 175.800 0.024 0.000 0.000 638 F CA 0.930 58.927 58.000 -0.006 0.000 0.000 638 F CB -0.346 38.670 39.000 0.027 0.000 0.000 638 F HN 0.659 nan 8.300 nan 0.000 0.000 639 F N 2.511 122.459 119.950 -0.004 0.000 2.102 639 F HA -0.021 4.506 4.527 -0.001 0.000 0.298 639 F C 2.102 177.810 175.800 -0.152 0.000 1.105 639 F CA 2.450 60.403 58.000 -0.077 0.000 1.239 639 F CB -0.233 38.663 39.000 -0.174 0.000 0.991 639 F HN -0.147 nan 8.300 nan 0.000 0.474 640 K N -0.164 120.229 120.400 -0.012 0.000 2.026 640 K HA -0.146 4.173 4.320 -0.001 0.000 0.208 640 K C 1.615 178.108 176.600 -0.178 0.000 1.048 640 K CA 1.576 57.817 56.287 -0.076 0.000 0.929 640 K CB -0.317 32.166 32.500 -0.028 0.000 0.713 640 K HN 0.286 nan 8.250 nan 0.000 0.439 641 N N -0.013 118.563 118.700 -0.207 0.000 2.415 641 N HA -0.034 4.706 4.740 -0.001 0.000 0.176 641 N C 1.528 176.820 175.510 -0.363 0.000 1.042 641 N CA 0.761 53.666 53.050 -0.241 0.000 0.902 641 N CB 0.608 38.980 38.487 -0.192 0.000 0.986 641 N HN 0.001 nan 8.380 nan 0.000 0.447 642 V N -0.517 119.066 119.914 -0.551 0.000 3.134 642 V HA 0.072 4.191 4.120 -0.001 0.000 0.222 642 V C 1.995 177.811 176.094 -0.463 0.000 1.247 642 V CA 0.256 62.169 62.300 -0.644 0.000 1.281 642 V CB -0.247 30.842 31.823 -1.224 0.000 1.169 642 V HN -0.023 nan 8.190 nan 0.000 0.512 643 V N 0.704 120.298 119.914 -0.532 0.000 2.379 643 V HA -0.194 3.926 4.120 -0.001 0.000 0.245 643 V C 2.497 178.316 176.094 -0.459 0.000 1.044 643 V CA 2.901 64.996 62.300 -0.342 0.000 1.036 643 V CB -0.201 31.497 31.823 -0.208 0.000 0.664 643 V HN 0.580 nan 8.190 nan 0.000 0.453 644 K N 1.118 121.073 120.400 -0.742 0.000 2.020 644 K HA -0.104 4.215 4.320 -0.001 0.000 0.212 644 K C -0.052 176.410 176.600 -0.232 0.000 1.050 644 K CA 2.612 58.568 56.287 -0.550 0.000 0.929 644 K CB -1.674 30.551 32.500 -0.457 0.000 0.714 644 K HN 0.440 nan 8.250 nan 0.000 0.443 645 P HA -0.124 nan 4.420 nan 0.000 0.215 645 P C 1.150 178.427 177.300 -0.038 0.000 1.153 645 P CA 1.439 64.483 63.100 -0.095 0.000 0.853 645 P CB 0.001 31.635 31.700 -0.110 0.000 0.788 646 I N -1.417 119.126 120.570 -0.045 0.000 2.179 646 I HA -0.216 3.953 4.170 -0.001 0.000 0.242 646 I C 2.185 178.327 176.117 0.042 0.000 1.088 646 I CA 1.335 62.649 61.300 0.024 0.000 1.357 646 I CB -0.668 37.372 38.000 0.066 0.000 1.051 646 I HN -0.109 nan 8.210 nan 0.000 0.409 647 L N 0.346 121.584 121.223 0.025 0.000 2.265 647 L HA -0.148 4.192 4.340 -0.001 0.000 0.215 647 L C 2.177 179.163 176.870 0.194 0.000 1.117 647 L CA 1.537 56.435 54.840 0.097 0.000 0.782 647 L CB -0.849 41.256 42.059 0.076 0.000 0.914 647 L HN 0.432 nan 8.230 nan 0.000 0.441 648 T N -4.178 110.465 114.554 0.149 0.000 3.235 648 T HA 0.071 4.420 4.350 -0.001 0.000 0.251 648 T C 0.671 175.504 174.700 0.222 0.000 1.060 648 T CA -0.365 61.887 62.100 0.253 0.000 0.949 648 T CB 0.268 69.207 68.868 0.119 0.000 1.020 648 T HN 0.260 nan 8.240 nan 0.000 0.564 649 Q N 0.080 119.957 119.800 0.128 0.000 2.503 649 Q HA -0.162 4.177 4.340 -0.001 0.000 0.267 649 Q C 0.283 176.317 176.000 0.057 0.000 1.030 649 Q CA 0.811 56.650 55.803 0.059 0.000 1.041 649 Q CB -2.090 26.671 28.738 0.038 0.000 1.406 649 Q HN 0.618 nan 8.270 nan 0.000 0.524 650 Q N -1.552 118.280 119.800 0.052 0.000 2.179 650 Q HA 0.229 4.569 4.340 -0.001 0.000 0.213 650 Q C 1.694 177.715 176.000 0.035 0.000 0.833 650 Q CA 0.733 56.557 55.803 0.037 0.000 0.990 650 Q CB 0.716 29.468 28.738 0.023 0.000 1.132 650 Q HN 0.469 nan 8.270 nan 0.000 0.493 651 G N 1.504 110.332 108.800 0.046 0.000 2.442 651 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.219 651 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.219 651 G C 1.104 176.059 174.900 0.091 0.000 1.141 651 G CA 0.671 45.821 45.100 0.084 0.000 0.763 651 G HN 0.292 nan 8.290 nan 0.000 0.554 652 D N 0.436 120.865 120.400 0.049 0.000 2.221 652 D HA -0.069 4.570 4.640 -0.001 0.000 0.204 652 D C 2.219 178.551 176.300 0.052 0.000 0.982 652 D CA 0.830 54.854 54.000 0.041 0.000 0.857 652 D CB -0.015 40.796 40.800 0.018 0.000 0.934 652 D HN 0.347 nan 8.370 nan 0.000 0.475 653 K N -0.075 120.352 120.400 0.046 0.000 2.459 653 K HA 0.003 4.323 4.320 -0.001 0.000 0.193 653 K C 0.312 176.938 176.600 0.044 0.000 1.030 653 K CA -0.324 55.984 56.287 0.035 0.000 1.026 653 K CB 0.366 32.876 32.500 0.016 0.000 0.809 653 K HN -0.014 nan 8.250 nan 0.000 0.504 654 L N 3.245 124.516 121.223 0.080 0.000 2.410 654 L HA 0.085 4.425 4.340 -0.001 0.000 0.273 654 L C -1.928 175.038 176.870 0.161 0.000 1.144 654 L CA -1.919 52.974 54.840 0.087 0.000 0.863 654 L CB 0.222 42.369 42.059 0.147 0.000 1.140 654 L HN 0.009 nan 8.230 nan 0.000 0.463 655 P HA 0.094 nan 4.420 nan 0.000 0.276 655 P C 1.074 178.489 177.300 0.191 0.000 1.252 655 P CA -0.415 62.746 63.100 0.103 0.000 0.802 655 P CB 0.941 32.661 31.700 0.034 0.000 1.035 656 V N -0.818 119.199 119.914 0.171 0.000 2.469 656 V HA -0.228 3.892 4.120 -0.001 0.000 0.251 656 V C 2.280 178.487 176.094 0.188 0.000 1.064 656 V CA 2.416 64.846 62.300 0.216 0.000 1.066 656 V CB -2.457 29.429 31.823 0.105 0.000 0.667 656 V HN 0.677 nan 8.190 nan 0.000 0.461 657 S N 1.499 117.245 115.700 0.076 0.000 2.500 657 S HA 0.073 4.543 4.470 -0.001 0.000 0.239 657 S C 1.892 176.460 174.600 -0.054 0.000 0.989 657 S CA 1.104 59.315 58.200 0.019 0.000 0.951 657 S CB -0.582 62.615 63.200 -0.005 0.000 0.759 657 S HN 1.106 nan 8.310 nan 0.000 0.523 658 A N 0.128 122.855 122.820 -0.156 0.000 2.167 658 A HA 0.435 4.755 4.320 -0.001 0.000 0.214 658 A C 0.360 177.537 177.584 -0.679 0.000 1.151 658 A CA 0.069 51.816 52.037 -0.484 0.000 0.735 658 A CB -0.354 18.195 19.000 -0.751 0.000 0.802 658 A HN 0.517 nan 8.150 nan 0.000 0.467 659 F N -0.391 119.554 119.950 -0.008 0.000 2.523 659 F HA 0.482 5.009 4.527 -0.001 0.000 0.329 659 F C 0.266 176.064 175.800 -0.004 0.000 1.061 659 F CA -1.216 56.781 58.000 -0.006 0.000 0.967 659 F CB 0.882 39.901 39.000 0.031 0.000 1.218 659 F HN -0.127 nan 8.300 nan 0.000 0.480 660 E N 0.765 121.076 120.200 0.186 0.000 2.316 660 E HA 0.209 4.559 4.350 -0.001 0.000 0.275 660 E C 0.794 177.472 176.600 0.130 0.000 1.029 660 E CA 0.031 56.499 56.400 0.114 0.000 0.871 660 E CB 1.436 31.187 29.700 0.085 0.000 1.022 660 E HN 0.759 nan 8.360 nan 0.000 0.418 661 A N 3.935 126.806 122.820 0.085 0.000 1.997 661 A HA -0.241 4.079 4.320 -0.001 0.000 0.221 661 A C 1.276 178.908 177.584 0.080 0.000 1.172 661 A CA 2.158 54.232 52.037 0.062 0.000 0.645 661 A CB -0.281 18.746 19.000 0.044 0.000 0.813 661 A HN 0.583 nan 8.150 nan 0.000 0.454 662 D N -2.876 117.590 120.400 0.110 0.000 2.340 662 D HA 0.322 4.961 4.640 -0.001 0.000 0.217 662 D C 1.097 177.524 176.300 0.212 0.000 1.081 662 D CA 0.758 54.843 54.000 0.141 0.000 0.842 662 D CB -0.589 40.280 40.800 0.115 0.000 0.934 662 D HN 0.780 nan 8.370 nan 0.000 0.511 663 G N 1.307 110.263 108.800 0.259 0.000 2.184 663 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.264 663 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.264 663 G C 0.379 175.521 174.900 0.404 0.000 0.975 663 G CA 0.247 45.578 45.100 0.385 0.000 0.642 663 G HN 0.774 nan 8.290 nan 0.000 0.536 664 R N -1.085 119.585 120.500 0.283 0.000 2.694 664 R HA 0.656 4.995 4.340 -0.001 0.000 0.268 664 R C -0.659 175.819 176.300 0.297 0.000 1.061 664 R CA -0.142 56.125 56.100 0.278 0.000 1.133 664 R CB 0.477 30.872 30.300 0.157 0.000 1.020 664 R HN 0.096 nan 8.270 nan 0.000 0.475 665 F N 0.751 120.755 119.950 0.089 0.000 2.593 665 F HA 0.510 5.036 4.527 -0.001 0.000 0.320 665 F C -1.866 173.889 175.800 -0.075 0.000 1.060 665 F CA -2.395 55.624 58.000 0.030 0.000 0.940 665 F CB 1.982 41.060 39.000 0.130 0.000 1.268 665 F HN 0.595 nan 8.300 nan 0.000 0.475 666 P HA 0.385 nan 4.420 nan 0.000 0.281 666 P C -1.069 176.260 177.300 0.048 0.000 1.249 666 P CA -0.407 62.622 63.100 -0.119 0.000 0.810 666 P CB 1.294 32.774 31.700 -0.367 0.000 1.008 667 L N 0.653 121.910 121.223 0.057 0.000 2.466 667 L HA 0.386 4.725 4.340 -0.001 0.000 0.257 667 L C 1.792 178.733 176.870 0.118 0.000 1.189 667 L CA 1.420 56.318 54.840 0.097 0.000 0.813 667 L CB -0.600 41.507 42.059 0.081 0.000 1.118 667 L HN 0.859 nan 8.230 nan 0.000 0.471 668 G N -0.477 108.396 108.800 0.121 0.000 2.153 668 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.252 668 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.252 668 G C 0.884 175.910 174.900 0.210 0.000 0.994 668 G CA 0.826 45.994 45.100 0.114 0.000 0.698 668 G HN 0.855 nan 8.290 nan 0.000 0.521 669 T N -1.627 113.118 114.554 0.318 0.000 3.035 669 T HA 0.069 4.418 4.350 -0.001 0.000 0.268 669 T C 2.519 177.500 174.700 0.468 0.000 1.109 669 T CA 1.853 64.264 62.100 0.517 0.000 1.119 669 T CB -0.250 68.981 68.868 0.605 0.000 0.900 669 T HN 1.331 nan 8.240 nan 0.000 0.503 670 S N 0.834 116.712 115.700 0.296 0.000 2.522 670 S HA -0.046 4.423 4.470 -0.001 0.000 0.227 670 S C 1.991 176.737 174.600 0.244 0.000 0.986 670 S CA -0.052 58.322 58.200 0.291 0.000 0.929 670 S CB -0.436 62.916 63.200 0.253 0.000 0.769 670 S HN 0.373 nan 8.310 nan 0.000 0.529 671 Q N 0.461 120.284 119.800 0.038 0.000 2.226 671 Q HA 0.005 4.344 4.340 -0.001 0.000 0.204 671 Q C 0.840 176.493 176.000 -0.579 0.000 0.975 671 Q CA 1.208 56.867 55.803 -0.241 0.000 0.866 671 Q CB -0.442 27.916 28.738 -0.635 0.000 0.915 671 Q HN 0.831 nan 8.270 nan 0.000 0.440 672 F N -0.354 119.485 119.950 -0.185 0.000 2.695 672 F HA 0.183 4.709 4.527 -0.001 0.000 0.303 672 F C 1.872 177.499 175.800 -0.288 0.000 1.091 672 F CA -0.241 57.456 58.000 -0.504 0.000 1.300 672 F CB 0.240 38.414 39.000 -1.376 0.000 1.071 672 F HN 0.004 nan 8.300 nan 0.000 0.578 673 E N 0.806 121.094 120.200 0.147 0.000 2.051 673 E HA -0.135 4.214 4.350 -0.001 0.000 0.192 673 E C 0.358 177.025 176.600 0.112 0.000 0.991 673 E CA 0.617 57.176 56.400 0.266 0.000 0.799 673 E CB -0.034 29.830 29.700 0.274 0.000 0.748 673 E HN -0.017 nan 8.360 nan 0.000 0.449 674 K N 0.862 121.242 120.400 -0.033 0.000 4.444 674 K HA -0.264 4.056 4.320 -0.001 0.000 0.281 674 K C 0.433 177.025 176.600 -0.013 0.000 0.817 674 K CA 0.580 56.810 56.287 -0.095 0.000 0.793 674 K CB -0.953 31.490 32.500 -0.095 0.000 1.784 674 K HN 0.312 nan 8.250 nan 0.000 0.424 675 R N 0.278 120.781 120.500 0.006 0.000 2.092 675 R HA -0.070 4.269 4.340 -0.001 0.000 0.231 675 R C 1.320 177.639 176.300 0.031 0.000 1.119 675 R CA 0.902 57.032 56.100 0.050 0.000 0.970 675 R CB 0.039 30.385 30.300 0.077 0.000 0.864 675 R HN 0.705 nan 8.270 nan 0.000 0.440 676 G N 1.167 109.962 108.800 -0.009 0.000 2.350 676 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.298 676 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.298 676 G C 0.465 175.374 174.900 0.014 0.000 1.037 676 G CA 0.415 45.511 45.100 -0.008 0.000 1.074 676 G HN 0.356 nan 8.290 nan 0.000 0.511 677 V N -3.051 116.870 119.914 0.011 0.000 3.483 677 V HA 0.753 4.873 4.120 -0.001 0.000 0.301 677 V C 1.373 177.470 176.094 0.006 0.000 1.389 677 V CA 0.595 62.912 62.300 0.027 0.000 1.101 677 V CB 0.025 31.880 31.823 0.054 0.000 0.971 677 V HN 1.639 nan 8.190 nan 0.000 0.434 678 A N 0.740 123.551 122.820 -0.015 0.000 2.425 678 A HA 0.599 4.918 4.320 -0.001 0.000 0.249 678 A C 1.137 178.718 177.584 -0.004 0.000 1.084 678 A CA -0.267 51.758 52.037 -0.019 0.000 0.781 678 A CB 0.292 19.272 19.000 -0.033 0.000 1.019 678 A HN 0.202 nan 8.150 nan 0.000 0.490 679 I N 0.923 121.493 120.570 -0.001 0.000 2.339 679 I HA -0.011 4.158 4.170 -0.001 0.000 0.245 679 I C 0.483 176.603 176.117 0.005 0.000 1.096 679 I CA 1.043 62.345 61.300 0.004 0.000 1.408 679 I CB -1.024 36.978 38.000 0.004 0.000 1.092 679 I HN 0.544 nan 8.210 nan 0.000 0.423 680 N N 0.795 119.497 118.700 0.003 0.000 2.269 680 N HA 0.501 5.241 4.740 -0.001 0.000 0.304 680 N C -0.674 174.839 175.510 0.005 0.000 1.072 680 N CA -0.205 52.849 53.050 0.007 0.000 0.802 680 N CB 3.347 41.839 38.487 0.009 0.000 1.348 680 N HN -0.084 nan 8.380 nan 0.000 0.484 681 V N -1.121 118.799 119.914 0.010 0.000 3.040 681 V HA 0.757 4.876 4.120 -0.001 0.000 0.312 681 V C -2.667 173.442 176.094 0.025 0.000 1.115 681 V CA -2.302 60.005 62.300 0.011 0.000 0.998 681 V CB 2.523 34.350 31.823 0.007 0.000 1.042 681 V HN 0.463 nan 8.190 nan 0.000 0.433 682 P HA 0.272 nan 4.420 nan 0.000 0.278 682 P C -1.332 176.011 177.300 0.071 0.000 1.238 682 P CA -0.114 63.017 63.100 0.052 0.000 0.794 682 P CB 1.208 32.943 31.700 0.057 0.000 0.955 683 Q N 2.316 122.168 119.800 0.088 0.000 2.331 683 Q HA 0.279 4.619 4.340 -0.001 0.000 0.267 683 Q C -1.393 174.713 176.000 0.177 0.000 1.006 683 Q CA -0.815 55.054 55.803 0.110 0.000 0.818 683 Q CB 1.039 29.819 28.738 0.069 0.000 1.276 683 Q HN 0.403 nan 8.270 nan 0.000 0.450 684 W N 4.624 125.918 121.300 -0.010 0.000 2.238 684 W HA 0.357 5.017 4.660 -0.001 0.000 0.321 684 W C -1.131 175.383 176.519 -0.008 0.000 1.293 684 W CA -0.363 56.975 57.345 -0.012 0.000 1.204 684 W CB 0.889 30.328 29.460 -0.034 0.000 1.167 684 W HN 0.379 nan 8.180 nan 0.000 0.553 685 V N 10.298 129.975 119.914 -0.395 0.000 2.266 685 V HA 0.108 4.227 4.120 -0.001 0.000 0.266 685 V C -1.467 174.149 176.094 -0.798 0.000 1.036 685 V CA -1.414 60.622 62.300 -0.440 0.000 0.828 685 V CB 0.865 32.565 31.823 -0.205 0.000 1.081 685 V HN 0.483 nan 8.190 nan 0.000 0.449 686 P HA -0.246 nan 4.420 nan 0.000 0.219 686 P C 1.341 178.328 177.300 -0.520 0.000 1.158 686 P CA 1.635 63.998 63.100 -1.228 0.000 0.895 686 P CB 0.337 31.505 31.700 -0.887 0.000 0.792 687 E N -0.972 119.024 120.200 -0.339 0.000 2.209 687 E HA -0.178 4.171 4.350 -0.001 0.000 0.196 687 E C 1.417 177.936 176.600 -0.135 0.000 0.993 687 E CA 1.417 57.708 56.400 -0.181 0.000 0.819 687 E CB -1.067 28.551 29.700 -0.136 0.000 0.745 687 E HN 0.511 nan 8.360 nan 0.000 0.477 688 N N -0.756 117.848 118.700 -0.160 0.000 2.392 688 N HA 0.053 4.793 4.740 -0.001 0.000 0.177 688 N C -0.112 175.372 175.510 -0.042 0.000 1.066 688 N CA -0.282 52.715 53.050 -0.088 0.000 0.895 688 N CB 0.296 38.737 38.487 -0.078 0.000 0.988 688 N HN 0.064 nan 8.380 nan 0.000 0.457 689 C N 1.859 121.128 119.300 -0.053 0.000 2.653 689 C HA 0.171 4.630 4.460 -0.001 0.000 0.421 689 C C 1.680 176.736 174.990 0.110 0.000 1.334 689 C CA -0.530 58.558 59.018 0.117 0.000 1.885 689 C CB -0.834 27.101 27.740 0.324 0.000 2.645 689 C HN 0.469 nan 8.230 nan 0.000 0.601 690 I N 1.713 122.343 120.570 0.100 0.000 3.941 690 I HA 0.260 4.429 4.170 -0.001 0.000 0.335 690 I C 0.571 176.671 176.117 -0.029 0.000 1.402 690 I CA -0.072 61.245 61.300 0.029 0.000 1.112 690 I CB -0.666 37.336 38.000 0.003 0.000 1.043 690 I HN 0.843 nan 8.210 nan 0.000 0.395 691 Q N 1.150 120.953 119.800 0.005 0.000 2.453 691 Q HA -0.219 4.120 4.340 -0.001 0.000 0.330 691 Q C 1.122 176.942 176.000 -0.299 0.000 1.417 691 Q CA 0.605 56.202 55.803 -0.343 0.000 0.902 691 Q CB -2.089 26.182 28.738 -0.779 0.000 1.154 691 Q HN 0.935 nan 8.270 nan 0.000 0.395 692 C N -2.855 116.388 119.300 -0.095 0.000 2.735 692 C HA 0.229 4.689 4.460 -0.001 0.000 0.271 692 C C 1.143 176.073 174.990 -0.101 0.000 1.281 692 C CA 0.549 59.505 59.018 -0.104 0.000 1.719 692 C CB -0.460 27.243 27.740 -0.061 0.000 2.024 692 C HN 0.888 nan 8.230 nan 0.000 0.566 693 N N 0.208 118.899 118.700 -0.015 0.000 2.863 693 N HA -0.263 4.477 4.740 -0.001 0.000 0.245 693 N C 0.913 176.431 175.510 0.014 0.000 1.001 693 N CA 1.086 54.131 53.050 -0.008 0.000 0.901 693 N CB -1.088 37.301 38.487 -0.164 0.000 1.124 693 N HN 0.728 nan 8.380 nan 0.000 0.582 694 Q N -0.091 119.708 119.800 -0.002 0.000 2.170 694 Q HA -0.169 4.170 4.340 -0.001 0.000 0.203 694 Q C 2.578 178.623 176.000 0.075 0.000 0.976 694 Q CA 1.886 57.690 55.803 0.001 0.000 0.858 694 Q CB -0.073 28.637 28.738 -0.046 0.000 0.907 694 Q HN 0.821 nan 8.270 nan 0.000 0.433 695 C N -0.506 118.833 119.300 0.065 0.000 2.432 695 C HA 0.015 4.474 4.460 -0.001 0.000 0.277 695 C C 2.737 177.761 174.990 0.055 0.000 1.249 695 C CA 0.462 59.517 59.018 0.061 0.000 1.725 695 C CB -1.353 26.422 27.740 0.058 0.000 2.028 695 C HN 0.463 nan 8.230 nan 0.000 0.477 696 A N 0.061 122.910 122.820 0.047 0.000 1.930 696 A HA -0.033 4.286 4.320 -0.001 0.000 0.217 696 A C 2.008 179.613 177.584 0.034 0.000 1.175 696 A CA 1.519 53.568 52.037 0.019 0.000 0.627 696 A CB -1.036 17.960 19.000 -0.006 0.000 0.815 696 A HN 0.629 nan 8.150 nan 0.000 0.443 697 F N 0.195 120.106 119.950 -0.066 0.000 2.171 697 F HA -0.135 4.391 4.527 -0.001 0.000 0.300 697 F C 2.053 177.808 175.800 -0.076 0.000 1.090 697 F CA 1.848 59.809 58.000 -0.064 0.000 1.293 697 F CB 0.169 39.137 39.000 -0.053 0.000 1.013 697 F HN 0.043 nan 8.300 nan 0.000 0.486 698 V N -0.949 119.069 119.914 0.173 0.000 3.235 698 V HA -0.082 4.038 4.120 -0.001 0.000 0.259 698 V C 1.083 177.156 176.094 -0.034 0.000 1.133 698 V CA 0.263 62.600 62.300 0.061 0.000 1.128 698 V CB -0.520 31.347 31.823 0.074 0.000 0.757 698 V HN 0.395 nan 8.190 nan 0.000 0.469 699 C N 3.043 122.325 119.300 -0.030 0.000 2.592 699 C HA 0.104 4.563 4.460 -0.001 0.000 0.408 699 C C -0.416 174.525 174.990 -0.082 0.000 1.436 699 C CA -0.760 58.241 59.018 -0.029 0.000 1.595 699 C CB 0.324 28.061 27.740 -0.004 0.000 2.487 699 C HN 0.340 nan 8.230 nan 0.000 0.610 700 P HA 0.040 nan 4.420 nan 0.000 0.237 700 P C -0.001 177.075 177.300 -0.373 0.000 1.178 700 P CA 1.310 64.301 63.100 -0.182 0.000 0.766 700 P CB 0.062 31.719 31.700 -0.072 0.000 0.876 701 H N -3.350 115.653 119.070 -0.112 0.000 3.052 701 H HA 0.295 4.850 4.556 -0.001 0.000 0.257 701 H C 0.477 175.805 175.328 -0.001 0.000 1.193 701 H CA -0.135 55.879 56.048 -0.057 0.000 1.072 701 H CB 0.061 29.844 29.762 0.034 0.000 1.685 701 H HN -0.219 nan 8.280 nan 0.000 0.630 702 S N 0.167 115.869 115.700 0.003 0.000 3.635 702 S HA -0.259 4.210 4.470 -0.001 0.000 0.328 702 S C 1.357 176.064 174.600 0.178 0.000 1.135 702 S CA 0.492 58.676 58.200 -0.027 0.000 0.942 702 S CB -1.406 61.645 63.200 -0.249 0.000 0.930 702 S HN 0.685 nan 8.310 nan 0.000 0.512 703 A N -0.054 122.879 122.820 0.187 0.000 2.238 703 A HA 0.462 4.782 4.320 -0.001 0.000 0.208 703 A C 0.621 178.246 177.584 0.068 0.000 1.177 703 A CA 0.338 52.474 52.037 0.165 0.000 0.804 703 A CB 0.000 19.058 19.000 0.096 0.000 0.823 703 A HN 0.669 nan 8.150 nan 0.000 0.482 704 I N 0.656 121.248 120.570 0.037 0.000 2.389 704 I HA 0.309 4.478 4.170 -0.001 0.000 0.288 704 I C -1.095 175.002 176.117 -0.034 0.000 0.999 704 I CA -0.793 60.495 61.300 -0.020 0.000 1.129 704 I CB 1.925 39.906 38.000 -0.031 0.000 1.288 704 I HN 0.069 nan 8.210 nan 0.000 0.444 705 L N 10.080 131.265 121.223 -0.063 0.000 2.295 705 L HA 0.623 4.963 4.340 -0.001 0.000 0.281 705 L C -2.628 174.167 176.870 -0.124 0.000 1.018 705 L CA -1.926 52.880 54.840 -0.057 0.000 0.841 705 L CB 0.964 43.011 42.059 -0.019 0.000 1.218 705 L HN 0.222 nan 8.230 nan 0.000 0.424 706 P HA 0.245 nan 4.420 nan 0.000 0.276 706 P C -1.235 176.045 177.300 -0.034 0.000 1.230 706 P CA -0.136 62.907 63.100 -0.095 0.000 0.776 706 P CB 1.230 33.000 31.700 0.117 0.000 0.888 707 V N 5.020 124.798 119.914 -0.225 0.000 2.487 707 V HA 0.397 4.517 4.120 -0.001 0.000 0.298 707 V C -0.389 175.657 176.094 -0.081 0.000 1.028 707 V CA -0.506 61.724 62.300 -0.116 0.000 0.860 707 V CB 1.655 33.411 31.823 -0.111 0.000 0.991 707 V HN 0.333 nan 8.190 nan 0.000 0.427 708 L N 5.172 126.361 121.223 -0.057 0.000 2.377 708 L HA 0.914 5.254 4.340 -0.001 0.000 0.270 708 L C -0.085 176.800 176.870 0.025 0.000 0.991 708 L CA 0.025 54.821 54.840 -0.072 0.000 0.851 708 L CB 1.124 42.855 42.059 -0.547 0.000 1.218 708 L HN 0.785 nan 8.230 nan 0.000 0.420 709 A N 4.443 127.362 122.820 0.164 0.000 2.423 709 A HA 0.806 5.125 4.320 -0.001 0.000 0.304 709 A C -0.880 176.829 177.584 0.208 0.000 1.104 709 A CA -0.819 51.329 52.037 0.184 0.000 0.757 709 A CB 1.315 20.406 19.000 0.152 0.000 1.313 709 A HN 0.594 nan 8.150 nan 0.000 0.423 710 K N 0.338 120.802 120.400 0.106 0.000 2.098 710 K HA 0.214 4.533 4.320 -0.001 0.000 0.257 710 K C 0.759 177.369 176.600 0.016 0.000 0.999 710 K CA -0.373 55.895 56.287 -0.031 0.000 0.924 710 K CB 1.313 33.758 32.500 -0.091 0.000 1.028 710 K HN 0.884 nan 8.250 nan 0.000 0.466 711 E N 1.789 121.983 120.200 -0.010 0.000 2.114 711 E HA -0.295 4.054 4.350 -0.001 0.000 0.199 711 E C 1.081 177.702 176.600 0.036 0.000 1.008 711 E CA 1.570 57.985 56.400 0.024 0.000 0.810 711 E CB 0.265 29.966 29.700 0.003 0.000 0.739 711 E HN 0.449 nan 8.360 nan 0.000 0.456 712 E N 0.407 120.615 120.200 0.014 0.000 2.085 712 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 712 E C 1.844 178.468 176.600 0.040 0.000 0.994 712 E CA 1.135 57.547 56.400 0.020 0.000 0.801 712 E CB -0.205 29.496 29.700 0.001 0.000 0.743 712 E HN 0.476 nan 8.360 nan 0.000 0.453 713 E N -0.003 120.224 120.200 0.046 0.000 2.472 713 E HA -0.100 4.250 4.350 -0.001 0.000 0.200 713 E C 0.712 177.386 176.600 0.124 0.000 1.046 713 E CA 0.150 56.583 56.400 0.054 0.000 0.871 713 E CB 0.150 29.871 29.700 0.035 0.000 0.806 713 E HN 0.021 nan 8.360 nan 0.000 0.533 714 L N -0.401 120.915 121.223 0.154 0.000 2.769 714 L HA 0.045 4.385 4.340 -0.001 0.000 0.240 714 L C 1.393 178.347 176.870 0.140 0.000 1.163 714 L CA 0.282 55.255 54.840 0.221 0.000 0.962 714 L CB 0.585 42.786 42.059 0.237 0.000 1.258 714 L HN -0.041 nan 8.230 nan 0.000 0.513 715 V N 0.264 120.242 119.914 0.106 0.000 2.233 715 V HA -0.207 3.912 4.120 -0.001 0.000 0.247 715 V C 2.076 178.183 176.094 0.021 0.000 1.050 715 V CA 2.176 64.510 62.300 0.056 0.000 1.010 715 V CB -0.943 30.907 31.823 0.045 0.000 0.637 715 V HN 0.564 nan 8.190 nan 0.000 0.444 716 G N -0.524 108.300 108.800 0.040 0.000 3.327 716 G HA2 0.407 4.366 3.960 -0.001 0.000 0.240 716 G HA3 0.407 4.366 3.960 -0.001 0.000 0.240 716 G C 0.408 175.088 174.900 -0.367 0.000 1.222 716 G CA 0.448 45.514 45.100 -0.057 0.000 0.871 716 G HN 0.612 nan 8.290 nan 0.000 0.525 717 A N 1.052 123.610 122.820 -0.437 0.000 2.440 717 A HA 0.584 4.903 4.320 -0.001 0.000 0.251 717 A C -1.842 175.421 177.584 -0.535 0.000 1.089 717 A CA -0.939 50.531 52.037 -0.946 0.000 0.779 717 A CB 0.318 19.120 19.000 -0.329 0.000 1.022 717 A HN 0.218 nan 8.150 nan 0.000 0.492 718 P HA 0.105 nan 4.420 nan 0.000 0.267 718 P C 1.044 178.313 177.300 -0.053 0.000 1.201 718 P CA 0.698 63.657 63.100 -0.236 0.000 0.775 718 P CB 0.601 32.191 31.700 -0.183 0.000 0.854 719 A N 3.240 126.045 122.820 -0.025 0.000 1.917 719 A HA -0.240 4.079 4.320 -0.001 0.000 0.219 719 A C 1.495 179.115 177.584 0.059 0.000 1.182 719 A CA 2.187 54.233 52.037 0.015 0.000 0.633 719 A CB -1.499 17.504 19.000 0.005 0.000 0.819 719 A HN 0.833 nan 8.150 nan 0.000 0.448 720 N N -2.301 116.444 118.700 0.074 0.000 2.362 720 N HA 0.083 4.822 4.740 -0.001 0.000 0.204 720 N C 0.199 175.806 175.510 0.161 0.000 1.166 720 N CA -0.232 52.876 53.050 0.096 0.000 0.831 720 N CB -0.119 38.414 38.487 0.077 0.000 1.008 720 N HN 0.286 nan 8.380 nan 0.000 0.472 721 F N 2.935 122.891 119.950 0.009 0.000 2.705 721 F HA 0.177 4.703 4.527 -0.001 0.000 0.355 721 F C 0.096 175.947 175.800 0.085 0.000 1.172 721 F CA -0.513 57.509 58.000 0.038 0.000 1.332 721 F CB -0.950 38.041 39.000 -0.014 0.000 1.621 721 F HN -0.105 nan 8.300 nan 0.000 0.605 722 T N 2.337 116.908 114.554 0.028 0.000 2.905 722 T HA 0.355 4.704 4.350 -0.001 0.000 0.299 722 T C 0.280 175.003 174.700 0.039 0.000 1.024 722 T CA 0.488 62.616 62.100 0.046 0.000 1.151 722 T CB 0.366 69.268 68.868 0.057 0.000 0.987 722 T HN 0.514 nan 8.240 nan 0.000 0.535 723 A N 3.454 126.323 122.820 0.081 0.000 2.454 723 A HA 0.825 5.145 4.320 -0.001 0.000 0.302 723 A C -0.863 176.826 177.584 0.176 0.000 1.079 723 A CA -0.892 51.218 52.037 0.123 0.000 0.731 723 A CB 1.256 20.309 19.000 0.090 0.000 1.299 723 A HN 0.760 nan 8.150 nan 0.000 0.413 724 L N 0.554 121.935 121.223 0.264 0.000 2.319 724 L HA 0.458 4.797 4.340 -0.001 0.000 0.267 724 L C 0.087 177.096 176.870 0.232 0.000 1.011 724 L CA -0.753 54.230 54.840 0.239 0.000 0.818 724 L CB 1.768 44.016 42.059 0.315 0.000 1.316 724 L HN 0.771 nan 8.230 nan 0.000 0.432 725 E N 1.313 121.611 120.200 0.164 0.000 2.376 725 E HA 0.237 4.586 4.350 -0.001 0.000 0.266 725 E C -0.222 176.481 176.600 0.171 0.000 1.009 725 E CA -0.420 56.069 56.400 0.147 0.000 0.902 725 E CB 1.058 30.816 29.700 0.097 0.000 0.972 725 E HN 0.595 nan 8.360 nan 0.000 0.439 726 A N 4.517 127.457 122.820 0.199 0.000 2.524 726 A HA 0.021 4.340 4.320 -0.001 0.000 0.250 726 A C 0.058 177.695 177.584 0.088 0.000 1.078 726 A CA 0.143 52.286 52.037 0.177 0.000 0.761 726 A CB 0.157 19.298 19.000 0.235 0.000 1.012 726 A HN 0.511 nan 8.150 nan 0.000 0.500 727 K N 1.228 121.633 120.400 0.009 0.000 2.118 727 K HA 0.576 4.896 4.320 -0.001 0.000 0.264 727 K C 0.392 176.988 176.600 -0.008 0.000 1.000 727 K CA 0.608 56.889 56.287 -0.010 0.000 0.929 727 K CB 1.100 33.568 32.500 -0.055 0.000 1.021 727 K HN 1.515 nan 8.250 nan 0.000 0.463 728 G N 1.519 110.322 108.800 0.004 0.000 3.069 728 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.686 728 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.686 728 G C 0.277 175.197 174.900 0.033 0.000 1.161 728 G CA -0.197 44.910 45.100 0.010 0.000 0.804 728 G HN 0.712 nan 8.290 nan 0.000 0.608 729 K N 0.521 120.939 120.400 0.029 0.000 2.152 729 K HA -0.090 4.229 4.320 -0.001 0.000 0.206 729 K C 1.574 178.206 176.600 0.054 0.000 1.048 729 K CA 2.184 58.494 56.287 0.038 0.000 0.933 729 K CB 0.017 32.534 32.500 0.028 0.000 0.721 729 K HN 0.470 nan 8.250 nan 0.000 0.447 730 E N 0.874 121.103 120.200 0.050 0.000 2.427 730 E HA 0.044 4.393 4.350 -0.001 0.000 0.196 730 E C 0.237 176.892 176.600 0.092 0.000 1.028 730 E CA 0.588 57.024 56.400 0.059 0.000 0.864 730 E CB 0.132 29.852 29.700 0.034 0.000 0.813 730 E HN 0.331 nan 8.360 nan 0.000 0.514 731 L N 0.909 122.194 121.223 0.104 0.000 2.784 731 L HA 0.334 4.674 4.340 -0.001 0.000 0.241 731 L C 1.146 178.174 176.870 0.263 0.000 1.352 731 L CA -0.417 54.539 54.840 0.193 0.000 0.911 731 L CB 0.443 42.529 42.059 0.046 0.000 1.227 731 L HN -0.039 nan 8.230 nan 0.000 0.501 732 K N 1.815 122.352 120.400 0.227 0.000 1.987 732 K HA -0.073 4.246 4.320 -0.001 0.000 0.222 732 K C 1.644 178.306 176.600 0.104 0.000 1.029 732 K CA 1.598 57.961 56.287 0.126 0.000 1.011 732 K CB -0.207 32.335 32.500 0.070 0.000 0.769 732 K HN 0.470 nan 8.250 nan 0.000 0.444 733 G N -0.026 108.776 108.800 0.003 0.000 2.990 733 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.206 733 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.206 733 G C -0.229 174.608 174.900 -0.106 0.000 1.169 733 G CA 0.012 45.071 45.100 -0.067 0.000 0.819 733 G HN 0.235 nan 8.290 nan 0.000 0.517 734 Y N 0.207 120.529 120.300 0.037 0.000 2.298 734 Y HA 0.431 4.981 4.550 -0.001 0.000 0.329 734 Y C 0.616 176.567 175.900 0.085 0.000 1.293 734 Y CA -0.328 57.798 58.100 0.044 0.000 1.388 734 Y CB 1.041 39.514 38.460 0.022 0.000 1.309 734 Y HN -0.197 nan 8.280 nan 0.000 0.544 735 K N 2.313 122.884 120.400 0.285 0.000 2.323 735 K HA 0.303 4.622 4.320 -0.001 0.000 0.259 735 K C -1.526 175.244 176.600 0.283 0.000 0.947 735 K CA -0.652 55.780 56.287 0.241 0.000 0.819 735 K CB 1.755 34.364 32.500 0.182 0.000 1.109 735 K HN 0.521 nan 8.250 nan 0.000 0.429 736 F N 2.432 122.465 119.950 0.138 0.000 2.450 736 F HA 0.545 5.072 4.527 -0.001 0.000 0.332 736 F C -0.160 175.695 175.800 0.092 0.000 1.093 736 F CA -0.688 57.385 58.000 0.121 0.000 1.003 736 F CB 1.309 40.409 39.000 0.167 0.000 1.151 736 F HN 0.474 nan 8.300 nan 0.000 0.474 737 R N 6.708 126.639 120.500 -0.948 0.000 2.566 737 R HA 0.437 4.776 4.340 -0.001 0.000 0.271 737 R C -2.171 173.224 176.300 -1.509 0.000 1.071 737 R CA -0.723 54.730 56.100 -1.079 0.000 0.915 737 R CB 1.348 31.222 30.300 -0.710 0.000 1.228 737 R HN 0.629 nan 8.270 nan 0.000 0.449 738 I N 4.262 123.562 120.570 -2.117 0.000 2.287 738 I HA 0.162 4.331 4.170 -0.001 0.000 0.290 738 I C -0.161 175.339 176.117 -1.030 0.000 1.069 738 I CA -0.305 60.091 61.300 -1.506 0.000 1.237 738 I CB 0.994 37.945 38.000 -1.749 0.000 1.418 738 I HN 0.591 nan 8.210 nan 0.000 0.481 739 Q N 6.768 126.231 119.800 -0.563 0.000 2.296 739 Q HA 0.366 4.706 4.340 -0.001 0.000 0.257 739 Q C -0.774 175.131 176.000 -0.160 0.000 0.942 739 Q CA -0.315 55.317 55.803 -0.284 0.000 0.939 739 Q CB 0.929 29.595 28.738 -0.120 0.000 1.198 739 Q HN 0.364 nan 8.270 nan 0.000 0.429 740 I N 4.112 124.627 120.570 -0.093 0.000 2.371 740 I HA 0.132 4.301 4.170 -0.001 0.000 0.290 740 I C 0.268 176.376 176.117 -0.015 0.000 1.028 740 I CA -0.009 61.267 61.300 -0.039 0.000 1.345 740 I CB 0.608 38.608 38.000 0.000 0.000 1.407 740 I HN 0.776 nan 8.210 nan 0.000 0.501 741 N N 4.230 122.920 118.700 -0.017 0.000 2.719 741 N HA 0.033 4.773 4.740 -0.001 0.000 0.243 741 N C 1.388 176.866 175.510 -0.054 0.000 1.104 741 N CA -0.127 52.900 53.050 -0.038 0.000 0.981 741 N CB 0.581 39.047 38.487 -0.035 0.000 1.290 741 N HN 0.723 nan 8.380 nan 0.000 0.513 742 T N 0.641 115.172 114.554 -0.038 0.000 2.881 742 T HA -0.139 4.210 4.350 -0.001 0.000 0.270 742 T C 1.585 176.251 174.700 -0.057 0.000 1.068 742 T CA 0.811 62.891 62.100 -0.033 0.000 1.131 742 T CB -0.115 68.747 68.868 -0.010 0.000 0.871 742 T HN 0.427 nan 8.240 nan 0.000 0.479 743 L N 0.308 121.478 121.223 -0.089 0.000 2.341 743 L HA 0.130 4.470 4.340 -0.001 0.000 0.214 743 L C 2.153 178.928 176.870 -0.159 0.000 1.115 743 L CA 0.917 55.694 54.840 -0.105 0.000 0.820 743 L CB -0.241 41.754 42.059 -0.107 0.000 0.944 743 L HN 0.212 nan 8.230 nan 0.000 0.452 744 D N -0.863 119.397 120.400 -0.233 0.000 2.366 744 D HA -0.002 4.637 4.640 -0.001 0.000 0.205 744 D C 0.753 176.973 176.300 -0.132 0.000 1.022 744 D CA 0.143 53.971 54.000 -0.286 0.000 0.868 744 D CB 0.247 40.636 40.800 -0.685 0.000 0.953 744 D HN 0.216 nan 8.370 nan 0.000 0.514 745 C N 1.362 120.603 119.300 -0.099 0.000 2.679 745 C HA 0.043 4.502 4.460 -0.001 0.000 0.417 745 C C 1.616 176.526 174.990 -0.134 0.000 1.302 745 C CA -0.099 58.873 59.018 -0.077 0.000 1.973 745 C CB -0.159 27.555 27.740 -0.043 0.000 2.715 745 C HN 0.181 nan 8.230 nan 0.000 0.628 746 M N 3.917 123.405 119.600 -0.188 0.000 2.333 746 M HA 0.205 4.684 4.480 -0.001 0.000 0.257 746 M C 1.712 177.952 176.300 -0.100 0.000 1.078 746 M CA 1.013 56.182 55.300 -0.218 0.000 1.005 746 M CB -0.879 31.452 32.600 -0.449 0.000 1.444 746 M HN 1.187 nan 8.290 nan 0.000 0.496 747 G N 1.129 109.893 108.800 -0.059 0.000 2.179 747 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.257 747 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.257 747 G C 1.076 175.969 174.900 -0.011 0.000 1.010 747 G CA 0.580 45.665 45.100 -0.025 0.000 0.736 747 G HN 0.645 nan 8.290 nan 0.000 0.513 748 C N -1.869 117.426 119.300 -0.009 0.000 2.440 748 C HA 0.466 4.926 4.460 -0.001 0.000 0.278 748 C C 2.675 177.672 174.990 0.013 0.000 1.295 748 C CA 1.497 60.519 59.018 0.007 0.000 1.738 748 C CB -0.806 26.945 27.740 0.020 0.000 1.987 748 C HN 2.443 nan 8.230 nan 0.000 0.492 749 G N 0.937 109.746 108.800 0.016 0.000 2.175 749 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.244 749 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.244 749 G C 0.475 175.390 174.900 0.024 0.000 0.982 749 G CA 0.639 45.751 45.100 0.020 0.000 0.641 749 G HN 0.589 nan 8.290 nan 0.000 0.527 750 N N 0.019 118.734 118.700 0.024 0.000 2.104 750 N HA -0.152 4.587 4.740 -0.001 0.000 0.190 750 N C 2.699 178.227 175.510 0.029 0.000 1.024 750 N CA 2.584 55.649 53.050 0.024 0.000 0.853 750 N CB -0.489 38.009 38.487 0.018 0.000 1.008 750 N HN 0.949 nan 8.380 nan 0.000 0.424 751 C N 0.108 119.428 119.300 0.033 0.000 2.413 751 C HA 0.022 4.481 4.460 -0.001 0.000 0.278 751 C C 2.750 177.769 174.990 0.047 0.000 1.224 751 C CA 0.564 59.607 59.018 0.041 0.000 1.732 751 C CB -1.439 26.326 27.740 0.043 0.000 2.050 751 C HN 0.392 nan 8.230 nan 0.000 0.463 752 A N 1.283 124.131 122.820 0.047 0.000 1.940 752 A HA -0.234 4.085 4.320 -0.001 0.000 0.219 752 A C 1.904 179.511 177.584 0.038 0.000 1.176 752 A CA 2.498 54.564 52.037 0.049 0.000 0.631 752 A CB -1.097 17.929 19.000 0.044 0.000 0.814 752 A HN 0.698 nan 8.150 nan 0.000 0.446 753 D N -1.042 119.378 120.400 0.032 0.000 2.178 753 D HA -0.108 4.532 4.640 -0.001 0.000 0.201 753 D C 1.467 177.782 176.300 0.026 0.000 0.980 753 D CA 1.071 55.087 54.000 0.027 0.000 0.842 753 D CB -0.073 40.743 40.800 0.027 0.000 0.948 753 D HN 0.315 nan 8.370 nan 0.000 0.472 754 I N 0.165 120.751 120.570 0.028 0.000 2.852 754 I HA 0.032 4.201 4.170 -0.001 0.000 0.264 754 I C 0.599 176.730 176.117 0.023 0.000 1.179 754 I CA -0.031 61.282 61.300 0.022 0.000 1.480 754 I CB -0.399 37.615 38.000 0.022 0.000 1.111 754 I HN 0.122 nan 8.210 nan 0.000 0.441 755 C N 4.221 123.544 119.300 0.038 0.000 2.255 755 C HA -0.079 4.380 4.460 -0.001 0.000 0.401 755 C C -0.359 174.649 174.990 0.030 0.000 1.529 755 C CA -0.982 58.064 59.018 0.048 0.000 1.418 755 C CB -0.358 27.423 27.740 0.069 0.000 2.522 755 C HN 0.277 nan 8.230 nan 0.000 0.616 756 P HA -0.081 nan 4.420 nan 0.000 0.214 756 P C -1.716 175.587 177.300 0.006 0.000 1.169 756 P CA 1.400 64.503 63.100 0.004 0.000 0.908 756 P CB -1.106 30.590 31.700 -0.006 0.000 0.791 757 P HA -0.067 nan 4.420 nan 0.000 0.262 757 P C 0.405 177.707 177.300 0.004 0.000 1.182 757 P CA 0.699 63.802 63.100 0.006 0.000 0.761 757 P CB 0.683 32.388 31.700 0.008 0.000 0.795 758 K N 1.622 122.022 120.400 -0.001 0.000 2.113 758 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 758 K C 1.009 177.609 176.600 -0.001 0.000 1.047 758 K CA 1.349 57.636 56.287 -0.001 0.000 0.928 758 K CB -0.039 32.459 32.500 -0.003 0.000 0.716 758 K HN 0.618 nan 8.250 nan 0.000 0.446 759 E N 2.538 122.735 120.200 -0.005 0.000 1.924 759 E HA 0.070 4.419 4.350 -0.001 0.000 0.261 759 E C -0.775 175.820 176.600 -0.008 0.000 1.088 759 E CA -0.252 56.142 56.400 -0.010 0.000 0.909 759 E CB 0.228 29.917 29.700 -0.018 0.000 1.112 759 E HN -0.135 nan 8.360 nan 0.000 0.425 760 K N 1.685 122.085 120.400 0.002 0.000 2.547 760 K HA -0.091 4.229 4.320 -0.001 0.000 0.275 760 K C 0.817 177.421 176.600 0.007 0.000 1.001 760 K CA 0.727 57.022 56.287 0.014 0.000 1.111 760 K CB 0.320 32.832 32.500 0.020 0.000 0.832 760 K HN 0.645 nan 8.250 nan 0.000 0.485 761 A N 4.122 126.962 122.820 0.034 0.000 2.238 761 A HA 0.145 4.464 4.320 -0.001 0.000 0.210 761 A C 0.528 178.172 177.584 0.099 0.000 1.179 761 A CA 0.329 52.379 52.037 0.021 0.000 0.827 761 A CB 0.226 19.284 19.000 0.097 0.000 0.856 761 A HN 0.544 nan 8.150 nan 0.000 0.488 762 L N 0.337 121.626 121.223 0.109 0.000 2.410 762 L HA 0.568 4.908 4.340 -0.001 0.000 0.270 762 L C -1.509 175.405 176.870 0.072 0.000 0.983 762 L CA -0.742 54.175 54.840 0.129 0.000 0.822 762 L CB 2.535 44.679 42.059 0.142 0.000 1.285 762 L HN -0.092 nan 8.230 nan 0.000 0.409 763 V N 3.437 123.389 119.914 0.063 0.000 2.623 763 V HA 0.407 4.526 4.120 -0.001 0.000 0.304 763 V C 0.004 176.121 176.094 0.039 0.000 1.054 763 V CA -0.715 61.609 62.300 0.040 0.000 0.882 763 V CB 2.100 33.938 31.823 0.025 0.000 1.002 763 V HN 0.636 nan 8.190 nan 0.000 0.424 764 M N 4.718 124.337 119.600 0.032 0.000 2.238 764 M HA 0.367 4.847 4.480 -0.001 0.000 0.350 764 M C -0.180 176.134 176.300 0.023 0.000 1.321 764 M CA 0.621 55.937 55.300 0.027 0.000 1.097 764 M CB 0.099 32.711 32.600 0.021 0.000 1.713 764 M HN 0.641 nan 8.290 nan 0.000 0.455 765 Q N 2.985 122.799 119.800 0.024 0.000 2.456 765 Q HA 0.584 4.923 4.340 -0.001 0.000 0.283 765 Q C -2.527 173.484 176.000 0.019 0.000 1.084 765 Q CA -1.973 53.843 55.803 0.021 0.000 0.801 765 Q CB 1.468 30.221 28.738 0.025 0.000 1.434 765 Q HN 0.319 nan 8.270 nan 0.000 0.419 766 P HA -0.028 nan 4.420 nan 0.000 0.268 766 P C 0.835 178.147 177.300 0.019 0.000 1.204 766 P CA -0.107 63.003 63.100 0.017 0.000 0.768 766 P CB 0.484 32.194 31.700 0.017 0.000 0.842 767 L N 4.901 126.133 121.223 0.016 0.000 2.021 767 L HA -0.267 4.072 4.340 -0.001 0.000 0.215 767 L C 1.453 178.336 176.870 0.021 0.000 1.074 767 L CA 2.450 57.299 54.840 0.016 0.000 0.760 767 L CB -1.344 40.722 42.059 0.012 0.000 0.889 767 L HN 0.393 nan 8.230 nan 0.000 0.433 768 D N -2.219 118.197 120.400 0.026 0.000 2.309 768 D HA -0.193 4.447 4.640 -0.001 0.000 0.212 768 D C 1.823 178.142 176.300 0.030 0.000 0.968 768 D CA 1.348 55.367 54.000 0.032 0.000 0.882 768 D CB -0.983 39.841 40.800 0.041 0.000 0.918 768 D HN 0.582 nan 8.370 nan 0.000 0.503 769 T N -4.143 110.428 114.554 0.027 0.000 3.100 769 T HA 0.034 4.383 4.350 -0.001 0.000 0.253 769 T C 1.501 176.218 174.700 0.028 0.000 1.118 769 T CA 0.211 62.327 62.100 0.027 0.000 1.058 769 T CB 0.164 69.047 68.868 0.025 0.000 0.953 769 T HN 0.009 nan 8.240 nan 0.000 0.515 770 Q N 0.942 120.758 119.800 0.028 0.000 2.431 770 Q HA 0.210 4.550 4.340 -0.001 0.000 0.244 770 Q C 2.519 178.537 176.000 0.029 0.000 0.880 770 Q CA 0.482 56.303 55.803 0.032 0.000 0.954 770 Q CB -0.016 28.741 28.738 0.032 0.000 1.105 770 Q HN 0.741 nan 8.270 nan 0.000 0.558 771 R N 1.294 121.808 120.500 0.023 0.000 2.083 771 R HA -0.145 4.195 4.340 -0.001 0.000 0.237 771 R C 1.126 177.439 176.300 0.021 0.000 1.137 771 R CA 1.762 57.873 56.100 0.019 0.000 0.951 771 R CB -0.536 29.772 30.300 0.015 0.000 0.851 771 R HN -0.012 nan 8.270 nan 0.000 0.434 772 D N 1.271 121.685 120.400 0.022 0.000 2.133 772 D HA -0.189 4.451 4.640 -0.001 0.000 0.192 772 D C 1.975 178.290 176.300 0.025 0.000 1.001 772 D CA 2.149 56.162 54.000 0.020 0.000 0.844 772 D CB -0.232 40.580 40.800 0.019 0.000 0.944 772 D HN 0.515 nan 8.370 nan 0.000 0.447 773 A N 0.468 123.308 122.820 0.033 0.000 1.903 773 A HA -0.097 4.222 4.320 -0.001 0.000 0.213 773 A C 2.066 179.687 177.584 0.062 0.000 1.185 773 A CA 0.840 52.904 52.037 0.045 0.000 0.628 773 A CB -0.104 18.926 19.000 0.050 0.000 0.830 773 A HN 0.037 nan 8.150 nan 0.000 0.446 774 Q N -0.189 119.645 119.800 0.056 0.000 2.331 774 Q HA 0.025 4.364 4.340 -0.001 0.000 0.203 774 Q C 2.192 178.225 176.000 0.053 0.000 0.944 774 Q CA 1.012 56.854 55.803 0.065 0.000 0.892 774 Q CB -0.704 28.064 28.738 0.050 0.000 0.983 774 Q HN 0.450 nan 8.270 nan 0.000 0.482 775 V N 2.795 122.728 119.914 0.032 0.000 2.261 775 V HA -0.190 3.929 4.120 -0.001 0.000 0.246 775 V C -0.506 175.606 176.094 0.030 0.000 1.047 775 V CA 2.277 64.588 62.300 0.018 0.000 1.015 775 V CB -1.765 30.062 31.823 0.007 0.000 0.642 775 V HN 0.263 nan 8.190 nan 0.000 0.446 776 P HA -0.151 nan 4.420 nan 0.000 0.218 776 P C 1.151 178.489 177.300 0.063 0.000 1.149 776 P CA 1.593 64.713 63.100 0.033 0.000 0.817 776 P CB -0.221 31.487 31.700 0.014 0.000 0.785 777 N N -0.110 118.656 118.700 0.109 0.000 2.084 777 N HA -0.101 4.638 4.740 -0.001 0.000 0.190 777 N C 1.954 177.608 175.510 0.240 0.000 1.030 777 N CA 0.331 53.519 53.050 0.230 0.000 0.849 777 N CB -0.474 38.208 38.487 0.324 0.000 1.012 777 N HN 0.022 nan 8.380 nan 0.000 0.423 778 L N 2.046 123.357 121.223 0.147 0.000 2.042 778 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 778 L C 1.802 178.711 176.870 0.066 0.000 1.076 778 L CA 1.908 56.806 54.840 0.098 0.000 0.749 778 L CB -0.737 41.342 42.059 0.034 0.000 0.893 778 L HN 0.204 nan 8.230 nan 0.000 0.432 779 E N -0.793 119.437 120.200 0.050 0.000 2.110 779 E HA -0.275 4.074 4.350 -0.001 0.000 0.193 779 E C 1.976 178.591 176.600 0.025 0.000 0.988 779 E CA 1.327 57.744 56.400 0.028 0.000 0.804 779 E CB -0.510 29.208 29.700 0.028 0.000 0.745 779 E HN 0.641 nan 8.360 nan 0.000 0.458 780 Y N 0.869 121.106 120.300 -0.106 0.000 2.337 780 Y HA 0.012 4.561 4.550 -0.001 0.000 0.293 780 Y C 2.217 178.002 175.900 -0.191 0.000 1.123 780 Y CA 1.094 59.069 58.100 -0.208 0.000 1.201 780 Y CB -0.181 38.037 38.460 -0.403 0.000 1.011 780 Y HN -0.005 nan 8.280 nan 0.000 0.545 781 A N 0.514 123.311 122.820 -0.037 0.000 1.898 781 A HA -0.069 4.250 4.320 -0.001 0.000 0.216 781 A C 2.389 179.938 177.584 -0.060 0.000 1.181 781 A CA 1.606 53.668 52.037 0.042 0.000 0.620 781 A CB -1.445 17.704 19.000 0.247 0.000 0.819 781 A HN 0.537 nan 8.150 nan 0.000 0.442 782 A N -0.332 122.461 122.820 -0.044 0.000 2.024 782 A HA -0.178 4.142 4.320 -0.001 0.000 0.220 782 A C 2.118 179.647 177.584 -0.092 0.000 1.164 782 A CA 1.744 53.752 52.037 -0.048 0.000 0.643 782 A CB -0.385 18.598 19.000 -0.028 0.000 0.806 782 A HN 0.516 nan 8.150 nan 0.000 0.451 783 R N -0.885 119.515 120.500 -0.167 0.000 2.310 783 R HA 0.298 4.637 4.340 -0.001 0.000 0.202 783 R C -0.242 175.929 176.300 -0.215 0.000 0.933 783 R CA -0.001 55.985 56.100 -0.189 0.000 1.054 783 R CB -0.038 30.123 30.300 -0.232 0.000 0.985 783 R HN 0.478 nan 8.270 nan 0.000 0.489 784 I N 2.309 122.748 120.570 -0.218 0.000 2.371 784 I HA 0.177 4.346 4.170 -0.001 0.000 0.290 784 I C -2.019 174.046 176.117 -0.085 0.000 1.028 784 I CA -2.366 58.835 61.300 -0.165 0.000 1.345 784 I CB 1.137 39.058 38.000 -0.131 0.000 1.407 784 I HN -0.245 nan 8.210 nan 0.000 0.501 785 P HA -0.009 nan 4.420 nan 0.000 0.262 785 P C -0.577 176.699 177.300 -0.040 0.000 1.182 785 P CA -0.103 62.971 63.100 -0.043 0.000 0.761 785 P CB 0.332 32.014 31.700 -0.030 0.000 0.795 786 V N 5.574 125.468 119.914 -0.033 0.000 2.470 786 V HA 0.028 4.147 4.120 -0.001 0.000 0.276 786 V C 0.994 177.057 176.094 -0.051 0.000 1.040 786 V CA -0.061 62.222 62.300 -0.030 0.000 1.008 786 V CB 0.176 31.998 31.823 -0.002 0.000 0.990 786 V HN 0.400 nan 8.190 nan 0.000 0.477 787 K N 3.972 124.296 120.400 -0.126 0.000 2.121 787 K HA 0.094 4.413 4.320 -0.001 0.000 0.235 787 K C 1.391 177.926 176.600 -0.109 0.000 1.200 787 K CA 0.192 56.374 56.287 -0.176 0.000 1.115 787 K CB 0.049 32.316 32.500 -0.389 0.000 1.474 787 K HN 0.854 nan 8.250 nan 0.000 0.295 788 S N -0.309 115.374 115.700 -0.029 0.000 2.489 788 S HA -0.026 4.444 4.470 -0.001 0.000 0.228 788 S C 0.684 175.289 174.600 0.007 0.000 0.995 788 S CA 0.308 58.516 58.200 0.014 0.000 0.934 788 S CB 0.106 63.312 63.200 0.010 0.000 0.771 788 S HN 0.327 nan 8.310 nan 0.000 0.522 789 E N 0.351 120.542 120.200 -0.015 0.000 3.012 789 E HA 0.483 4.832 4.350 -0.001 0.000 0.228 789 E C 0.096 176.683 176.600 -0.021 0.000 1.184 789 E CA -0.158 56.239 56.400 -0.006 0.000 1.407 789 E CB 0.996 30.698 29.700 0.002 0.000 1.438 789 E HN 0.230 nan 8.360 nan 0.000 0.435 790 V N -0.146 119.745 119.914 -0.038 0.000 3.305 790 V HA 0.390 4.510 4.120 -0.001 0.000 0.247 790 V C -0.248 175.838 176.094 -0.014 0.000 1.426 790 V CA 0.262 62.519 62.300 -0.072 0.000 1.162 790 V CB 0.476 32.144 31.823 -0.258 0.000 0.961 790 V HN 0.238 nan 8.190 nan 0.000 0.449 791 L N 0.758 122.007 121.223 0.043 0.000 2.327 791 L HA 0.581 4.921 4.340 -0.001 0.000 0.258 791 L C -2.511 174.392 176.870 0.055 0.000 1.024 791 L CA -1.960 52.923 54.840 0.071 0.000 0.825 791 L CB 2.231 44.379 42.059 0.148 0.000 1.386 791 L HN 0.009 nan 8.230 nan 0.000 0.417 792 P HA 0.063 nan 4.420 nan 0.000 0.264 792 P C 0.069 177.377 177.300 0.013 0.000 1.193 792 P CA 0.085 63.197 63.100 0.019 0.000 0.763 792 P CB 0.601 32.308 31.700 0.012 0.000 0.810 793 R N 3.271 123.771 120.500 0.001 0.000 2.096 793 R HA -0.156 4.183 4.340 -0.001 0.000 0.235 793 R C 0.756 177.025 176.300 -0.051 0.000 1.127 793 R CA 1.842 57.928 56.100 -0.024 0.000 0.968 793 R CB -0.167 30.107 30.300 -0.044 0.000 0.861 793 R HN 0.529 nan 8.270 nan 0.000 0.440 794 D N -0.037 120.335 120.400 -0.046 0.000 2.370 794 D HA -0.017 4.622 4.640 -0.001 0.000 0.230 794 D C -0.257 176.031 176.300 -0.019 0.000 1.143 794 D CA -0.191 53.778 54.000 -0.052 0.000 0.834 794 D CB 0.160 40.935 40.800 -0.042 0.000 0.944 794 D HN 0.133 nan 8.370 nan 0.000 0.504 795 S N -0.970 114.722 115.700 -0.014 0.000 2.617 795 S HA 0.316 4.786 4.470 -0.001 0.000 0.283 795 S C 1.198 175.783 174.600 -0.024 0.000 1.189 795 S CA -0.968 57.220 58.200 -0.020 0.000 1.036 795 S CB 2.031 65.218 63.200 -0.022 0.000 1.014 795 S HN 0.151 nan 8.310 nan 0.000 0.522 796 L N 1.372 122.554 121.223 -0.069 0.000 1.963 796 L HA -0.188 4.152 4.340 -0.001 0.000 0.220 796 L C 2.738 179.545 176.870 -0.105 0.000 1.076 796 L CA 2.094 56.853 54.840 -0.135 0.000 0.772 796 L CB -0.481 41.433 42.059 -0.243 0.000 0.892 796 L HN 0.989 nan 8.230 nan 0.000 0.435 797 K N -0.747 119.559 120.400 -0.156 0.000 2.026 797 K HA -0.155 4.165 4.320 -0.001 0.000 0.208 797 K C 1.890 178.280 176.600 -0.350 0.000 1.048 797 K CA 1.456 57.585 56.287 -0.264 0.000 0.929 797 K CB -0.435 31.923 32.500 -0.237 0.000 0.713 797 K HN 0.537 nan 8.250 nan 0.000 0.439 798 G N 0.380 109.091 108.800 -0.147 0.000 2.422 798 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.218 798 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.218 798 G C 1.501 176.385 174.900 -0.026 0.000 1.146 798 G CA 1.178 46.260 45.100 -0.030 0.000 0.769 798 G HN 0.511 nan 8.290 nan 0.000 0.547 799 S N 0.147 115.829 115.700 -0.030 0.000 2.400 799 S HA -0.134 4.335 4.470 -0.001 0.000 0.232 799 S C 1.981 176.560 174.600 -0.035 0.000 1.025 799 S CA 1.432 59.624 58.200 -0.014 0.000 0.993 799 S CB -0.220 63.018 63.200 0.063 0.000 0.808 799 S HN 0.314 nan 8.310 nan 0.000 0.478 800 Q N -0.002 119.747 119.800 -0.086 0.000 2.444 800 Q HA 0.308 4.648 4.340 -0.001 0.000 0.206 800 Q C 0.528 176.510 176.000 -0.030 0.000 0.948 800 Q CA 0.329 56.069 55.803 -0.104 0.000 0.946 800 Q CB -0.490 28.163 28.738 -0.140 0.000 1.027 800 Q HN 0.799 nan 8.270 nan 0.000 0.513 801 F N 0.381 120.330 119.950 -0.001 0.000 2.647 801 F HA 0.162 4.689 4.527 -0.001 0.000 0.300 801 F C 0.701 176.480 175.800 -0.035 0.000 1.106 801 F CA -0.554 57.436 58.000 -0.016 0.000 1.313 801 F CB 0.866 39.851 39.000 -0.025 0.000 1.007 801 F HN -0.096 nan 8.300 nan 0.000 0.536 802 Q N 0.752 120.622 119.800 0.116 0.000 2.297 802 Q HA 0.267 4.606 4.340 -0.001 0.000 0.268 802 Q C -0.383 175.617 176.000 0.001 0.000 1.045 802 Q CA -0.535 55.288 55.803 0.033 0.000 0.861 802 Q CB 1.625 30.351 28.738 -0.020 0.000 1.344 802 Q HN 0.301 nan 8.270 nan 0.000 0.452 803 E N 3.259 123.448 120.200 -0.019 0.000 2.257 803 E HA 0.166 4.515 4.350 -0.001 0.000 0.278 803 E C -2.080 174.478 176.600 -0.070 0.000 1.049 803 E CA -1.517 54.860 56.400 -0.039 0.000 0.876 803 E CB 0.614 30.293 29.700 -0.034 0.000 1.035 803 E HN 0.174 nan 8.360 nan 0.000 0.419 804 P HA 0.075 nan 4.420 nan 0.000 0.281 804 P C -0.357 176.856 177.300 -0.145 0.000 1.252 804 P CA -0.293 62.722 63.100 -0.140 0.000 0.778 804 P CB 0.900 32.493 31.700 -0.179 0.000 0.895 805 L N 3.304 124.461 121.223 -0.110 0.000 2.791 805 L HA 0.355 4.695 4.340 -0.001 0.000 0.239 805 L C 0.644 177.450 176.870 -0.106 0.000 1.203 805 L CA 0.611 55.410 54.840 -0.068 0.000 1.002 805 L CB -0.350 41.722 42.059 0.021 0.000 1.295 805 L HN 0.434 nan 8.230 nan 0.000 0.504 806 M N 0.942 120.387 119.600 -0.257 0.000 2.215 806 M HA 0.387 4.867 4.480 -0.001 0.000 0.251 806 M C -1.657 174.364 176.300 -0.464 0.000 0.987 806 M CA 0.097 55.127 55.300 -0.449 0.000 1.025 806 M CB 1.469 33.733 32.600 -0.561 0.000 2.064 806 M HN 0.167 nan 8.290 nan 0.000 0.473 807 E N 4.105 123.982 120.200 -0.539 0.000 2.367 807 E HA 0.554 4.903 4.350 -0.001 0.000 0.273 807 E C -0.823 175.402 176.600 -0.624 0.000 0.903 807 E CA -0.865 55.040 56.400 -0.825 0.000 0.764 807 E CB 1.867 30.644 29.700 -1.538 0.000 1.252 807 E HN 0.670 nan 8.360 nan 0.000 0.446 808 F N 0.080 120.001 119.950 -0.048 0.000 3.027 808 F HA -0.275 4.251 4.527 -0.001 0.000 0.276 808 F C 0.803 176.650 175.800 0.078 0.000 0.967 808 F CA 0.171 58.203 58.000 0.054 0.000 0.929 808 F CB -1.816 37.197 39.000 0.022 0.000 0.873 808 F HN 0.386 nan 8.300 nan 0.000 0.787 809 S N 0.571 116.335 115.700 0.107 0.000 2.634 809 S HA 0.553 5.023 4.470 -0.001 0.000 0.261 809 S C 1.250 175.977 174.600 0.211 0.000 1.271 809 S CA -0.153 58.109 58.200 0.103 0.000 0.985 809 S CB 1.709 64.893 63.200 -0.026 0.000 0.968 809 S HN 0.495 nan 8.310 nan 0.000 0.568 810 G N -0.291 108.655 108.800 0.244 0.000 3.327 810 G HA2 0.480 4.439 3.960 -0.001 0.000 0.240 810 G HA3 0.480 4.439 3.960 -0.001 0.000 0.240 810 G C 0.433 175.488 174.900 0.259 0.000 1.222 810 G CA -0.004 45.248 45.100 0.253 0.000 0.871 810 G HN 1.089 nan 8.290 nan 0.000 0.525 811 A N -0.542 122.381 122.820 0.172 0.000 2.366 811 A HA 0.462 4.782 4.320 -0.001 0.000 0.249 811 A C 0.912 178.605 177.584 0.181 0.000 1.084 811 A CA -0.346 51.722 52.037 0.051 0.000 0.794 811 A CB 0.123 18.820 19.000 -0.506 0.000 1.034 811 A HN 0.371 nan 8.150 nan 0.000 0.491 812 C N 0.564 119.941 119.300 0.128 0.000 2.745 812 C HA 0.305 4.764 4.460 -0.001 0.000 0.387 812 C C 1.275 176.365 174.990 0.167 0.000 1.312 812 C CA -0.415 58.678 59.018 0.124 0.000 2.204 812 C CB -0.307 27.482 27.740 0.081 0.000 2.686 812 C HN 0.805 nan 8.230 nan 0.000 0.705 813 S N 0.962 116.719 115.700 0.095 0.000 2.516 813 S HA 0.421 4.891 4.470 -0.001 0.000 0.282 813 S C 1.150 175.794 174.600 0.074 0.000 1.286 813 S CA 0.665 58.903 58.200 0.062 0.000 1.066 813 S CB 0.382 63.577 63.200 -0.008 0.000 0.884 813 S HN 1.560 nan 8.310 nan 0.000 0.491 814 G N 1.417 110.273 108.800 0.093 0.000 2.148 814 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.254 814 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.254 814 G C 0.444 175.352 174.900 0.015 0.000 0.981 814 G CA -0.098 45.028 45.100 0.044 0.000 0.670 814 G HN 0.976 nan 8.290 nan 0.000 0.528 815 C N 1.180 120.483 119.300 0.005 0.000 2.502 815 C HA 0.446 4.905 4.460 -0.001 0.000 0.404 815 C C 2.196 177.147 174.990 -0.065 0.000 1.409 815 C CA 1.145 60.134 59.018 -0.047 0.000 1.648 815 C CB -0.098 27.557 27.740 -0.143 0.000 2.571 815 C HN 1.105 nan 8.230 nan 0.000 0.601 816 G N 3.438 112.225 108.800 -0.021 0.000 2.920 816 G HA2 0.024 3.983 3.960 -0.001 0.000 0.208 816 G HA3 0.024 3.983 3.960 -0.001 0.000 0.208 816 G C 1.259 176.228 174.900 0.116 0.000 1.159 816 G CA 0.326 45.435 45.100 0.015 0.000 0.784 816 G HN 0.920 nan 8.290 nan 0.000 0.535 817 E N 0.405 120.653 120.200 0.079 0.000 2.099 817 E HA -0.078 4.272 4.350 -0.001 0.000 0.191 817 E C 2.793 179.460 176.600 0.112 0.000 0.962 817 E CA 1.223 57.745 56.400 0.204 0.000 0.826 817 E CB -0.274 29.615 29.700 0.315 0.000 0.788 817 E HN 0.447 nan 8.360 nan 0.000 0.461 818 T N 0.082 114.477 114.554 -0.265 0.000 2.803 818 T HA -0.103 4.246 4.350 -0.001 0.000 0.269 818 T C -1.099 173.422 174.700 -0.297 0.000 1.052 818 T CA 0.813 62.614 62.100 -0.497 0.000 1.136 818 T CB -1.400 66.931 68.868 -0.895 0.000 0.864 818 T HN -0.018 nan 8.240 nan 0.000 0.467 819 P HA -0.014 nan 4.420 nan 0.000 0.216 819 P C 0.910 178.050 177.300 -0.267 0.000 1.153 819 P CA 0.956 63.877 63.100 -0.299 0.000 0.848 819 P CB -0.231 31.258 31.700 -0.352 0.000 0.787 820 Y N -0.296 119.933 120.300 -0.118 0.000 2.114 820 Y HA -0.204 4.346 4.550 -0.001 0.000 0.284 820 Y C 2.390 178.241 175.900 -0.082 0.000 1.143 820 Y CA 1.266 59.333 58.100 -0.055 0.000 1.135 820 Y CB -1.536 37.001 38.460 0.129 0.000 0.980 820 Y HN -0.181 nan 8.280 nan 0.000 0.499 821 V N -0.526 119.434 119.914 0.077 0.000 2.427 821 V HA -0.255 3.865 4.120 -0.001 0.000 0.248 821 V C 2.253 178.332 176.094 -0.024 0.000 1.051 821 V CA 2.049 64.347 62.300 -0.003 0.000 1.048 821 V CB -0.914 31.036 31.823 0.211 0.000 0.666 821 V HN 0.340 nan 8.190 nan 0.000 0.456 822 R N 1.324 121.752 120.500 -0.121 0.000 2.083 822 R HA -0.130 4.210 4.340 -0.001 0.000 0.237 822 R C 2.335 178.518 176.300 -0.196 0.000 1.137 822 R CA 2.471 58.458 56.100 -0.189 0.000 0.951 822 R CB -0.557 29.585 30.300 -0.263 0.000 0.851 822 R HN 0.661 nan 8.270 nan 0.000 0.434 823 V N -1.389 118.384 119.914 -0.235 0.000 2.515 823 V HA -0.118 4.001 4.120 -0.001 0.000 0.250 823 V C 2.211 178.162 176.094 -0.237 0.000 1.058 823 V CA 1.481 63.604 62.300 -0.296 0.000 1.064 823 V CB -0.599 30.965 31.823 -0.431 0.000 0.675 823 V HN 0.270 nan 8.190 nan 0.000 0.461 824 I N 2.402 122.866 120.570 -0.178 0.000 2.226 824 I HA -0.225 3.945 4.170 -0.001 0.000 0.245 824 I C 2.944 178.958 176.117 -0.171 0.000 1.100 824 I CA 2.203 63.371 61.300 -0.219 0.000 1.374 824 I CB -0.669 37.151 38.000 -0.300 0.000 1.057 824 I HN 0.587 nan 8.210 nan 0.000 0.413 825 T N -1.858 112.643 114.554 -0.089 0.000 2.915 825 T HA -0.210 4.140 4.350 -0.001 0.000 0.269 825 T C 1.708 176.344 174.700 -0.107 0.000 1.071 825 T CA 1.005 63.082 62.100 -0.039 0.000 1.132 825 T CB -0.372 68.508 68.868 0.020 0.000 0.878 825 T HN 0.408 nan 8.240 nan 0.000 0.479 826 Q N -0.006 119.693 119.800 -0.168 0.000 2.364 826 Q HA 0.128 4.468 4.340 -0.001 0.000 0.207 826 Q C 1.725 177.580 176.000 -0.240 0.000 0.970 826 Q CA 0.762 56.461 55.803 -0.173 0.000 0.888 826 Q CB -0.132 28.500 28.738 -0.176 0.000 0.951 826 Q HN 0.417 nan 8.270 nan 0.000 0.469 827 L N -2.321 118.654 121.223 -0.413 0.000 2.388 827 L HA 0.097 4.436 4.340 -0.001 0.000 0.209 827 L C 0.830 177.214 176.870 -0.810 0.000 1.061 827 L CA 1.242 55.637 54.840 -0.741 0.000 0.834 827 L CB 0.415 41.731 42.059 -1.238 0.000 1.029 827 L HN 0.130 nan 8.230 nan 0.000 0.473 828 F N -2.604 117.326 119.950 -0.034 0.000 2.856 828 F HA 0.346 4.872 4.527 -0.001 0.000 0.338 828 F C 2.063 177.865 175.800 0.005 0.000 1.100 828 F CA 0.166 58.177 58.000 0.019 0.000 1.150 828 F CB -0.680 38.365 39.000 0.076 0.000 1.101 828 F HN -0.082 nan 8.300 nan 0.000 0.548 829 G N 1.639 110.493 108.800 0.090 0.000 2.606 829 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.221 829 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.221 829 G C 1.643 176.585 174.900 0.069 0.000 1.152 829 G CA 1.699 46.842 45.100 0.072 0.000 0.765 829 G HN 0.442 nan 8.290 nan 0.000 0.595 830 E N 1.386 121.623 120.200 0.062 0.000 2.472 830 E HA -0.155 4.195 4.350 -0.001 0.000 0.200 830 E C 1.833 178.466 176.600 0.055 0.000 1.046 830 E CA 1.003 57.431 56.400 0.047 0.000 0.871 830 E CB -0.230 29.495 29.700 0.042 0.000 0.806 830 E HN 0.738 nan 8.360 nan 0.000 0.533 831 R N 0.507 121.069 120.500 0.102 0.000 2.592 831 R HA 0.318 4.657 4.340 -0.001 0.000 0.439 831 R C 0.621 177.010 176.300 0.148 0.000 0.995 831 R CA -0.314 55.852 56.100 0.111 0.000 1.141 831 R CB -0.288 30.108 30.300 0.161 0.000 1.495 831 R HN 0.105 nan 8.270 nan 0.000 0.579 832 M N -0.531 119.140 119.600 0.119 0.000 2.478 832 M HA 0.563 5.042 4.480 -0.001 0.000 0.327 832 M C -1.475 174.856 176.300 0.052 0.000 1.187 832 M CA -0.607 54.809 55.300 0.194 0.000 1.022 832 M CB 1.357 34.078 32.600 0.201 0.000 1.629 832 M HN -0.185 nan 8.290 nan 0.000 0.461 833 F N 1.788 121.772 119.950 0.057 0.000 2.480 833 F HA 0.664 5.191 4.527 -0.001 0.000 0.329 833 F C -0.430 175.298 175.800 -0.121 0.000 1.091 833 F CA -0.578 57.392 58.000 -0.050 0.000 0.972 833 F CB 1.915 40.867 39.000 -0.080 0.000 1.150 833 F HN 0.472 nan 8.300 nan 0.000 0.467 834 I N 2.928 123.443 120.570 -0.092 0.000 2.439 834 I HA 0.456 4.626 4.170 -0.001 0.000 0.285 834 I C -0.711 175.118 176.117 -0.479 0.000 1.021 834 I CA -0.772 60.297 61.300 -0.384 0.000 1.091 834 I CB 1.660 39.296 38.000 -0.607 0.000 1.242 834 I HN 0.639 nan 8.210 nan 0.000 0.439 835 A N 6.109 128.711 122.820 -0.363 0.000 2.280 835 A HA 0.431 4.750 4.320 -0.001 0.000 0.320 835 A C -0.474 176.918 177.584 -0.319 0.000 1.366 835 A CA -0.486 51.392 52.037 -0.265 0.000 0.938 835 A CB 0.195 19.104 19.000 -0.151 0.000 1.157 835 A HN 0.698 nan 8.150 nan 0.000 0.536 836 N N 2.051 120.443 118.700 -0.513 0.000 2.424 836 N HA 0.516 5.255 4.740 -0.001 0.000 0.271 836 N C -0.023 175.290 175.510 -0.328 0.000 0.985 836 N CA -0.010 52.780 53.050 -0.434 0.000 0.921 836 N CB 1.817 39.929 38.487 -0.625 0.000 1.149 836 N HN 0.698 nan 8.380 nan 0.000 0.492 837 A N 2.498 125.110 122.820 -0.346 0.000 2.386 837 A HA 0.293 4.613 4.320 -0.001 0.000 0.248 837 A C 0.429 178.008 177.584 -0.009 0.000 1.082 837 A CA -0.060 51.804 52.037 -0.288 0.000 0.789 837 A CB 0.008 18.607 19.000 -0.669 0.000 1.025 837 A HN 0.634 nan 8.150 nan 0.000 0.490 838 T N 0.941 115.586 114.554 0.152 0.000 2.930 838 T HA 0.535 4.884 4.350 -0.001 0.000 0.306 838 T C 0.716 175.438 174.700 0.037 0.000 1.045 838 T CA 0.875 63.023 62.100 0.080 0.000 1.134 838 T CB 0.767 69.662 68.868 0.045 0.000 0.961 838 T HN 1.777 nan 8.240 nan 0.000 0.545 839 G N -0.037 108.741 108.800 -0.037 0.000 2.352 839 G HA2 0.089 4.048 3.960 -0.001 0.000 0.283 839 G HA3 0.089 4.048 3.960 -0.001 0.000 0.283 839 G C 0.795 175.677 174.900 -0.029 0.000 1.308 839 G CA -0.251 44.830 45.100 -0.031 0.000 0.892 839 G HN 0.684 nan 8.290 nan 0.000 0.504 840 C N 0.528 119.840 119.300 0.020 0.000 2.401 840 C HA -0.051 4.409 4.460 -0.001 0.000 0.276 840 C C 3.416 178.213 174.990 -0.321 0.000 1.233 840 C CA 2.772 61.810 59.018 0.033 0.000 1.753 840 C CB -1.314 26.557 27.740 0.217 0.000 2.029 840 C HN 1.078 nan 8.230 nan 0.000 0.478 841 S N 0.961 116.445 115.700 -0.359 0.000 2.442 841 S HA -0.141 4.328 4.470 -0.001 0.000 0.236 841 S C 1.672 175.815 174.600 -0.761 0.000 1.007 841 S CA 1.682 59.294 58.200 -0.980 0.000 0.965 841 S CB -0.594 62.484 63.200 -0.203 0.000 0.773 841 S HN 0.800 nan 8.310 nan 0.000 0.504 842 S N 0.911 116.475 115.700 -0.228 0.000 2.478 842 S HA 0.204 4.674 4.470 -0.001 0.000 0.222 842 S C 1.703 176.279 174.600 -0.039 0.000 1.008 842 S CA 0.003 58.261 58.200 0.097 0.000 0.928 842 S CB -0.393 62.906 63.200 0.165 0.000 0.781 842 S HN 0.373 nan 8.310 nan 0.000 0.518 843 I N 2.247 122.738 120.570 -0.131 0.000 2.235 843 I HA 0.030 4.199 4.170 -0.001 0.000 0.241 843 I C 2.613 178.749 176.117 0.033 0.000 1.085 843 I CA 0.801 62.082 61.300 -0.032 0.000 1.378 843 I CB -1.728 36.282 38.000 0.017 0.000 1.076 843 I HN 0.650 nan 8.210 nan 0.000 0.415 844 W N 1.136 122.484 121.300 0.079 0.000 2.584 844 W HA 0.153 4.812 4.660 -0.001 0.000 0.264 844 W C 1.783 178.309 176.519 0.010 0.000 1.264 844 W CA 0.685 58.058 57.345 0.046 0.000 1.306 844 W CB -1.301 28.181 29.460 0.037 0.000 1.110 844 W HN 0.109 nan 8.180 nan 0.000 0.606 845 G N 1.169 109.884 108.800 -0.143 0.000 2.430 845 G HA2 0.162 4.121 3.960 -0.001 0.000 0.216 845 G HA3 0.162 4.121 3.960 -0.001 0.000 0.216 845 G C 1.029 175.699 174.900 -0.382 0.000 1.146 845 G CA 1.061 46.053 45.100 -0.179 0.000 0.793 845 G HN 0.324 nan 8.290 nan 0.000 0.537 846 A N -0.163 122.456 122.820 -0.335 0.000 3.165 846 A HA 0.591 4.910 4.320 -0.001 0.000 0.212 846 A C 0.083 177.574 177.584 -0.156 0.000 0.935 846 A CA -0.260 51.570 52.037 -0.344 0.000 1.100 846 A CB 0.115 18.735 19.000 -0.633 0.000 1.260 846 A HN 0.032 nan 8.150 nan 0.000 0.532 847 S N 1.877 117.533 115.700 -0.073 0.000 2.422 847 S HA 0.512 4.982 4.470 -0.001 0.000 0.283 847 S C 0.849 175.398 174.600 -0.085 0.000 1.163 847 S CA 0.141 58.317 58.200 -0.041 0.000 1.054 847 S CB 0.702 63.921 63.200 0.033 0.000 0.967 847 S HN 1.098 nan 8.310 nan 0.000 0.499 848 A N 5.488 128.195 122.820 -0.187 0.000 2.561 848 A HA 0.256 4.576 4.320 -0.001 0.000 0.234 848 A C -0.963 176.589 177.584 -0.054 0.000 1.055 848 A CA -0.668 51.190 52.037 -0.299 0.000 0.756 848 A CB -0.083 18.674 19.000 -0.404 0.000 0.986 848 A HN 0.633 nan 8.150 nan 0.000 0.505 849 P HA 0.101 nan 4.420 nan 0.000 0.266 849 P C 0.111 177.518 177.300 0.179 0.000 1.381 849 P CA 0.053 63.222 63.100 0.115 0.000 0.940 849 P CB 0.293 32.165 31.700 0.286 0.000 1.435 850 S N 1.423 117.194 115.700 0.118 0.000 2.416 850 S HA 0.432 4.902 4.470 -0.001 0.000 0.287 850 S C 0.133 174.802 174.600 0.115 0.000 1.139 850 S CA -0.433 57.870 58.200 0.173 0.000 1.058 850 S CB -0.376 62.928 63.200 0.173 0.000 0.967 850 S HN -0.095 nan 8.310 nan 0.000 0.495 851 M N 8.336 128.035 119.600 0.166 0.000 2.023 851 M HA 0.318 4.798 4.480 -0.001 0.000 0.325 851 M C -1.860 174.502 176.300 0.103 0.000 0.963 851 M CA -2.685 52.677 55.300 0.104 0.000 0.928 851 M CB 1.199 33.888 32.600 0.149 0.000 1.429 851 M HN 0.402 nan 8.290 nan 0.000 0.404 852 P HA -0.100 nan 4.420 nan 0.000 0.220 852 P C 0.035 177.251 177.300 -0.139 0.000 1.152 852 P CA 1.011 64.079 63.100 -0.054 0.000 0.812 852 P CB 0.096 31.745 31.700 -0.084 0.000 0.792 853 Y N 2.042 122.301 120.300 -0.069 0.000 2.511 853 Y HA 0.085 4.634 4.550 -0.001 0.000 0.332 853 Y C 1.602 177.476 175.900 -0.043 0.000 1.177 853 Y CA 0.443 58.509 58.100 -0.057 0.000 1.422 853 Y CB 0.331 38.748 38.460 -0.072 0.000 1.271 853 Y HN 0.053 nan 8.280 nan 0.000 0.550 854 K N -0.591 119.861 120.400 0.087 0.000 2.469 854 K HA 0.723 5.042 4.320 -0.001 0.000 0.268 854 K C -0.984 175.638 176.600 0.037 0.000 1.027 854 K CA -1.075 55.237 56.287 0.041 0.000 0.893 854 K CB 1.462 33.945 32.500 -0.029 0.000 1.460 854 K HN 0.509 nan 8.250 nan 0.000 0.449 855 T N -1.064 113.503 114.554 0.021 0.000 2.927 855 T HA 0.305 4.655 4.350 -0.001 0.000 0.281 855 T C 0.208 174.907 174.700 -0.002 0.000 0.998 855 T CA -0.747 61.361 62.100 0.013 0.000 1.019 855 T CB 0.649 69.524 68.868 0.012 0.000 1.061 855 T HN 0.747 nan 8.240 nan 0.000 0.518 856 N N 0.381 119.080 118.700 -0.002 0.000 2.431 856 N HA 0.179 4.918 4.740 -0.001 0.000 0.289 856 N C 1.319 176.826 175.510 -0.005 0.000 1.277 856 N CA -1.047 51.998 53.050 -0.008 0.000 0.972 856 N CB 0.240 38.724 38.487 -0.005 0.000 1.143 856 N HN 0.809 nan 8.380 nan 0.000 0.578 857 R N -1.262 119.234 120.500 -0.007 0.000 2.241 857 R HA -0.005 4.335 4.340 -0.001 0.000 0.224 857 R C 0.289 176.588 176.300 -0.000 0.000 1.101 857 R CA 1.009 57.106 56.100 -0.005 0.000 0.995 857 R CB -0.675 29.621 30.300 -0.008 0.000 0.870 857 R HN 0.386 nan 8.270 nan 0.000 0.463 858 L N 0.331 121.554 121.223 0.001 0.000 2.607 858 L HA 0.357 4.697 4.340 -0.001 0.000 0.228 858 L C 1.263 178.133 176.870 0.001 0.000 1.123 858 L CA 0.968 55.809 54.840 0.003 0.000 0.890 858 L CB 0.549 42.611 42.059 0.006 0.000 1.103 858 L HN 0.510 nan 8.230 nan 0.000 0.468 859 G N -0.880 107.921 108.800 0.001 0.000 2.159 859 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.256 859 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.256 859 G C 0.353 175.249 174.900 -0.005 0.000 0.977 859 G CA -0.072 45.028 45.100 -0.000 0.000 0.652 859 G HN 0.411 nan 8.290 nan 0.000 0.531 860 Q N -0.348 119.450 119.800 -0.003 0.000 2.230 860 Q HA 0.636 4.975 4.340 -0.001 0.000 0.248 860 Q C 0.494 176.493 176.000 -0.002 0.000 0.915 860 Q CA 0.222 56.020 55.803 -0.007 0.000 0.900 860 Q CB 1.914 30.653 28.738 0.002 0.000 1.229 860 Q HN 0.849 nan 8.270 nan 0.000 0.439 861 G N 1.304 110.097 108.800 -0.012 0.000 2.451 861 G HA2 0.365 4.325 3.960 -0.001 0.000 0.292 861 G HA3 0.365 4.325 3.960 -0.001 0.000 0.292 861 G C -3.075 171.817 174.900 -0.012 0.000 1.427 861 G CA -1.059 44.046 45.100 0.009 0.000 0.792 861 G HN 0.297 nan 8.290 nan 0.000 0.498 862 P HA 0.380 nan 4.420 nan 0.000 0.262 862 P C -0.044 177.215 177.300 -0.068 0.000 1.199 862 P CA 0.277 63.371 63.100 -0.011 0.000 0.763 862 P CB 0.977 32.721 31.700 0.075 0.000 0.790 863 A N 4.319 127.032 122.820 -0.179 0.000 2.437 863 A HA 0.222 4.542 4.320 -0.001 0.000 0.303 863 A C -0.780 176.767 177.584 -0.062 0.000 1.324 863 A CA -0.389 51.538 52.037 -0.183 0.000 0.983 863 A CB -0.600 18.102 19.000 -0.498 0.000 1.142 863 A HN 0.616 nan 8.150 nan 0.000 0.541 864 W N 2.707 123.881 121.300 -0.209 0.000 2.469 864 W HA 0.582 5.241 4.660 -0.001 0.000 0.320 864 W C 0.282 176.755 176.519 -0.077 0.000 1.086 864 W CA 0.305 57.506 57.345 -0.239 0.000 1.211 864 W CB 1.766 30.961 29.460 -0.442 0.000 1.298 864 W HN 0.847 nan 8.180 nan 0.000 0.525 865 G N 3.654 112.189 108.800 -0.442 0.000 2.746 865 G HA2 0.287 4.246 3.960 -0.001 0.000 0.297 865 G HA3 0.287 4.246 3.960 -0.001 0.000 0.297 865 G C -2.189 172.353 174.900 -0.598 0.000 1.426 865 G CA -0.983 43.989 45.100 -0.213 0.000 0.989 865 G HN 0.439 nan 8.290 nan 0.000 0.520 866 N N 0.736 119.206 118.700 -0.382 0.000 2.479 866 N HA 0.474 5.214 4.740 -0.001 0.000 0.261 866 N C 0.697 176.005 175.510 -0.338 0.000 0.979 866 N CA -0.152 52.671 53.050 -0.377 0.000 0.930 866 N CB 2.316 40.718 38.487 -0.141 0.000 1.172 866 N HN 0.331 nan 8.380 nan 0.000 0.499 867 S N 3.421 118.742 115.700 -0.632 0.000 2.291 867 S HA 0.469 4.939 4.470 -0.001 0.000 0.185 867 S C 0.301 174.713 174.600 -0.314 0.000 0.996 867 S CA 0.368 58.136 58.200 -0.720 0.000 0.997 867 S CB -0.157 62.285 63.200 -1.262 0.000 0.899 867 S HN 0.492 nan 8.310 nan 0.000 0.493 868 L N -1.037 120.050 121.223 -0.227 0.000 2.194 868 L HA 0.493 4.833 4.340 -0.001 0.000 0.248 868 L C 0.455 177.380 176.870 0.091 0.000 1.071 868 L CA -0.722 54.095 54.840 -0.039 0.000 0.901 868 L CB 0.695 42.746 42.059 -0.013 0.000 1.497 868 L HN 0.360 nan 8.230 nan 0.000 0.442 869 F N 1.362 121.320 119.950 0.013 0.000 2.187 869 F HA -0.059 4.468 4.527 -0.001 0.000 0.295 869 F C 2.260 178.187 175.800 0.211 0.000 1.091 869 F CA 1.526 59.586 58.000 0.100 0.000 1.308 869 F CB -0.034 39.062 39.000 0.160 0.000 1.030 869 F HN 0.637 nan 8.300 nan 0.000 0.487 870 E N 0.100 120.361 120.200 0.101 0.000 2.482 870 E HA -0.119 4.231 4.350 -0.001 0.000 0.196 870 E C 0.323 176.991 176.600 0.113 0.000 1.047 870 E CA 1.136 57.544 56.400 0.014 0.000 0.869 870 E CB -0.733 28.957 29.700 -0.016 0.000 0.836 870 E HN 0.585 nan 8.360 nan 0.000 0.520 871 D N -0.011 120.454 120.400 0.109 0.000 2.501 871 D HA 0.265 4.905 4.640 -0.001 0.000 0.224 871 D C 1.360 177.753 176.300 0.155 0.000 1.202 871 D CA 0.316 54.387 54.000 0.119 0.000 0.829 871 D CB 0.409 41.236 40.800 0.043 0.000 1.023 871 D HN 0.094 nan 8.370 nan 0.000 0.499 872 A N 1.241 124.128 122.820 0.112 0.000 1.892 872 A HA -0.063 4.257 4.320 -0.001 0.000 0.218 872 A C 2.403 180.084 177.584 0.162 0.000 1.188 872 A CA 2.510 54.526 52.037 -0.037 0.000 0.631 872 A CB -0.983 17.604 19.000 -0.689 0.000 0.822 872 A HN 0.406 nan 8.150 nan 0.000 0.447 873 A N -0.370 122.690 122.820 0.399 0.000 1.877 873 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 873 A C 1.879 179.610 177.584 0.244 0.000 1.186 873 A CA 1.983 54.236 52.037 0.360 0.000 0.620 873 A CB -0.601 18.634 19.000 0.392 0.000 0.822 873 A HN 0.559 nan 8.150 nan 0.000 0.443 874 E N -1.441 118.888 120.200 0.215 0.000 2.110 874 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 874 E C 1.801 178.564 176.600 0.272 0.000 0.988 874 E CA 1.357 57.881 56.400 0.208 0.000 0.804 874 E CB -0.438 29.340 29.700 0.131 0.000 0.745 874 E HN 0.732 nan 8.360 nan 0.000 0.458 875 Y N 1.015 121.361 120.300 0.076 0.000 2.145 875 Y HA -0.126 4.423 4.550 -0.001 0.000 0.286 875 Y C 2.331 178.238 175.900 0.012 0.000 1.145 875 Y CA 1.775 59.888 58.100 0.022 0.000 1.148 875 Y CB -0.819 37.620 38.460 -0.035 0.000 0.981 875 Y HN 0.046 nan 8.280 nan 0.000 0.507 876 G N -0.866 107.939 108.800 0.007 0.000 2.422 876 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.218 876 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.218 876 G C 1.696 176.564 174.900 -0.053 0.000 1.146 876 G CA 0.735 45.767 45.100 -0.112 0.000 0.769 876 G HN 0.469 nan 8.290 nan 0.000 0.547 877 F N 2.495 122.401 119.950 -0.073 0.000 2.126 877 F HA -0.018 4.508 4.527 -0.001 0.000 0.299 877 F C 2.554 178.297 175.800 -0.095 0.000 1.096 877 F CA 1.512 59.472 58.000 -0.066 0.000 1.255 877 F CB -0.461 38.535 39.000 -0.007 0.000 0.997 877 F HN 0.118 nan 8.300 nan 0.000 0.479 878 G N -0.115 108.657 108.800 -0.046 0.000 2.408 878 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.217 878 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.217 878 G C 1.672 176.421 174.900 -0.252 0.000 1.150 878 G CA 0.881 45.897 45.100 -0.139 0.000 0.776 878 G HN 0.383 nan 8.290 nan 0.000 0.542 879 M N 0.862 120.267 119.600 -0.325 0.000 2.117 879 M HA -0.077 4.402 4.480 -0.001 0.000 0.262 879 M C 2.477 178.483 176.300 -0.488 0.000 1.065 879 M CA 1.376 56.398 55.300 -0.463 0.000 1.114 879 M CB -0.430 31.814 32.600 -0.593 0.000 1.361 879 M HN 0.370 nan 8.290 nan 0.000 0.408 880 N N 1.030 119.478 118.700 -0.420 0.000 2.120 880 N HA -0.164 4.575 4.740 -0.001 0.000 0.188 880 N C 1.649 176.964 175.510 -0.325 0.000 1.024 880 N CA 1.492 54.320 53.050 -0.370 0.000 0.852 880 N CB -0.101 38.178 38.487 -0.347 0.000 1.003 880 N HN 0.381 nan 8.380 nan 0.000 0.424 881 M N 0.381 119.731 119.600 -0.416 0.000 2.117 881 M HA -0.118 4.362 4.480 -0.001 0.000 0.262 881 M C 2.600 178.833 176.300 -0.112 0.000 1.065 881 M CA 1.492 56.614 55.300 -0.297 0.000 1.114 881 M CB -0.356 32.038 32.600 -0.343 0.000 1.361 881 M HN 0.184 nan 8.290 nan 0.000 0.408 882 S N 0.276 115.888 115.700 -0.146 0.000 2.370 882 S HA -0.155 4.315 4.470 -0.001 0.000 0.226 882 S C 1.980 176.545 174.600 -0.058 0.000 1.033 882 S CA 1.217 59.365 58.200 -0.086 0.000 1.011 882 S CB -0.018 63.117 63.200 -0.108 0.000 0.852 882 S HN 0.301 nan 8.310 nan 0.000 0.457 883 M N 0.176 119.707 119.600 -0.114 0.000 2.117 883 M HA 0.019 4.498 4.480 -0.001 0.000 0.262 883 M C 1.958 178.261 176.300 0.005 0.000 1.065 883 M CA 1.224 56.487 55.300 -0.061 0.000 1.114 883 M CB -1.587 30.935 32.600 -0.129 0.000 1.361 883 M HN 0.518 nan 8.290 nan 0.000 0.408 884 F N 1.135 121.017 119.950 -0.113 0.000 2.075 884 F HA -0.164 4.363 4.527 -0.001 0.000 0.297 884 F C 2.365 178.146 175.800 -0.032 0.000 1.113 884 F CA 1.885 59.838 58.000 -0.078 0.000 1.218 884 F CB -0.414 38.512 39.000 -0.123 0.000 0.984 884 F HN 0.129 nan 8.300 nan 0.000 0.472 885 A N 0.644 123.510 122.820 0.076 0.000 1.877 885 A HA -0.193 4.127 4.320 -0.001 0.000 0.216 885 A C 2.316 179.892 177.584 -0.012 0.000 1.186 885 A CA 1.885 53.933 52.037 0.017 0.000 0.620 885 A CB -0.744 18.292 19.000 0.060 0.000 0.822 885 A HN 0.475 nan 8.150 nan 0.000 0.443 886 R N -0.839 119.672 120.500 0.018 0.000 2.092 886 R HA -0.009 4.330 4.340 -0.001 0.000 0.231 886 R C 2.295 178.626 176.300 0.051 0.000 1.119 886 R CA 1.281 57.417 56.100 0.060 0.000 0.970 886 R CB -0.234 30.094 30.300 0.047 0.000 0.864 886 R HN 0.463 nan 8.270 nan 0.000 0.440 887 R N -0.359 120.151 120.500 0.018 0.000 2.193 887 R HA 0.029 4.368 4.340 -0.001 0.000 0.213 887 R C 1.770 178.096 176.300 0.044 0.000 1.055 887 R CA 1.060 57.210 56.100 0.084 0.000 0.995 887 R CB 0.011 30.378 30.300 0.113 0.000 0.893 887 R HN 0.134 nan 8.270 nan 0.000 0.459 888 T N -0.351 114.123 114.554 -0.132 0.000 2.896 888 T HA -0.130 4.219 4.350 -0.001 0.000 0.263 888 T C 1.547 176.256 174.700 0.016 0.000 1.050 888 T CA 0.998 62.992 62.100 -0.178 0.000 1.140 888 T CB -0.170 68.450 68.868 -0.414 0.000 0.877 888 T HN 0.456 nan 8.240 nan 0.000 0.457 889 H N 0.296 119.322 119.070 -0.072 0.000 2.321 889 H HA -0.065 4.491 4.556 -0.001 0.000 0.300 889 H C 2.341 177.654 175.328 -0.024 0.000 1.087 889 H CA 1.067 57.091 56.048 -0.040 0.000 1.319 889 H CB -0.099 29.643 29.762 -0.034 0.000 1.379 889 H HN 0.153 nan 8.280 nan 0.000 0.501 890 L N 1.194 122.432 121.223 0.026 0.000 2.012 890 L HA -0.129 4.210 4.340 -0.001 0.000 0.210 890 L C 2.575 179.429 176.870 -0.027 0.000 1.073 890 L CA 2.040 56.822 54.840 -0.098 0.000 0.748 890 L CB -1.139 40.849 42.059 -0.119 0.000 0.891 890 L HN 0.372 nan 8.230 nan 0.000 0.431 891 A N -0.854 122.061 122.820 0.159 0.000 1.940 891 A HA -0.247 4.073 4.320 -0.001 0.000 0.219 891 A C 1.971 179.629 177.584 0.122 0.000 1.176 891 A CA 1.976 54.178 52.037 0.274 0.000 0.631 891 A CB -0.960 18.194 19.000 0.257 0.000 0.814 891 A HN 0.552 nan 8.150 nan 0.000 0.446 892 D N -0.546 119.907 120.400 0.089 0.000 2.144 892 D HA -0.094 4.545 4.640 -0.001 0.000 0.199 892 D C 1.661 177.995 176.300 0.056 0.000 0.984 892 D CA 0.805 54.847 54.000 0.070 0.000 0.834 892 D CB -0.180 40.669 40.800 0.083 0.000 0.955 892 D HN 0.268 nan 8.370 nan 0.000 0.465 893 L N 0.399 121.649 121.223 0.045 0.000 2.156 893 L HA 0.043 4.383 4.340 -0.001 0.000 0.208 893 L C 2.254 179.108 176.870 -0.026 0.000 1.095 893 L CA 1.007 55.846 54.840 -0.002 0.000 0.770 893 L CB -1.050 40.971 42.059 -0.064 0.000 0.914 893 L HN -0.036 nan 8.230 nan 0.000 0.439 894 A N -0.780 122.020 122.820 -0.033 0.000 1.930 894 A HA -0.072 4.247 4.320 -0.001 0.000 0.217 894 A C 2.487 180.075 177.584 0.007 0.000 1.175 894 A CA 1.509 53.527 52.037 -0.033 0.000 0.627 894 A CB -0.727 18.269 19.000 -0.008 0.000 0.815 894 A HN 0.359 nan 8.150 nan 0.000 0.443 895 A N -0.121 122.716 122.820 0.028 0.000 1.898 895 A HA -0.141 4.179 4.320 -0.001 0.000 0.216 895 A C 2.106 179.695 177.584 0.008 0.000 1.181 895 A CA 1.790 53.840 52.037 0.021 0.000 0.620 895 A CB -0.394 18.622 19.000 0.025 0.000 0.819 895 A HN 0.528 nan 8.150 nan 0.000 0.442 896 K N -0.330 120.074 120.400 0.008 0.000 2.057 896 K HA -0.039 4.281 4.320 -0.001 0.000 0.207 896 K C 2.276 178.874 176.600 -0.004 0.000 1.049 896 K CA 1.077 57.366 56.287 0.003 0.000 0.931 896 K CB -0.313 32.192 32.500 0.007 0.000 0.714 896 K HN 0.432 nan 8.250 nan 0.000 0.440 897 A N 1.317 124.130 122.820 -0.011 0.000 1.972 897 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 897 A C 2.035 179.611 177.584 -0.013 0.000 1.169 897 A CA 1.218 53.244 52.037 -0.018 0.000 0.635 897 A CB -0.599 18.381 19.000 -0.033 0.000 0.810 897 A HN 0.181 nan 8.150 nan 0.000 0.446 898 L N -0.714 120.503 121.223 -0.010 0.000 2.201 898 L HA -0.118 4.221 4.340 -0.001 0.000 0.212 898 L C 1.171 178.037 176.870 -0.006 0.000 1.105 898 L CA 0.970 55.805 54.840 -0.008 0.000 0.775 898 L CB -0.338 41.717 42.059 -0.006 0.000 0.913 898 L HN 0.445 nan 8.230 nan 0.000 0.440 899 E N -0.036 120.161 120.200 -0.005 0.000 2.338 899 E HA 0.087 4.437 4.350 -0.001 0.000 0.231 899 E C 0.149 176.746 176.600 -0.004 0.000 1.231 899 E CA -0.226 56.172 56.400 -0.004 0.000 1.490 899 E CB 0.333 30.032 29.700 -0.003 0.000 1.360 899 E HN 0.363 nan 8.360 nan 0.000 0.435 900 S N -0.389 115.308 115.700 -0.006 0.000 2.840 900 S HA 0.184 4.653 4.470 -0.001 0.000 0.307 900 S C -0.005 174.592 174.600 -0.006 0.000 1.180 900 S CA -0.892 57.304 58.200 -0.006 0.000 0.846 900 S CB 1.100 64.296 63.200 -0.007 0.000 1.233 900 S HN 0.080 nan 8.310 nan 0.000 0.548 901 D N 0.538 120.935 120.400 -0.005 0.000 2.413 901 D HA 0.360 5.000 4.640 -0.001 0.000 0.237 901 D C 0.714 177.011 176.300 -0.005 0.000 1.171 901 D CA -0.174 53.823 54.000 -0.004 0.000 0.839 901 D CB -0.692 40.106 40.800 -0.004 0.000 0.950 901 D HN 0.770 nan 8.370 nan 0.000 0.499 902 A N 0.771 123.587 122.820 -0.007 0.000 2.483 902 A HA 0.389 4.708 4.320 -0.001 0.000 0.238 902 A C 0.971 178.552 177.584 -0.005 0.000 1.070 902 A CA -0.107 51.925 52.037 -0.008 0.000 0.770 902 A CB 0.097 19.090 19.000 -0.012 0.000 1.008 902 A HN 0.441 nan 8.150 nan 0.000 0.497 903 S N 1.421 117.119 115.700 -0.004 0.000 2.572 903 S HA 0.273 4.742 4.470 -0.001 0.000 0.267 903 S C 1.395 175.996 174.600 0.002 0.000 1.361 903 S CA -0.051 58.149 58.200 -0.000 0.000 1.009 903 S CB 0.584 63.785 63.200 0.001 0.000 0.888 903 S HN 1.462 nan 8.310 nan 0.000 0.553 904 G N 0.720 109.522 108.800 0.004 0.000 2.422 904 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.218 904 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.218 904 G C 0.929 175.836 174.900 0.013 0.000 1.146 904 G CA 0.807 45.912 45.100 0.007 0.000 0.769 904 G HN 0.761 nan 8.290 nan 0.000 0.547 905 D N 0.257 120.666 120.400 0.015 0.000 2.097 905 D HA -0.090 4.549 4.640 -0.001 0.000 0.195 905 D C 2.791 179.106 176.300 0.024 0.000 0.989 905 D CA 0.728 54.742 54.000 0.023 0.000 0.827 905 D CB -0.530 40.281 40.800 0.019 0.000 0.966 905 D HN 0.186 nan 8.370 nan 0.000 0.456 906 V N 1.071 120.991 119.914 0.011 0.000 2.287 906 V HA -0.260 3.859 4.120 -0.001 0.000 0.248 906 V C 2.308 178.401 176.094 -0.001 0.000 1.053 906 V CA 1.683 63.983 62.300 0.000 0.000 1.027 906 V CB -0.381 31.436 31.823 -0.010 0.000 0.646 906 V HN 0.190 nan 8.190 nan 0.000 0.447 907 K N -0.006 120.394 120.400 -0.001 0.000 2.103 907 K HA -0.198 4.121 4.320 -0.001 0.000 0.207 907 K C 2.417 179.017 176.600 -0.001 0.000 1.048 907 K CA 1.755 58.040 56.287 -0.005 0.000 0.930 907 K CB -0.341 32.156 32.500 -0.004 0.000 0.716 907 K HN 0.693 nan 8.250 nan 0.000 0.444 908 E N 1.170 121.380 120.200 0.017 0.000 2.051 908 E HA -0.122 4.228 4.350 -0.001 0.000 0.192 908 E C 2.010 178.641 176.600 0.051 0.000 0.991 908 E CA 1.364 57.784 56.400 0.033 0.000 0.799 908 E CB -0.766 28.971 29.700 0.063 0.000 0.748 908 E HN 0.432 nan 8.360 nan 0.000 0.449 909 A N 0.020 122.899 122.820 0.099 0.000 1.877 909 A HA 0.067 4.387 4.320 -0.001 0.000 0.216 909 A C 2.410 180.034 177.584 0.067 0.000 1.186 909 A CA 1.665 53.816 52.037 0.190 0.000 0.620 909 A CB -0.402 18.676 19.000 0.131 0.000 0.822 909 A HN 0.408 nan 8.150 nan 0.000 0.443 910 L N -0.503 120.724 121.223 0.006 0.000 2.042 910 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 910 L C 2.603 179.481 176.870 0.014 0.000 1.076 910 L CA 2.370 57.209 54.840 -0.001 0.000 0.749 910 L CB -0.964 41.078 42.059 -0.027 0.000 0.893 910 L HN 0.552 nan 8.230 nan 0.000 0.432 911 Q N -0.746 119.020 119.800 -0.056 0.000 2.172 911 Q HA -0.060 4.280 4.340 -0.001 0.000 0.200 911 Q C 2.130 177.972 176.000 -0.264 0.000 0.964 911 Q CA 1.681 57.421 55.803 -0.106 0.000 0.855 911 Q CB -0.623 28.060 28.738 -0.091 0.000 0.918 911 Q HN 0.428 nan 8.270 nan 0.000 0.444 912 G N -0.695 107.798 108.800 -0.513 0.000 2.402 912 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.216 912 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.216 912 G C 1.205 175.575 174.900 -0.884 0.000 1.162 912 G CA 0.566 44.836 45.100 -1.384 0.000 0.777 912 G HN 0.549 nan 8.290 nan 0.000 0.539 913 W N 0.671 121.683 121.300 -0.480 0.000 2.381 913 W HA 0.029 4.688 4.660 -0.001 0.000 0.301 913 W C 2.170 178.595 176.519 -0.156 0.000 1.205 913 W CA 0.728 57.970 57.345 -0.172 0.000 1.285 913 W CB -0.292 29.083 29.460 -0.141 0.000 1.133 913 W HN 0.107 nan 8.180 nan 0.000 0.521 914 L N 1.332 122.559 121.223 0.006 0.000 2.012 914 L HA -0.169 4.171 4.340 -0.001 0.000 0.210 914 L C 2.586 179.280 176.870 -0.293 0.000 1.073 914 L CA 2.531 57.296 54.840 -0.124 0.000 0.748 914 L CB -1.714 40.360 42.059 0.026 0.000 0.891 914 L HN 0.154 nan 8.230 nan 0.000 0.431 915 A N -1.596 121.069 122.820 -0.257 0.000 2.066 915 A HA 0.102 4.422 4.320 -0.001 0.000 0.218 915 A C 1.927 179.371 177.584 -0.233 0.000 1.157 915 A CA 1.326 53.231 52.037 -0.221 0.000 0.670 915 A CB -0.703 18.182 19.000 -0.192 0.000 0.804 915 A HN 0.456 nan 8.150 nan 0.000 0.453 916 G N -0.244 108.376 108.800 -0.299 0.000 3.863 916 G HA2 0.216 4.176 3.960 -0.001 0.000 0.290 916 G HA3 0.216 4.176 3.960 -0.001 0.000 0.290 916 G C 1.017 175.692 174.900 -0.375 0.000 1.018 916 G CA 0.474 45.435 45.100 -0.233 0.000 0.824 916 G HN 0.622 nan 8.290 nan 0.000 0.507 917 K N 0.111 120.106 120.400 -0.676 0.000 2.173 917 K HA -0.146 4.173 4.320 -0.001 0.000 0.207 917 K C 1.156 177.498 176.600 -0.431 0.000 1.046 917 K CA 1.669 57.376 56.287 -0.966 0.000 0.929 917 K CB -0.259 31.467 32.500 -1.290 0.000 0.720 917 K HN 0.312 nan 8.250 nan 0.000 0.453 918 N N 0.712 119.250 118.700 -0.270 0.000 2.230 918 N HA -0.006 4.733 4.740 -0.001 0.000 0.202 918 N C -0.902 174.564 175.510 -0.074 0.000 1.119 918 N CA -0.265 52.705 53.050 -0.133 0.000 0.851 918 N CB 0.412 38.834 38.487 -0.107 0.000 0.990 918 N HN 0.208 nan 8.380 nan 0.000 0.497 919 D N 0.579 120.932 120.400 -0.078 0.000 2.280 919 D HA 0.195 4.835 4.640 -0.001 0.000 0.236 919 D C -1.931 174.382 176.300 0.021 0.000 1.082 919 D CA -2.507 51.482 54.000 -0.017 0.000 0.834 919 D CB 1.796 42.587 40.800 -0.015 0.000 1.100 919 D HN -0.138 nan 8.370 nan 0.000 0.486 920 P HA -0.070 nan 4.420 nan 0.000 0.218 920 P C 1.335 178.693 177.300 0.097 0.000 1.148 920 P CA 1.020 64.179 63.100 0.098 0.000 0.822 920 P CB 0.324 32.103 31.700 0.132 0.000 0.784 921 I N -1.366 119.252 120.570 0.081 0.000 2.277 921 I HA -0.136 4.033 4.170 -0.001 0.000 0.243 921 I C 2.181 178.344 176.117 0.076 0.000 1.094 921 I CA 1.148 62.492 61.300 0.073 0.000 1.393 921 I CB -0.400 37.637 38.000 0.061 0.000 1.078 921 I HN -0.164 nan 8.210 nan 0.000 0.417 922 K N 1.033 121.485 120.400 0.087 0.000 2.062 922 K HA -0.066 4.254 4.320 -0.001 0.000 0.205 922 K C 2.328 179.053 176.600 0.207 0.000 1.051 922 K CA 1.722 58.103 56.287 0.157 0.000 0.941 922 K CB -0.564 32.026 32.500 0.151 0.000 0.719 922 K HN 0.382 nan 8.250 nan 0.000 0.440 923 S N 1.298 117.057 115.700 0.098 0.000 2.383 923 S HA -0.172 4.297 4.470 -0.001 0.000 0.229 923 S C 2.100 176.872 174.600 0.287 0.000 1.030 923 S CA 1.403 59.669 58.200 0.110 0.000 1.002 923 S CB -0.149 63.062 63.200 0.018 0.000 0.829 923 S HN 0.279 nan 8.310 nan 0.000 0.467 924 K N 1.255 121.774 120.400 0.198 0.000 2.103 924 K HA -0.057 4.263 4.320 -0.001 0.000 0.204 924 K C 2.399 179.075 176.600 0.126 0.000 1.052 924 K CA 1.198 57.594 56.287 0.181 0.000 0.945 924 K CB -0.226 32.351 32.500 0.129 0.000 0.722 924 K HN 0.609 nan 8.250 nan 0.000 0.443 925 E N -0.350 119.886 120.200 0.060 0.000 2.023 925 E HA -0.224 4.125 4.350 -0.001 0.000 0.196 925 E C 1.688 178.189 176.600 -0.165 0.000 1.003 925 E CA 1.593 57.930 56.400 -0.105 0.000 0.809 925 E CB -0.150 29.398 29.700 -0.253 0.000 0.755 925 E HN 0.415 nan 8.360 nan 0.000 0.449 926 Y N -0.288 120.067 120.300 0.092 0.000 2.337 926 Y HA 0.044 4.593 4.550 -0.001 0.000 0.293 926 Y C 2.371 178.296 175.900 0.042 0.000 1.123 926 Y CA 0.824 58.973 58.100 0.081 0.000 1.201 926 Y CB -0.416 38.115 38.460 0.119 0.000 1.011 926 Y HN 0.185 nan 8.280 nan 0.000 0.545 927 G N -0.011 108.935 108.800 0.244 0.000 2.418 927 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.217 927 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.217 927 G C 1.185 176.173 174.900 0.148 0.000 1.158 927 G CA 1.343 46.485 45.100 0.070 0.000 0.771 927 G HN 0.262 nan 8.290 nan 0.000 0.545 928 D N 0.507 120.993 120.400 0.143 0.000 2.178 928 D HA -0.021 4.618 4.640 -0.001 0.000 0.202 928 D C 2.466 178.803 176.300 0.061 0.000 0.974 928 D CA 0.734 54.798 54.000 0.108 0.000 0.841 928 D CB -0.074 40.765 40.800 0.064 0.000 0.953 928 D HN 0.315 nan 8.370 nan 0.000 0.478 929 K N -0.078 120.338 120.400 0.026 0.000 2.103 929 K HA -0.064 4.255 4.320 -0.001 0.000 0.204 929 K C 1.938 178.549 176.600 0.020 0.000 1.052 929 K CA 0.265 56.560 56.287 0.014 0.000 0.945 929 K CB -0.045 32.459 32.500 0.007 0.000 0.722 929 K HN 0.015 nan 8.250 nan 0.000 0.443 930 L N 2.078 123.293 121.223 -0.013 0.000 2.046 930 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 930 L C 1.882 178.787 176.870 0.059 0.000 1.077 930 L CA 1.766 56.565 54.840 -0.067 0.000 0.747 930 L CB -0.331 41.498 42.059 -0.384 0.000 0.896 930 L HN 0.051 nan 8.230 nan 0.000 0.432 931 K N -0.864 119.634 120.400 0.163 0.000 2.103 931 K HA -0.197 4.123 4.320 -0.001 0.000 0.207 931 K C 2.043 178.690 176.600 0.078 0.000 1.048 931 K CA 1.368 57.759 56.287 0.174 0.000 0.930 931 K CB -0.066 32.532 32.500 0.164 0.000 0.716 931 K HN 0.347 nan 8.250 nan 0.000 0.444 932 K N 0.562 120.995 120.400 0.054 0.000 2.067 932 K HA 0.019 4.338 4.320 -0.001 0.000 0.203 932 K C 2.155 178.769 176.600 0.023 0.000 1.048 932 K CA 0.665 56.971 56.287 0.031 0.000 0.954 932 K CB -0.025 32.488 32.500 0.023 0.000 0.737 932 K HN 0.048 nan 8.250 nan 0.000 0.444 933 L N 1.022 122.257 121.223 0.021 0.000 2.083 933 L HA -0.138 4.201 4.340 -0.001 0.000 0.209 933 L C 1.916 178.792 176.870 0.010 0.000 1.083 933 L CA 1.073 55.921 54.840 0.012 0.000 0.752 933 L CB -0.236 41.828 42.059 0.008 0.000 0.899 933 L HN 0.145 nan 8.230 nan 0.000 0.433 934 L N -0.395 120.838 121.223 0.017 0.000 2.628 934 L HA 0.264 4.603 4.340 -0.001 0.000 0.229 934 L C 1.083 177.962 176.870 0.015 0.000 1.137 934 L CA -0.655 54.194 54.840 0.014 0.000 0.909 934 L CB -0.290 41.782 42.059 0.021 0.000 1.137 934 L HN 0.056 nan 8.230 nan 0.000 0.470 935 A N 0.531 123.360 122.820 0.016 0.000 2.548 935 A HA 0.361 4.681 4.320 -0.001 0.000 0.247 935 A C 1.477 179.062 177.584 0.002 0.000 1.067 935 A CA 0.927 52.969 52.037 0.010 0.000 0.757 935 A CB -0.263 18.743 19.000 0.010 0.000 0.996 935 A HN 0.627 nan 8.150 nan 0.000 0.504 936 G N 0.985 109.783 108.800 -0.002 0.000 2.225 936 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.254 936 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.254 936 G C 0.440 175.336 174.900 -0.007 0.000 0.988 936 G CA 0.621 45.718 45.100 -0.005 0.000 0.625 936 G HN 1.201 nan 8.290 nan 0.000 0.527 937 Q N 0.484 120.280 119.800 -0.006 0.000 2.271 937 Q HA 0.627 4.966 4.340 -0.001 0.000 0.273 937 Q C 0.939 176.931 176.000 -0.013 0.000 1.051 937 Q CA 0.634 56.432 55.803 -0.008 0.000 0.901 937 Q CB 0.927 29.661 28.738 -0.008 0.000 1.174 937 Q HN 0.252 nan 8.270 nan 0.000 0.385 938 K N 1.633 122.025 120.400 -0.013 0.000 2.481 938 K HA 0.269 4.588 4.320 -0.001 0.000 0.210 938 K C -1.052 175.540 176.600 -0.014 0.000 1.161 938 K CA -0.005 56.273 56.287 -0.015 0.000 1.023 938 K CB 0.849 33.342 32.500 -0.013 0.000 0.971 938 K HN 0.562 nan 8.250 nan 0.000 0.577 939 D N -0.042 120.351 120.400 -0.012 0.000 2.269 939 D HA 0.527 5.166 4.640 -0.001 0.000 0.244 939 D C 0.801 177.093 176.300 -0.012 0.000 0.992 939 D CA 0.351 54.345 54.000 -0.011 0.000 0.894 939 D CB 1.488 42.282 40.800 -0.008 0.000 1.248 939 D HN 0.157 nan 8.370 nan 0.000 0.468 940 G N 0.461 109.255 108.800 -0.010 0.000 2.575 940 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.267 940 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.267 940 G C 0.905 175.796 174.900 -0.015 0.000 1.264 940 G CA 0.201 45.295 45.100 -0.010 0.000 0.935 940 G HN 0.549 nan 8.290 nan 0.000 0.568 941 L N -1.212 120.002 121.223 -0.015 0.000 2.012 941 L HA -0.055 4.284 4.340 -0.001 0.000 0.210 941 L C 2.979 179.830 176.870 -0.032 0.000 1.073 941 L CA 2.198 57.025 54.840 -0.021 0.000 0.748 941 L CB -0.410 41.639 42.059 -0.017 0.000 0.891 941 L HN 0.540 nan 8.230 nan 0.000 0.431 942 L N 0.163 121.369 121.223 -0.028 0.000 2.127 942 L HA -0.130 4.210 4.340 -0.001 0.000 0.211 942 L C 2.536 179.389 176.870 -0.029 0.000 1.089 942 L CA 1.896 56.718 54.840 -0.030 0.000 0.757 942 L CB -1.563 40.483 42.059 -0.022 0.000 0.899 942 L HN 0.335 nan 8.230 nan 0.000 0.434 943 G N -1.641 107.144 108.800 -0.026 0.000 2.421 943 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.216 943 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.216 943 G C 1.476 176.352 174.900 -0.040 0.000 1.171 943 G CA 0.500 45.584 45.100 -0.027 0.000 0.775 943 G HN 0.444 nan 8.290 nan 0.000 0.543 944 Q N -0.143 119.628 119.800 -0.048 0.000 2.096 944 Q HA -0.033 4.306 4.340 -0.001 0.000 0.204 944 Q C 2.609 178.551 176.000 -0.096 0.000 0.982 944 Q CA 1.131 56.890 55.803 -0.074 0.000 0.850 944 Q CB -0.236 28.453 28.738 -0.081 0.000 0.901 944 Q HN 0.516 nan 8.270 nan 0.000 0.422 945 I N 0.665 121.187 120.570 -0.081 0.000 2.226 945 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 945 I C 2.405 178.524 176.117 0.004 0.000 1.100 945 I CA 0.896 62.155 61.300 -0.068 0.000 1.374 945 I CB -0.397 37.553 38.000 -0.083 0.000 1.057 945 I HN 0.171 nan 8.210 nan 0.000 0.413 946 A N 0.667 123.486 122.820 -0.002 0.000 1.972 946 A HA -0.096 4.223 4.320 -0.001 0.000 0.219 946 A C 2.378 179.923 177.584 -0.065 0.000 1.169 946 A CA 1.667 53.711 52.037 0.012 0.000 0.635 946 A CB -0.620 18.379 19.000 -0.001 0.000 0.810 946 A HN 0.436 nan 8.150 nan 0.000 0.446 947 A N -1.302 121.469 122.820 -0.082 0.000 2.235 947 A HA 0.297 4.616 4.320 -0.001 0.000 0.208 947 A C 1.619 179.109 177.584 -0.156 0.000 1.172 947 A CA 0.773 52.746 52.037 -0.105 0.000 0.786 947 A CB -0.451 18.502 19.000 -0.079 0.000 0.804 947 A HN 0.496 nan 8.150 nan 0.000 0.479 948 M N -0.097 119.382 119.600 -0.202 0.000 2.560 948 M HA 0.031 4.510 4.480 -0.001 0.000 0.297 948 M C 1.719 177.680 176.300 -0.565 0.000 1.201 948 M CA 0.464 55.609 55.300 -0.258 0.000 0.973 948 M CB 0.297 32.790 32.600 -0.179 0.000 1.401 948 M HN 0.502 nan 8.290 nan 0.000 0.497 949 S N 0.741 115.962 115.700 -0.799 0.000 2.420 949 S HA -0.198 4.272 4.470 -0.001 0.000 0.237 949 S C 1.318 175.431 174.600 -0.811 0.000 1.023 949 S CA 1.883 59.225 58.200 -1.429 0.000 0.991 949 S CB -0.543 62.230 63.200 -0.711 0.000 0.792 949 S HN 0.640 nan 8.310 nan 0.000 0.488 950 D N 1.040 121.203 120.400 -0.395 0.000 2.352 950 D HA 0.024 4.664 4.640 -0.001 0.000 0.232 950 D C 1.235 177.488 176.300 -0.078 0.000 1.055 950 D CA 0.233 54.124 54.000 -0.181 0.000 0.891 950 D CB -0.431 40.305 40.800 -0.107 0.000 0.897 950 D HN 0.540 nan 8.370 nan 0.000 0.529 951 L N -1.301 119.855 121.223 -0.112 0.000 2.858 951 L HA 0.209 4.549 4.340 -0.001 0.000 0.251 951 L C 1.643 178.684 176.870 0.285 0.000 1.149 951 L CA -0.386 54.503 54.840 0.081 0.000 0.955 951 L CB -0.079 42.013 42.059 0.055 0.000 1.289 951 L HN -0.035 nan 8.230 nan 0.000 0.542 952 Y N 0.820 121.183 120.300 0.105 0.000 2.049 952 Y HA -0.202 4.347 4.550 -0.001 0.000 0.277 952 Y C 1.987 178.184 175.900 0.494 0.000 1.143 952 Y CA 1.122 59.366 58.100 0.240 0.000 1.115 952 Y CB -0.221 38.284 38.460 0.075 0.000 0.975 952 Y HN 0.149 nan 8.280 nan 0.000 0.487 953 T N 0.929 115.758 114.554 0.459 0.000 2.869 953 T HA 0.145 4.495 4.350 -0.001 0.000 0.295 953 T C -0.412 174.442 174.700 0.256 0.000 0.987 953 T CA -1.023 61.274 62.100 0.328 0.000 1.109 953 T CB 1.221 70.230 68.868 0.234 0.000 0.932 953 T HN -0.007 nan 8.240 nan 0.000 0.518 954 K N 3.616 124.129 120.400 0.188 0.000 2.491 954 K HA 0.091 4.411 4.320 -0.001 0.000 0.279 954 K C 0.064 176.762 176.600 0.163 0.000 1.026 954 K CA 0.392 56.762 56.287 0.138 0.000 1.070 954 K CB 0.216 32.759 32.500 0.072 0.000 0.887 954 K HN 0.498 nan 8.250 nan 0.000 0.481 955 K N 2.107 122.616 120.400 0.181 0.000 2.109 955 K HA 0.256 4.575 4.320 -0.001 0.000 0.243 955 K C -0.470 176.248 176.600 0.197 0.000 1.006 955 K CA -0.585 55.845 56.287 0.239 0.000 0.917 955 K CB 1.681 34.418 32.500 0.395 0.000 1.081 955 K HN 0.536 nan 8.250 nan 0.000 0.468 956 S N 0.853 116.709 115.700 0.261 0.000 2.594 956 S HA 0.288 4.758 4.470 -0.001 0.000 0.322 956 S C -0.871 173.906 174.600 0.295 0.000 1.085 956 S CA -0.699 57.630 58.200 0.215 0.000 1.116 956 S CB 0.356 63.742 63.200 0.310 0.000 0.979 956 S HN 0.238 nan 8.310 nan 0.000 0.465 957 V N 6.167 126.114 119.914 0.055 0.000 2.408 957 V HA 0.388 4.507 4.120 -0.001 0.000 0.267 957 V C -0.612 175.416 176.094 -0.110 0.000 1.047 957 V CA -0.284 62.028 62.300 0.019 0.000 0.937 957 V CB 0.050 31.787 31.823 -0.143 0.000 0.999 957 V HN 0.827 nan 8.190 nan 0.000 0.472 958 W N 4.837 126.119 121.300 -0.031 0.000 2.666 958 W HA 0.723 5.382 4.660 -0.001 0.000 0.334 958 W C -0.398 176.070 176.519 -0.085 0.000 1.051 958 W CA -0.609 56.725 57.345 -0.018 0.000 1.224 958 W CB 1.554 30.980 29.460 -0.056 0.000 1.405 958 W HN 0.327 nan 8.180 nan 0.000 0.513 959 I N 3.733 124.480 120.570 0.295 0.000 2.382 959 I HA 0.306 4.475 4.170 -0.001 0.000 0.285 959 I C -0.668 175.731 176.117 0.470 0.000 1.007 959 I CA -0.506 60.914 61.300 0.200 0.000 1.142 959 I CB 0.526 38.643 38.000 0.194 0.000 1.289 959 I HN 0.204 nan 8.210 nan 0.000 0.453 960 F N 4.030 124.026 119.950 0.077 0.000 2.404 960 F HA 0.770 5.296 4.527 -0.001 0.000 0.339 960 F C 0.879 176.584 175.800 -0.159 0.000 1.105 960 F CA -0.758 57.331 58.000 0.147 0.000 1.087 960 F CB 2.131 41.267 39.000 0.226 0.000 1.143 960 F HN 0.488 nan 8.300 nan 0.000 0.491 961 G N 1.171 110.070 108.800 0.165 0.000 2.547 961 G HA2 0.470 4.429 3.960 -0.001 0.000 0.291 961 G HA3 0.470 4.429 3.960 -0.001 0.000 0.291 961 G C -1.225 173.910 174.900 0.393 0.000 1.471 961 G CA -0.581 44.569 45.100 0.082 0.000 0.798 961 G HN 0.890 nan 8.290 nan 0.000 0.504 962 G N -1.026 108.033 108.800 0.430 0.000 2.543 962 G HA2 0.475 4.435 3.960 -0.001 0.000 0.290 962 G HA3 0.475 4.435 3.960 -0.001 0.000 0.290 962 G C 0.831 175.955 174.900 0.372 0.000 1.310 962 G CA 0.536 45.832 45.100 0.327 0.000 1.025 962 G HN 0.678 nan 8.290 nan 0.000 0.502 963 D N -0.825 119.690 120.400 0.192 0.000 2.178 963 D HA -0.079 4.560 4.640 -0.001 0.000 0.202 963 D C 2.171 178.503 176.300 0.054 0.000 0.974 963 D CA 1.176 55.273 54.000 0.162 0.000 0.841 963 D CB -0.701 40.011 40.800 -0.145 0.000 0.953 963 D HN 0.466 nan 8.370 nan 0.000 0.478 964 G N 0.511 109.234 108.800 -0.129 0.000 2.446 964 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.217 964 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.217 964 G C 1.401 176.352 174.900 0.086 0.000 1.168 964 G CA 0.866 45.708 45.100 -0.431 0.000 0.771 964 G HN 0.428 nan 8.290 nan 0.000 0.551 965 W N 1.869 123.251 121.300 0.137 0.000 2.353 965 W HA 0.112 4.771 4.660 -0.001 0.000 0.319 965 W C 2.682 179.216 176.519 0.025 0.000 1.207 965 W CA 2.392 59.716 57.345 -0.035 0.000 1.291 965 W CB -0.551 28.977 29.460 0.113 0.000 1.159 965 W HN 0.249 nan 8.180 nan 0.000 0.478 966 A N -0.617 121.954 122.820 -0.415 0.000 1.877 966 A HA -0.196 4.124 4.320 -0.001 0.000 0.216 966 A C 1.867 179.224 177.584 -0.379 0.000 1.186 966 A CA 1.879 53.462 52.037 -0.756 0.000 0.620 966 A CB -1.430 17.384 19.000 -0.311 0.000 0.822 966 A HN 0.531 nan 8.150 nan 0.000 0.443 967 Y N -0.300 119.829 120.300 -0.284 0.000 2.490 967 Y HA 0.050 4.600 4.550 -0.001 0.000 0.285 967 Y C 1.648 177.399 175.900 -0.248 0.000 1.117 967 Y CA 0.706 58.621 58.100 -0.307 0.000 1.262 967 Y CB 0.029 38.360 38.460 -0.215 0.000 1.043 967 Y HN 0.313 nan 8.280 nan 0.000 0.553 968 D N -0.934 119.481 120.400 0.025 0.000 2.970 968 D HA 0.030 4.670 4.640 -0.001 0.000 0.236 968 D C 2.027 178.340 176.300 0.022 0.000 1.415 968 D CA -0.032 54.017 54.000 0.082 0.000 1.279 968 D CB -0.785 40.176 40.800 0.268 0.000 0.932 968 D HN 0.054 nan 8.370 nan 0.000 0.216 969 I N 0.881 121.449 120.570 -0.004 0.000 2.264 969 I HA -0.141 4.029 4.170 -0.001 0.000 0.248 969 I C 1.576 177.571 176.117 -0.204 0.000 1.111 969 I CA 1.777 62.986 61.300 -0.152 0.000 1.382 969 I CB 0.029 37.859 38.000 -0.282 0.000 1.060 969 I HN 0.151 nan 8.210 nan 0.000 0.418 970 G N -1.531 107.072 108.800 -0.329 0.000 3.189 970 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.225 970 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.225 970 G C 1.102 175.767 174.900 -0.392 0.000 1.159 970 G CA -0.174 44.719 45.100 -0.345 0.000 0.763 970 G HN 0.403 nan 8.290 nan 0.000 0.549 971 Y N 2.179 122.221 120.300 -0.429 0.000 2.128 971 Y HA -0.141 4.408 4.550 -0.001 0.000 0.284 971 Y C 2.540 178.310 175.900 -0.217 0.000 1.154 971 Y CA 1.709 59.601 58.100 -0.348 0.000 1.149 971 Y CB -0.622 37.694 38.460 -0.241 0.000 0.976 971 Y HN 0.120 nan 8.280 nan 0.000 0.505 972 G N -0.793 107.815 108.800 -0.320 0.000 2.440 972 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.218 972 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.218 972 G C 1.908 176.657 174.900 -0.252 0.000 1.154 972 G CA 0.906 45.802 45.100 -0.339 0.000 0.767 972 G HN 0.643 nan 8.290 nan 0.000 0.552 973 G N 0.501 109.198 108.800 -0.171 0.000 2.403 973 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.216 973 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.216 973 G C 1.712 176.569 174.900 -0.071 0.000 1.154 973 G CA 0.938 45.986 45.100 -0.086 0.000 0.784 973 G HN 0.406 nan 8.290 nan 0.000 0.538 974 L N 1.275 122.421 121.223 -0.129 0.000 2.017 974 L HA -0.001 4.338 4.340 -0.001 0.000 0.208 974 L C 2.228 179.005 176.870 -0.155 0.000 1.073 974 L CA 2.702 57.478 54.840 -0.107 0.000 0.745 974 L CB -0.819 41.079 42.059 -0.269 0.000 0.894 974 L HN 0.293 nan 8.230 nan 0.000 0.432 975 D N -1.675 118.553 120.400 -0.287 0.000 2.104 975 D HA -0.309 4.331 4.640 -0.001 0.000 0.194 975 D C 2.255 178.441 176.300 -0.189 0.000 0.994 975 D CA 1.696 55.536 54.000 -0.266 0.000 0.830 975 D CB -0.267 40.232 40.800 -0.502 0.000 0.959 975 D HN 0.581 nan 8.370 nan 0.000 0.452 976 H N -0.368 118.547 119.070 -0.258 0.000 2.353 976 H HA -0.068 4.488 4.556 -0.001 0.000 0.300 976 H C 2.117 177.247 175.328 -0.331 0.000 1.090 976 H CA 1.514 57.408 56.048 -0.257 0.000 1.327 976 H CB -0.020 29.594 29.762 -0.246 0.000 1.383 976 H HN 0.114 nan 8.280 nan 0.000 0.508 977 V N 1.317 121.087 119.914 -0.241 0.000 2.407 977 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 977 V C 2.903 178.854 176.094 -0.238 0.000 1.055 977 V CA 1.351 63.441 62.300 -0.350 0.000 1.049 977 V CB -0.513 31.213 31.823 -0.161 0.000 0.662 977 V HN 0.321 nan 8.190 nan 0.000 0.455 978 L N 0.113 121.216 121.223 -0.200 0.000 2.093 978 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 978 L C 2.582 179.254 176.870 -0.331 0.000 1.085 978 L CA 1.388 56.115 54.840 -0.189 0.000 0.755 978 L CB -0.694 41.259 42.059 -0.176 0.000 0.904 978 L HN 0.345 nan 8.230 nan 0.000 0.435 979 A N -0.156 122.335 122.820 -0.549 0.000 2.168 979 A HA -0.129 4.191 4.320 -0.001 0.000 0.215 979 A C 2.445 179.896 177.584 -0.223 0.000 1.152 979 A CA 1.323 52.990 52.037 -0.617 0.000 0.716 979 A CB -0.459 18.160 19.000 -0.635 0.000 0.794 979 A HN 0.510 nan 8.150 nan 0.000 0.465 980 S N -1.433 114.106 115.700 -0.267 0.000 2.428 980 S HA 0.254 4.724 4.470 -0.001 0.000 0.230 980 S C 1.647 176.204 174.600 -0.071 0.000 1.014 980 S CA 1.292 59.376 58.200 -0.194 0.000 0.957 980 S CB -0.584 62.497 63.200 -0.199 0.000 0.784 980 S HN 1.871 nan 8.310 nan 0.000 0.499 981 G N 0.795 109.610 108.800 0.026 0.000 2.159 981 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.256 981 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.256 981 G C -0.163 174.748 174.900 0.018 0.000 0.977 981 G CA 0.363 45.485 45.100 0.037 0.000 0.652 981 G HN 0.639 nan 8.290 nan 0.000 0.531 982 E N 0.051 120.281 120.200 0.050 0.000 2.312 982 E HA 0.343 4.692 4.350 -0.001 0.000 0.259 982 E C -0.557 176.050 176.600 0.012 0.000 1.122 982 E CA -0.692 55.719 56.400 0.018 0.000 0.922 982 E CB 0.648 30.387 29.700 0.065 0.000 1.109 982 E HN 0.077 nan 8.360 nan 0.000 0.442 983 D N 1.893 122.268 120.400 -0.042 0.000 2.498 983 D HA 0.119 4.759 4.640 -0.001 0.000 0.229 983 D C -1.097 175.152 176.300 -0.084 0.000 1.188 983 D CA -0.117 53.843 54.000 -0.066 0.000 1.028 983 D CB -0.361 40.390 40.800 -0.082 0.000 1.087 983 D HN 0.233 nan 8.370 nan 0.000 0.510 984 V N 0.602 120.477 119.914 -0.065 0.000 2.962 984 V HA 0.660 4.779 4.120 -0.001 0.000 0.313 984 V C -0.547 175.427 176.094 -0.199 0.000 1.099 984 V CA -1.104 61.126 62.300 -0.116 0.000 0.971 984 V CB 2.369 34.194 31.823 0.004 0.000 1.028 984 V HN 0.232 nan 8.190 nan 0.000 0.430 985 N N 1.934 120.389 118.700 -0.408 0.000 2.399 985 N HA 0.561 5.301 4.740 -0.001 0.000 0.280 985 N C -0.762 174.633 175.510 -0.193 0.000 1.008 985 N CA -0.276 52.411 53.050 -0.605 0.000 0.894 985 N CB 2.362 39.752 38.487 -1.828 0.000 1.273 985 N HN 0.982 nan 8.380 nan 0.000 0.486 986 V N -0.200 119.775 119.914 0.103 0.000 2.398 986 V HA 0.620 4.740 4.120 -0.001 0.000 0.286 986 V C -0.685 175.752 176.094 0.572 0.000 1.026 986 V CA -0.741 61.787 62.300 0.380 0.000 0.868 986 V CB 0.998 33.036 31.823 0.359 0.000 0.982 986 V HN 0.463 nan 8.190 nan 0.000 0.443 987 F N 5.296 125.596 119.950 0.584 0.000 2.403 987 F HA 0.741 5.267 4.527 -0.001 0.000 0.355 987 F C -0.395 175.632 175.800 0.378 0.000 1.119 987 F CA -0.928 57.373 58.000 0.502 0.000 1.007 987 F CB 1.677 40.990 39.000 0.522 0.000 1.194 987 F HN 0.476 nan 8.300 nan 0.000 0.443 988 V N 7.773 127.579 119.914 -0.180 0.000 2.350 988 V HA 0.290 4.409 4.120 -0.001 0.000 0.276 988 V C 0.082 175.936 176.094 -0.400 0.000 1.028 988 V CA -0.506 61.754 62.300 -0.066 0.000 0.860 988 V CB 1.330 33.236 31.823 0.139 0.000 0.990 988 V HN 0.700 nan 8.190 nan 0.000 0.453 989 M N 4.400 123.854 119.600 -0.243 0.000 2.151 989 M HA 0.295 4.775 4.480 -0.001 0.000 0.349 989 M C -0.245 176.012 176.300 -0.071 0.000 1.284 989 M CA -0.188 54.967 55.300 -0.242 0.000 1.173 989 M CB 0.411 32.987 32.600 -0.040 0.000 1.469 989 M HN 0.478 nan 8.290 nan 0.000 0.439 990 D N 2.440 122.785 120.400 -0.092 0.000 2.393 990 D HA 0.089 4.728 4.640 -0.001 0.000 0.232 990 D C 0.898 177.091 176.300 -0.177 0.000 1.192 990 D CA 0.053 54.039 54.000 -0.023 0.000 0.882 990 D CB 0.979 41.898 40.800 0.199 0.000 1.038 990 D HN 0.645 nan 8.370 nan 0.000 0.499 991 T N 0.029 114.507 114.554 -0.127 0.000 3.086 991 T HA 0.073 4.422 4.350 -0.001 0.000 0.250 991 T C 0.547 175.175 174.700 -0.120 0.000 1.074 991 T CA -0.293 61.712 62.100 -0.158 0.000 0.988 991 T CB -0.255 68.572 68.868 -0.068 0.000 0.988 991 T HN 0.564 nan 8.240 nan 0.000 0.530 992 E N -0.554 119.586 120.200 -0.099 0.000 2.586 992 E HA -0.145 4.204 4.350 -0.001 0.000 0.259 992 E C -0.371 176.196 176.600 -0.056 0.000 1.107 992 E CA 0.376 56.739 56.400 -0.062 0.000 0.754 992 E CB -2.066 27.676 29.700 0.070 0.000 1.335 992 E HN 0.521 nan 8.360 nan 0.000 0.411 993 V N -0.573 119.299 119.914 -0.071 0.000 3.265 993 V HA 0.206 4.325 4.120 -0.001 0.000 0.275 993 V C -1.740 174.357 176.094 0.005 0.000 1.684 993 V CA -0.921 61.379 62.300 -0.002 0.000 1.032 993 V CB 1.377 33.211 31.823 0.019 0.000 1.250 993 V HN 0.162 nan 8.190 nan 0.000 0.468 994 Y N 3.093 123.409 120.300 0.027 0.000 2.613 994 Y HA 0.309 4.858 4.550 -0.001 0.000 0.354 994 Y C 1.543 177.447 175.900 0.007 0.000 1.063 994 Y CA 0.764 58.888 58.100 0.040 0.000 1.384 994 Y CB 1.307 39.776 38.460 0.015 0.000 1.199 994 Y HN 0.664 nan 8.280 nan 0.000 0.517 995 S N 1.946 117.720 115.700 0.124 0.000 2.329 995 S HA -0.217 4.252 4.470 -0.001 0.000 0.215 995 S C 1.970 176.609 174.600 0.065 0.000 1.031 995 S CA 1.448 59.695 58.200 0.079 0.000 0.985 995 S CB -0.276 62.966 63.200 0.071 0.000 0.917 995 S HN 0.828 nan 8.310 nan 0.000 0.441 996 N N 1.226 119.965 118.700 0.066 0.000 2.091 996 N HA -0.159 4.580 4.740 -0.001 0.000 0.193 996 N C 1.521 177.029 175.510 -0.002 0.000 1.021 996 N CA 2.214 55.283 53.050 0.032 0.000 0.862 996 N CB -0.391 38.102 38.487 0.010 0.000 1.018 996 N HN 0.548 nan 8.380 nan 0.000 0.429 997 T N -4.458 110.092 114.554 -0.007 0.000 3.118 997 T HA 0.286 4.635 4.350 -0.001 0.000 0.260 997 T C 1.247 175.920 174.700 -0.046 0.000 1.139 997 T CA 0.496 62.568 62.100 -0.047 0.000 1.085 997 T CB 0.110 68.922 68.868 -0.093 0.000 0.934 997 T HN 0.349 nan 8.240 nan 0.000 0.518 998 G N 0.299 109.086 108.800 -0.022 0.000 2.148 998 G HA2 0.312 4.271 3.960 -0.001 0.000 0.120 998 G HA3 0.312 4.271 3.960 -0.001 0.000 0.120 998 G C 0.682 175.561 174.900 -0.036 0.000 1.034 998 G CA -0.134 44.940 45.100 -0.043 0.000 0.710 998 G HN 1.464 nan 8.290 nan 0.000 0.495 999 G N -0.944 107.861 108.800 0.009 0.000 2.256 999 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.272 999 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.272 999 G C 0.164 175.083 174.900 0.032 0.000 1.076 999 G CA 0.902 46.013 45.100 0.018 0.000 0.882 999 G HN 1.059 nan 8.290 nan 0.000 0.497 1000 Q N 0.138 119.995 119.800 0.094 0.000 2.306 1000 Q HA 0.621 4.960 4.340 -0.001 0.000 0.241 1000 Q C 0.861 177.025 176.000 0.273 0.000 0.948 1000 Q CA 0.227 56.113 55.803 0.139 0.000 0.886 1000 Q CB 1.263 30.036 28.738 0.058 0.000 1.227 1000 Q HN 0.406 nan 8.270 nan 0.000 0.457 1001 S N 0.856 116.707 115.700 0.251 0.000 2.568 1001 S HA 0.399 4.868 4.470 -0.001 0.000 0.282 1001 S C -0.259 174.555 174.600 0.357 0.000 1.338 1001 S CA -0.020 58.317 58.200 0.229 0.000 1.045 1001 S CB 0.126 63.434 63.200 0.180 0.000 0.873 1001 S HN 0.641 nan 8.310 nan 0.000 0.516 1002 S N 3.190 119.019 115.700 0.215 0.000 2.704 1002 S HA 0.510 4.979 4.470 -0.001 0.000 0.296 1002 S C 0.262 174.885 174.600 0.037 0.000 1.138 1002 S CA -0.959 57.341 58.200 0.167 0.000 0.875 1002 S CB 1.193 64.260 63.200 -0.222 0.000 1.151 1002 S HN 0.720 nan 8.310 nan 0.000 0.500 1003 K N 0.114 120.522 120.400 0.014 0.000 2.504 1003 K HA 0.089 4.408 4.320 -0.001 0.000 0.195 1003 K C 1.564 178.083 176.600 -0.135 0.000 1.036 1003 K CA 0.844 57.127 56.287 -0.008 0.000 0.984 1003 K CB -0.357 32.166 32.500 0.037 0.000 0.788 1003 K HN 0.668 nan 8.250 nan 0.000 0.488 1004 A N 0.918 123.504 122.820 -0.389 0.000 2.218 1004 A HA 0.033 4.353 4.320 -0.001 0.000 0.209 1004 A C 0.715 178.161 177.584 -0.230 0.000 1.168 1004 A CA 0.211 51.837 52.037 -0.684 0.000 0.804 1004 A CB 0.054 18.282 19.000 -1.287 0.000 0.834 1004 A HN 0.059 nan 8.150 nan 0.000 0.482 1005 T N 3.662 118.155 114.554 -0.101 0.000 2.870 1005 T HA 0.343 4.693 4.350 -0.001 0.000 0.300 1005 T C -2.370 172.376 174.700 0.077 0.000 0.989 1005 T CA -0.631 61.478 62.100 0.014 0.000 1.139 1005 T CB 1.032 69.919 68.868 0.031 0.000 0.920 1005 T HN 0.279 nan 8.240 nan 0.000 0.537 1006 P HA 0.179 nan 4.420 nan 0.000 0.278 1006 P C -0.288 177.162 177.300 0.250 0.000 1.258 1006 P CA -0.548 62.701 63.100 0.248 0.000 0.811 1006 P CB 0.406 32.383 31.700 0.461 0.000 1.063 1007 T N 0.949 115.641 114.554 0.231 0.000 2.933 1007 T HA 0.247 4.597 4.350 -0.001 0.000 0.306 1007 T C 1.491 176.371 174.700 0.299 0.000 1.045 1007 T CA 1.912 64.136 62.100 0.206 0.000 1.143 1007 T CB -0.706 68.261 68.868 0.166 0.000 1.003 1007 T HN 0.824 nan 8.240 nan 0.000 0.540 1008 G N 2.062 110.998 108.800 0.228 0.000 2.245 1008 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.264 1008 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.264 1008 G C 0.364 175.405 174.900 0.234 0.000 0.985 1008 G CA 0.134 45.393 45.100 0.265 0.000 0.625 1008 G HN 1.241 nan 8.290 nan 0.000 0.536 1009 A N 0.078 122.976 122.820 0.130 0.000 2.477 1009 A HA 0.611 4.931 4.320 -0.001 0.000 0.246 1009 A C 0.572 178.055 177.584 -0.168 0.000 1.078 1009 A CA 0.461 52.303 52.037 -0.325 0.000 0.770 1009 A CB 0.847 19.647 19.000 -0.333 0.000 1.011 1009 A HN 1.136 nan 8.150 nan 0.000 0.494 1010 V N 1.871 121.652 119.914 -0.222 0.000 2.432 1010 V HA 0.633 4.752 4.120 -0.001 0.000 0.275 1010 V C 0.619 176.645 176.094 -0.113 0.000 1.043 1010 V CA 0.723 62.959 62.300 -0.107 0.000 0.925 1010 V CB 0.536 32.315 31.823 -0.072 0.000 0.985 1010 V HN 1.347 nan 8.190 nan 0.000 0.466 1011 A N 5.194 127.973 122.820 -0.069 0.000 2.599 1011 A HA 0.749 5.068 4.320 -0.001 0.000 0.290 1011 A C -1.059 176.476 177.584 -0.081 0.000 1.101 1011 A CA -1.002 50.998 52.037 -0.061 0.000 0.674 1011 A CB 1.347 20.337 19.000 -0.017 0.000 1.277 1011 A HN 0.515 nan 8.150 nan 0.000 0.419 1012 K N 0.431 120.753 120.400 -0.130 0.000 2.451 1012 K HA 0.392 4.712 4.320 -0.001 0.000 0.280 1012 K C -0.549 175.907 176.600 -0.240 0.000 1.020 1012 K CA 0.436 56.516 56.287 -0.345 0.000 1.008 1012 K CB -0.750 31.469 32.500 -0.469 0.000 0.917 1012 K HN 0.884 nan 8.250 nan 0.000 0.478 1013 F N -0.703 119.225 119.950 -0.036 0.000 2.746 1013 F HA -0.304 4.223 4.527 -0.001 0.000 0.315 1013 F C 0.523 176.321 175.800 -0.002 0.000 0.666 1013 F CA 0.765 58.755 58.000 -0.018 0.000 1.381 1013 F CB -1.555 37.432 39.000 -0.022 0.000 1.739 1013 F HN 0.616 nan 8.300 nan 0.000 0.322 1014 A N -0.426 122.437 122.820 0.073 0.000 2.958 1014 A HA 0.777 5.097 4.320 -0.001 0.000 0.214 1014 A C 0.826 178.412 177.584 0.004 0.000 0.902 1014 A CA 0.315 52.383 52.037 0.052 0.000 1.136 1014 A CB -0.280 18.757 19.000 0.061 0.000 1.250 1014 A HN 0.684 nan 8.150 nan 0.000 0.497 1015 A N -0.508 122.302 122.820 -0.018 0.000 2.239 1015 A HA 0.438 4.758 4.320 -0.001 0.000 0.209 1015 A C 1.530 179.123 177.584 0.015 0.000 1.171 1015 A CA 1.423 53.449 52.037 -0.020 0.000 0.768 1015 A CB -0.131 18.843 19.000 -0.043 0.000 0.790 1015 A HN 1.486 nan 8.150 nan 0.000 0.478 1016 A N -1.038 121.773 122.820 -0.016 0.000 2.564 1016 A HA 0.534 4.853 4.320 -0.001 0.000 0.279 1016 A C 0.942 178.515 177.584 -0.018 0.000 1.232 1016 A CA 0.500 52.492 52.037 -0.075 0.000 0.950 1016 A CB -0.664 18.218 19.000 -0.195 0.000 1.138 1016 A HN 1.928 nan 8.150 nan 0.000 0.526 1017 G N 0.262 109.075 108.800 0.021 0.000 3.190 1017 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.686 1017 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.686 1017 G C -0.390 174.538 174.900 0.046 0.000 1.033 1017 G CA -0.224 44.904 45.100 0.047 0.000 0.797 1017 G HN 0.662 nan 8.290 nan 0.000 0.567 1018 K N 1.321 121.756 120.400 0.058 0.000 2.484 1018 K HA 0.204 4.524 4.320 -0.001 0.000 0.280 1018 K C 1.115 177.757 176.600 0.070 0.000 1.013 1018 K CA -0.103 56.223 56.287 0.066 0.000 1.029 1018 K CB 0.262 32.807 32.500 0.076 0.000 0.902 1018 K HN 0.388 nan 8.250 nan 0.000 0.481 1019 R N 2.089 122.622 120.500 0.055 0.000 2.427 1019 R HA 0.070 4.409 4.340 -0.001 0.000 0.262 1019 R C -0.156 176.172 176.300 0.046 0.000 0.943 1019 R CA 0.120 56.248 56.100 0.047 0.000 1.081 1019 R CB 0.031 30.349 30.300 0.030 0.000 1.166 1019 R HN 0.761 nan 8.270 nan 0.000 0.534 1020 T N -3.111 111.475 114.554 0.053 0.000 2.907 1020 T HA 0.688 5.037 4.350 -0.001 0.000 0.292 1020 T C 0.521 175.254 174.700 0.056 0.000 1.043 1020 T CA -0.795 61.333 62.100 0.045 0.000 1.003 1020 T CB 2.751 71.641 68.868 0.038 0.000 1.084 1020 T HN 0.076 nan 8.240 nan 0.000 0.483 1021 G N 0.680 109.509 108.800 0.048 0.000 2.634 1021 G HA2 0.396 4.355 3.960 -0.001 0.000 0.255 1021 G HA3 0.396 4.355 3.960 -0.001 0.000 0.255 1021 G C -0.338 174.588 174.900 0.043 0.000 1.205 1021 G CA -0.889 44.243 45.100 0.053 0.000 0.884 1021 G HN 0.967 nan 8.290 nan 0.000 0.549 1022 K N 0.356 120.783 120.400 0.044 0.000 2.412 1022 K HA 0.070 4.389 4.320 -0.001 0.000 0.281 1022 K C 0.579 177.200 176.600 0.035 0.000 1.027 1022 K CA -0.288 56.017 56.287 0.030 0.000 0.989 1022 K CB 0.389 32.906 32.500 0.029 0.000 0.935 1022 K HN 0.464 nan 8.250 nan 0.000 0.475 1023 K N 3.636 124.072 120.400 0.060 0.000 2.451 1023 K HA -0.088 4.231 4.320 -0.001 0.000 0.280 1023 K C -0.372 176.292 176.600 0.107 0.000 1.020 1023 K CA 0.015 56.347 56.287 0.074 0.000 1.008 1023 K CB 0.525 33.091 32.500 0.109 0.000 0.917 1023 K HN 0.507 nan 8.250 nan 0.000 0.478 1024 D N 5.577 125.972 120.400 -0.008 0.000 2.631 1024 D HA 0.005 4.644 4.640 -0.001 0.000 0.227 1024 D C 1.021 177.253 176.300 -0.114 0.000 1.146 1024 D CA -0.195 53.779 54.000 -0.043 0.000 1.009 1024 D CB 0.193 40.942 40.800 -0.085 0.000 1.057 1024 D HN 0.567 nan 8.370 nan 0.000 0.509 1025 L N 3.018 124.131 121.223 -0.182 0.000 2.043 1025 L HA -0.174 4.166 4.340 -0.001 0.000 0.212 1025 L C 2.060 178.813 176.870 -0.194 0.000 1.075 1025 L CA 2.318 56.943 54.840 -0.359 0.000 0.752 1025 L CB -0.577 40.974 42.059 -0.847 0.000 0.891 1025 L HN 0.267 nan 8.230 nan 0.000 0.432 1026 A N -0.266 122.488 122.820 -0.111 0.000 1.865 1026 A HA -0.242 4.077 4.320 -0.001 0.000 0.217 1026 A C 2.402 179.942 177.584 -0.074 0.000 1.191 1026 A CA 2.037 54.069 52.037 -0.008 0.000 0.623 1026 A CB -0.628 18.489 19.000 0.195 0.000 0.826 1026 A HN 0.540 nan 8.150 nan 0.000 0.444 1027 R N -1.169 119.253 120.500 -0.130 0.000 2.148 1027 R HA -0.007 4.332 4.340 -0.001 0.000 0.227 1027 R C 2.160 178.322 176.300 -0.231 0.000 1.103 1027 R CA 1.391 57.352 56.100 -0.232 0.000 0.983 1027 R CB -0.380 29.768 30.300 -0.254 0.000 0.874 1027 R HN 0.583 nan 8.270 nan 0.000 0.451 1028 M N 0.345 119.837 119.600 -0.179 0.000 2.132 1028 M HA -0.123 4.356 4.480 -0.001 0.000 0.263 1028 M C 2.389 178.580 176.300 -0.182 0.000 1.065 1028 M CA 1.430 56.628 55.300 -0.169 0.000 1.122 1028 M CB -0.147 32.390 32.600 -0.104 0.000 1.365 1028 M HN 0.065 nan 8.290 nan 0.000 0.411 1029 V N -2.467 117.378 119.914 -0.116 0.000 2.591 1029 V HA -0.124 3.995 4.120 -0.001 0.000 0.249 1029 V C 1.973 177.982 176.094 -0.142 0.000 1.053 1029 V CA 1.280 63.561 62.300 -0.031 0.000 1.068 1029 V CB -0.859 30.969 31.823 0.009 0.000 0.689 1029 V HN 0.449 nan 8.190 nan 0.000 0.462 1030 M N 1.964 121.386 119.600 -0.296 0.000 2.446 1030 M HA -0.096 4.384 4.480 -0.001 0.000 0.263 1030 M C 2.239 178.215 176.300 -0.540 0.000 1.066 1030 M CA 1.921 56.873 55.300 -0.579 0.000 1.087 1030 M CB -0.639 31.537 32.600 -0.707 0.000 1.406 1030 M HN 0.745 nan 8.290 nan 0.000 0.459 1031 T N -2.455 111.855 114.554 -0.407 0.000 3.007 1031 T HA -0.147 4.202 4.350 -0.001 0.000 0.270 1031 T C 1.388 175.872 174.700 -0.360 0.000 1.107 1031 T CA 0.925 62.798 62.100 -0.378 0.000 1.118 1031 T CB -0.478 68.156 68.868 -0.391 0.000 0.889 1031 T HN 0.328 nan 8.240 nan 0.000 0.506 1032 Y N 2.026 122.129 120.300 -0.329 0.000 2.293 1032 Y HA 0.238 4.787 4.550 -0.001 0.000 0.291 1032 Y C 2.564 178.266 175.900 -0.331 0.000 1.137 1032 Y CA 0.529 58.369 58.100 -0.434 0.000 1.202 1032 Y CB -0.755 37.244 38.460 -0.769 0.000 0.990 1032 Y HN 0.450 nan 8.280 nan 0.000 0.537 1033 G N -0.545 108.204 108.800 -0.085 0.000 2.347 1033 G HA2 -0.417 3.543 3.960 -0.001 0.000 0.247 1033 G HA3 -0.417 3.543 3.960 -0.001 0.000 0.247 1033 G C 0.804 175.887 174.900 0.305 0.000 1.037 1033 G CA 0.767 45.967 45.100 0.167 0.000 0.622 1033 G HN 0.586 nan 8.290 nan 0.000 0.521 1034 Y N 0.028 120.497 120.300 0.283 0.000 2.607 1034 Y HA 0.753 5.302 4.550 -0.001 0.000 0.266 1034 Y C 0.322 176.398 175.900 0.294 0.000 1.178 1034 Y CA -0.791 57.494 58.100 0.309 0.000 1.226 1034 Y CB -0.064 38.647 38.460 0.418 0.000 1.144 1034 Y HN 0.223 nan 8.280 nan 0.000 0.528 1035 V N 1.668 121.636 119.914 0.090 0.000 2.459 1035 V HA 0.174 4.294 4.120 -0.001 0.000 0.295 1035 V C -0.861 175.211 176.094 -0.037 0.000 1.029 1035 V CA -1.283 61.077 62.300 0.100 0.000 0.874 1035 V CB 1.226 33.022 31.823 -0.045 0.000 0.985 1035 V HN 0.308 nan 8.190 nan 0.000 0.438 1036 Y N 5.047 125.136 120.300 -0.352 0.000 2.402 1036 Y HA 0.501 5.051 4.550 -0.001 0.000 0.333 1036 Y C -0.270 175.578 175.900 -0.087 0.000 1.076 1036 Y CA 0.197 58.025 58.100 -0.454 0.000 1.299 1036 Y CB 0.926 38.943 38.460 -0.738 0.000 1.197 1036 Y HN 0.416 nan 8.280 nan 0.000 0.517 1037 V N 5.721 125.443 119.914 -0.319 0.000 2.656 1037 V HA 0.900 5.019 4.120 -0.001 0.000 0.307 1037 V C -0.640 175.386 176.094 -0.114 0.000 1.051 1037 V CA -0.477 61.786 62.300 -0.062 0.000 0.893 1037 V CB 1.273 33.110 31.823 0.024 0.000 0.999 1037 V HN 0.943 nan 8.190 nan 0.000 0.426 1038 A N 2.728 125.575 122.820 0.046 0.000 2.594 1038 A HA 0.947 5.266 4.320 -0.001 0.000 0.295 1038 A C -0.433 177.107 177.584 -0.074 0.000 1.071 1038 A CA -0.345 51.691 52.037 -0.002 0.000 0.685 1038 A CB 2.202 21.311 19.000 0.182 0.000 1.285 1038 A HN 0.980 nan 8.150 nan 0.000 0.405 1039 T N -1.100 113.256 114.554 -0.330 0.000 2.887 1039 T HA 0.819 5.169 4.350 -0.001 0.000 0.288 1039 T C -0.148 174.604 174.700 0.086 0.000 1.021 1039 T CA -0.137 61.829 62.100 -0.224 0.000 1.000 1039 T CB 1.033 69.452 68.868 -0.748 0.000 1.034 1039 T HN 2.080 nan 8.240 nan 0.000 0.467 1040 V N -1.616 118.506 119.914 0.346 0.000 3.130 1040 V HA 0.973 5.092 4.120 -0.001 0.000 0.310 1040 V C -0.548 175.805 176.094 0.431 0.000 1.158 1040 V CA -0.876 61.672 62.300 0.415 0.000 1.029 1040 V CB 1.794 33.937 31.823 0.533 0.000 1.057 1040 V HN 1.144 nan 8.190 nan 0.000 0.436 1041 S N 2.217 118.148 115.700 0.386 0.000 2.446 1041 S HA 0.311 4.780 4.470 -0.001 0.000 0.230 1041 S C 0.366 175.142 174.600 0.294 0.000 1.051 1041 S CA -0.008 58.377 58.200 0.309 0.000 1.113 1041 S CB 1.107 64.428 63.200 0.202 0.000 1.184 1041 S HN 1.059 nan 8.310 nan 0.000 0.435 1042 M N 3.968 123.691 119.600 0.204 0.000 2.108 1042 M HA -0.077 4.402 4.480 -0.001 0.000 0.257 1042 M C 1.893 178.245 176.300 0.087 0.000 1.071 1042 M CA 2.673 57.996 55.300 0.038 0.000 1.093 1042 M CB -0.665 31.730 32.600 -0.343 0.000 1.345 1042 M HN 0.791 nan 8.290 nan 0.000 0.403 1043 G N -1.426 107.430 108.800 0.092 0.000 2.448 1043 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.219 1043 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.219 1043 G C 1.160 176.133 174.900 0.121 0.000 1.127 1043 G CA 0.939 46.093 45.100 0.089 0.000 0.766 1043 G HN 0.615 nan 8.290 nan 0.000 0.552 1044 Y N 0.744 121.075 120.300 0.051 0.000 2.201 1044 Y HA 0.328 4.877 4.550 -0.001 0.000 0.292 1044 Y C 1.026 176.957 175.900 0.051 0.000 1.119 1044 Y CA 1.064 59.195 58.100 0.051 0.000 1.127 1044 Y CB 0.326 38.831 38.460 0.075 0.000 1.019 1044 Y HN 0.136 nan 8.280 nan 0.000 0.514 1045 S N -0.181 115.582 115.700 0.104 0.000 2.706 1045 S HA 0.291 4.761 4.470 -0.001 0.000 0.270 1045 S C -0.129 174.542 174.600 0.118 0.000 1.163 1045 S CA -0.791 57.413 58.200 0.007 0.000 1.042 1045 S CB 0.965 64.185 63.200 0.033 0.000 1.079 1045 S HN 0.347 nan 8.310 nan 0.000 0.474 1046 K N 2.562 122.953 120.400 -0.016 0.000 2.217 1046 K HA -0.064 4.256 4.320 -0.001 0.000 0.202 1046 K C 1.591 178.214 176.600 0.038 0.000 1.051 1046 K CA 1.117 57.373 56.287 -0.052 0.000 0.952 1046 K CB -0.011 32.118 32.500 -0.617 0.000 0.736 1046 K HN 0.489 nan 8.250 nan 0.000 0.453 1047 Q N 0.850 120.642 119.800 -0.012 0.000 2.046 1047 Q HA -0.151 4.188 4.340 -0.001 0.000 0.200 1047 Q C 2.141 178.209 176.000 0.113 0.000 0.975 1047 Q CA 1.323 57.137 55.803 0.019 0.000 0.836 1047 Q CB -0.126 28.603 28.738 -0.014 0.000 0.896 1047 Q HN 0.207 nan 8.270 nan 0.000 0.428 1048 Q N -0.478 119.424 119.800 0.169 0.000 2.124 1048 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 1048 Q C 1.914 178.109 176.000 0.325 0.000 0.977 1048 Q CA 1.192 57.132 55.803 0.229 0.000 0.850 1048 Q CB -0.208 28.691 28.738 0.269 0.000 0.901 1048 Q HN 0.419 nan 8.270 nan 0.000 0.429 1049 F N 1.130 121.221 119.950 0.235 0.000 2.102 1049 F HA -0.176 4.350 4.527 -0.001 0.000 0.298 1049 F C 1.985 177.956 175.800 0.285 0.000 1.105 1049 F CA 1.261 59.449 58.000 0.312 0.000 1.239 1049 F CB -0.656 38.577 39.000 0.389 0.000 0.991 1049 F HN 0.037 nan 8.300 nan 0.000 0.474 1050 L N 0.307 121.532 121.223 0.003 0.000 2.046 1050 L HA -0.241 4.098 4.340 -0.001 0.000 0.208 1050 L C 2.657 179.517 176.870 -0.017 0.000 1.077 1050 L CA 1.874 56.639 54.840 -0.126 0.000 0.747 1050 L CB -0.805 41.257 42.059 0.004 0.000 0.896 1050 L HN 0.150 nan 8.230 nan 0.000 0.432 1051 K N 0.148 120.590 120.400 0.071 0.000 2.057 1051 K HA -0.168 4.152 4.320 -0.001 0.000 0.207 1051 K C 2.027 178.710 176.600 0.138 0.000 1.049 1051 K CA 1.460 57.806 56.287 0.099 0.000 0.931 1051 K CB -0.007 32.561 32.500 0.114 0.000 0.714 1051 K HN 0.072 nan 8.250 nan 0.000 0.440 1052 V N 1.878 121.908 119.914 0.194 0.000 2.343 1052 V HA -0.258 3.862 4.120 -0.001 0.000 0.247 1052 V C 2.355 178.582 176.094 0.221 0.000 1.051 1052 V CA 1.570 64.037 62.300 0.277 0.000 1.036 1052 V CB -0.331 31.727 31.823 0.392 0.000 0.654 1052 V HN 0.339 nan 8.190 nan 0.000 0.451 1053 L N -0.211 121.107 121.223 0.158 0.000 2.012 1053 L HA -0.256 4.084 4.340 -0.001 0.000 0.210 1053 L C 2.606 179.679 176.870 0.338 0.000 1.073 1053 L CA 2.234 57.231 54.840 0.261 0.000 0.748 1053 L CB -0.700 41.408 42.059 0.082 0.000 0.891 1053 L HN 0.330 nan 8.230 nan 0.000 0.431 1054 K N 0.428 120.971 120.400 0.238 0.000 2.032 1054 K HA -0.223 4.096 4.320 -0.001 0.000 0.209 1054 K C 1.944 178.613 176.600 0.114 0.000 1.048 1054 K CA 1.768 58.196 56.287 0.235 0.000 0.927 1054 K CB -0.013 32.569 32.500 0.136 0.000 0.712 1054 K HN 0.338 nan 8.250 nan 0.000 0.441 1055 E N -0.161 120.054 120.200 0.024 0.000 2.072 1055 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 1055 E C 2.002 178.297 176.600 -0.509 0.000 0.985 1055 E CA 0.998 57.319 56.400 -0.132 0.000 0.801 1055 E CB -0.101 29.587 29.700 -0.020 0.000 0.750 1055 E HN 0.443 nan 8.360 nan 0.000 0.452 1056 A N 1.643 124.091 122.820 -0.621 0.000 1.855 1056 A HA -0.207 4.112 4.320 -0.001 0.000 0.215 1056 A C 2.159 179.570 177.584 -0.287 0.000 1.191 1056 A CA 1.254 52.857 52.037 -0.724 0.000 0.613 1056 A CB -0.350 18.509 19.000 -0.234 0.000 0.829 1056 A HN 0.093 nan 8.150 nan 0.000 0.442 1057 E N 0.691 120.799 120.200 -0.152 0.000 2.110 1057 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 1057 E C 2.262 178.797 176.600 -0.109 0.000 0.988 1057 E CA 1.612 57.882 56.400 -0.218 0.000 0.804 1057 E CB -0.211 29.259 29.700 -0.382 0.000 0.745 1057 E HN 0.672 nan 8.360 nan 0.000 0.458 1058 S N -0.293 115.397 115.700 -0.017 0.000 2.489 1058 S HA -0.055 4.415 4.470 -0.001 0.000 0.228 1058 S C 0.840 175.478 174.600 0.063 0.000 0.995 1058 S CA -0.422 57.798 58.200 0.034 0.000 0.934 1058 S CB -0.493 62.750 63.200 0.073 0.000 0.771 1058 S HN 0.175 nan 8.310 nan 0.000 0.522 1059 F N 5.768 125.643 119.950 -0.124 0.000 2.571 1059 F HA 0.313 4.840 4.527 -0.001 0.000 0.384 1059 F C -2.189 173.610 175.800 -0.001 0.000 1.058 1059 F CA -2.877 55.086 58.000 -0.061 0.000 1.200 1059 F CB 0.636 39.565 39.000 -0.118 0.000 1.077 1059 F HN 0.048 nan 8.300 nan 0.000 0.558 1060 P HA 0.258 nan 4.420 nan 0.000 0.225 1060 P C -0.158 176.826 177.300 -0.527 0.000 1.768 1060 P CA 0.342 63.232 63.100 -0.350 0.000 0.943 1060 P CB -0.112 31.476 31.700 -0.187 0.000 1.936 1061 G N 1.048 109.491 108.800 -0.595 0.000 2.490 1061 G HA2 0.421 4.381 3.960 -0.001 0.000 0.308 1061 G HA3 0.421 4.381 3.960 -0.001 0.000 0.308 1061 G C -3.575 171.392 174.900 0.112 0.000 1.286 1061 G CA -1.032 43.889 45.100 -0.299 0.000 0.825 1061 G HN -0.170 nan 8.290 nan 0.000 0.479 1062 P HA 0.460 nan 4.420 nan 0.000 0.275 1062 P C -0.692 176.820 177.300 0.352 0.000 1.227 1062 P CA -0.010 63.236 63.100 0.245 0.000 0.781 1062 P CB 1.460 33.263 31.700 0.172 0.000 0.906 1063 S N 2.131 117.952 115.700 0.201 0.000 2.538 1063 S HA 0.588 5.058 4.470 -0.001 0.000 0.288 1063 S C -1.027 173.680 174.600 0.179 0.000 1.108 1063 S CA -0.675 57.653 58.200 0.214 0.000 0.971 1063 S CB 0.872 64.130 63.200 0.097 0.000 1.041 1063 S HN 0.358 nan 8.310 nan 0.000 0.483 1064 L N 3.547 124.912 121.223 0.238 0.000 2.381 1064 L HA 0.730 5.069 4.340 -0.001 0.000 0.274 1064 L C -1.680 175.356 176.870 0.276 0.000 0.988 1064 L CA -0.626 54.344 54.840 0.217 0.000 0.824 1064 L CB 1.440 43.577 42.059 0.130 0.000 1.263 1064 L HN 0.461 nan 8.230 nan 0.000 0.410 1065 V N 6.112 126.223 119.914 0.329 0.000 2.483 1065 V HA 0.469 4.588 4.120 -0.001 0.000 0.297 1065 V C -0.122 176.092 176.094 0.200 0.000 1.027 1065 V CA -0.392 62.128 62.300 0.367 0.000 0.855 1065 V CB 2.053 34.260 31.823 0.641 0.000 0.995 1065 V HN 0.549 nan 8.190 nan 0.000 0.424 1066 I N 4.259 124.911 120.570 0.137 0.000 2.362 1066 I HA 0.742 4.911 4.170 -0.001 0.000 0.289 1066 I C 0.344 176.568 176.117 0.177 0.000 0.994 1066 I CA -0.439 60.922 61.300 0.101 0.000 1.158 1066 I CB 1.759 39.855 38.000 0.161 0.000 1.315 1066 I HN 0.668 nan 8.210 nan 0.000 0.451 1067 A N 5.753 128.504 122.820 -0.116 0.000 2.324 1067 A HA 0.477 4.797 4.320 -0.001 0.000 0.330 1067 A C -1.199 176.207 177.584 -0.296 0.000 1.165 1067 A CA -0.429 51.439 52.037 -0.281 0.000 0.813 1067 A CB 0.703 19.072 19.000 -1.051 0.000 1.197 1067 A HN 0.636 nan 8.150 nan 0.000 0.484 1068 Y N 2.385 122.336 120.300 -0.582 0.000 2.486 1068 Y HA 0.434 4.984 4.550 -0.001 0.000 0.348 1068 Y C 0.364 176.059 175.900 -0.341 0.000 1.000 1068 Y CA -0.143 57.385 58.100 -0.953 0.000 1.253 1068 Y CB 0.324 37.916 38.460 -1.448 0.000 1.140 1068 Y HN 0.767 nan 8.280 nan 0.000 0.526 1069 A N 5.494 127.937 122.820 -0.629 0.000 2.258 1069 A HA 0.488 4.807 4.320 -0.001 0.000 0.316 1069 A C 0.123 177.464 177.584 -0.406 0.000 1.279 1069 A CA -0.376 51.487 52.037 -0.291 0.000 0.876 1069 A CB -0.101 18.811 19.000 -0.147 0.000 1.170 1069 A HN 0.799 nan 8.150 nan 0.000 0.520 1070 T N -0.928 113.497 114.554 -0.215 0.000 2.856 1070 T HA 0.457 4.806 4.350 -0.001 0.000 0.306 1070 T C 0.095 174.742 174.700 -0.089 0.000 1.062 1070 T CA -0.379 61.635 62.100 -0.143 0.000 1.083 1070 T CB 0.955 69.824 68.868 0.001 0.000 0.984 1070 T HN 1.392 nan 8.240 nan 0.000 0.542 1071 C N 2.809 122.072 119.300 -0.062 0.000 3.171 1071 C HA 0.466 4.926 4.460 -0.001 0.000 0.336 1071 C C 1.702 176.681 174.990 -0.018 0.000 1.198 1071 C CA -0.795 58.205 59.018 -0.029 0.000 1.319 1071 C CB -0.035 27.684 27.740 -0.035 0.000 1.682 1071 C HN 1.097 nan 8.230 nan 0.000 0.497 1072 I N 1.505 122.075 120.570 -0.001 0.000 2.315 1072 I HA -0.161 4.008 4.170 -0.001 0.000 0.251 1072 I C 1.712 177.818 176.117 -0.017 0.000 1.125 1072 I CA 2.258 63.557 61.300 -0.003 0.000 1.392 1072 I CB -0.609 37.396 38.000 0.009 0.000 1.065 1072 I HN 0.789 nan 8.210 nan 0.000 0.424 1073 N N 0.936 119.624 118.700 -0.020 0.000 2.272 1073 N HA -0.197 4.542 4.740 -0.001 0.000 0.185 1073 N C 1.770 177.246 175.510 -0.057 0.000 1.014 1073 N CA 1.271 54.300 53.050 -0.035 0.000 0.870 1073 N CB -0.146 38.325 38.487 -0.026 0.000 0.975 1073 N HN 0.622 nan 8.380 nan 0.000 0.433 1074 Q N -0.078 119.689 119.800 -0.056 0.000 2.369 1074 Q HA 0.059 4.399 4.340 -0.001 0.000 0.206 1074 Q C 0.732 176.689 176.000 -0.071 0.000 0.963 1074 Q CA 0.415 56.172 55.803 -0.075 0.000 0.894 1074 Q CB 0.361 29.069 28.738 -0.050 0.000 0.965 1074 Q HN 0.358 nan 8.270 nan 0.000 0.475 1075 G N 1.825 110.595 108.800 -0.049 0.000 2.351 1075 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.297 1075 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.297 1075 G C -0.254 174.626 174.900 -0.032 0.000 1.054 1075 G CA -0.291 44.785 45.100 -0.040 0.000 1.123 1075 G HN 0.254 nan 8.290 nan 0.000 0.512 1076 L N 0.189 121.398 121.223 -0.024 0.000 2.562 1076 L HA 0.120 4.459 4.340 -0.001 0.000 0.271 1076 L C 2.111 178.972 176.870 -0.015 0.000 1.167 1076 L CA 0.026 54.854 54.840 -0.020 0.000 0.917 1076 L CB 0.362 42.419 42.059 -0.003 0.000 1.187 1076 L HN 0.523 nan 8.230 nan 0.000 0.482 1077 R N 3.213 123.702 120.500 -0.019 0.000 2.159 1077 R HA -0.146 4.193 4.340 -0.001 0.000 0.237 1077 R C 1.193 177.490 176.300 -0.005 0.000 1.131 1077 R CA 1.561 57.654 56.100 -0.012 0.000 0.982 1077 R CB 0.186 30.478 30.300 -0.014 0.000 0.868 1077 R HN 0.579 nan 8.270 nan 0.000 0.453 1078 K N -0.727 119.672 120.400 -0.001 0.000 2.373 1078 K HA 0.216 4.536 4.320 -0.001 0.000 0.202 1078 K C -0.283 176.321 176.600 0.008 0.000 1.025 1078 K CA 0.331 56.621 56.287 0.004 0.000 1.115 1078 K CB 1.564 34.069 32.500 0.008 0.000 0.858 1078 K HN 0.369 nan 8.250 nan 0.000 0.525 1079 G N 0.872 109.676 108.800 0.007 0.000 2.576 1079 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.686 1079 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.686 1079 G C 0.156 175.064 174.900 0.014 0.000 1.242 1079 G CA -0.904 44.202 45.100 0.009 0.000 0.819 1079 G HN -0.123 nan 8.290 nan 0.000 0.655 1080 M N 1.161 120.770 119.600 0.014 0.000 2.549 1080 M HA 0.014 4.493 4.480 -0.001 0.000 0.260 1080 M C 2.501 178.814 176.300 0.021 0.000 1.076 1080 M CA 1.815 57.126 55.300 0.018 0.000 1.090 1080 M CB -1.055 31.556 32.600 0.018 0.000 1.418 1080 M HN 1.024 nan 8.290 nan 0.000 0.486 1081 G N 0.148 108.960 108.800 0.020 0.000 2.625 1081 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.214 1081 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.214 1081 G C 1.503 176.418 174.900 0.026 0.000 1.132 1081 G CA 0.349 45.461 45.100 0.021 0.000 0.782 1081 G HN 0.376 nan 8.290 nan 0.000 0.538 1082 K N 0.616 121.034 120.400 0.029 0.000 2.399 1082 K HA 0.218 4.537 4.320 -0.001 0.000 0.204 1082 K C 1.911 178.543 176.600 0.053 0.000 1.023 1082 K CA -0.066 56.244 56.287 0.038 0.000 1.127 1082 K CB 0.606 33.127 32.500 0.035 0.000 0.856 1082 K HN 0.119 nan 8.250 nan 0.000 0.514 1083 S N 1.902 117.631 115.700 0.048 0.000 2.365 1083 S HA -0.182 4.288 4.470 -0.001 0.000 0.225 1083 S C 1.821 176.470 174.600 0.081 0.000 1.039 1083 S CA 1.373 59.612 58.200 0.064 0.000 1.033 1083 S CB -0.011 63.211 63.200 0.037 0.000 0.887 1083 S HN 0.345 nan 8.310 nan 0.000 0.447 1084 Q N 0.640 120.472 119.800 0.052 0.000 2.124 1084 Q HA -0.156 4.183 4.340 -0.001 0.000 0.202 1084 Q C 1.894 177.938 176.000 0.074 0.000 0.977 1084 Q CA 1.429 57.263 55.803 0.053 0.000 0.850 1084 Q CB -0.660 28.096 28.738 0.030 0.000 0.901 1084 Q HN 0.553 nan 8.270 nan 0.000 0.429 1085 D N -0.014 120.428 120.400 0.070 0.000 2.117 1085 D HA -0.109 4.530 4.640 -0.001 0.000 0.198 1085 D C 1.905 178.272 176.300 0.112 0.000 0.982 1085 D CA 0.769 54.815 54.000 0.077 0.000 0.828 1085 D CB 0.189 41.026 40.800 0.062 0.000 0.967 1085 D HN -0.004 nan 8.370 nan 0.000 0.464 1086 V N 0.352 120.350 119.914 0.139 0.000 2.407 1086 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 1086 V C 2.473 178.706 176.094 0.231 0.000 1.055 1086 V CA 1.547 63.983 62.300 0.226 0.000 1.049 1086 V CB -0.449 31.506 31.823 0.220 0.000 0.662 1086 V HN 0.323 nan 8.190 nan 0.000 0.455 1087 M N -0.202 119.508 119.600 0.183 0.000 2.175 1087 M HA -0.163 4.316 4.480 -0.001 0.000 0.264 1087 M C 2.150 178.487 176.300 0.062 0.000 1.063 1087 M CA 1.847 57.222 55.300 0.126 0.000 1.119 1087 M CB -0.643 32.062 32.600 0.175 0.000 1.377 1087 M HN 0.464 nan 8.290 nan 0.000 0.415 1088 N N -0.510 118.257 118.700 0.112 0.000 2.142 1088 N HA -0.137 4.602 4.740 -0.001 0.000 0.186 1088 N C 1.269 176.839 175.510 0.100 0.000 1.023 1088 N CA 1.590 54.737 53.050 0.160 0.000 0.852 1088 N CB 0.199 38.757 38.487 0.119 0.000 0.998 1088 N HN 0.236 nan 8.380 nan 0.000 0.424 1089 T N 0.309 114.884 114.554 0.034 0.000 2.904 1089 T HA 0.046 4.395 4.350 -0.001 0.000 0.267 1089 T C 1.918 176.395 174.700 -0.372 0.000 1.059 1089 T CA 0.828 62.894 62.100 -0.057 0.000 1.137 1089 T CB -0.251 68.667 68.868 0.084 0.000 0.879 1089 T HN 0.378 nan 8.240 nan 0.000 0.467 1090 A N 1.095 123.614 122.820 -0.502 0.000 1.948 1090 A HA -0.090 4.230 4.320 -0.001 0.000 0.220 1090 A C 2.517 179.856 177.584 -0.408 0.000 1.177 1090 A CA 1.551 53.059 52.037 -0.881 0.000 0.636 1090 A CB -0.927 17.569 19.000 -0.840 0.000 0.815 1090 A HN 0.381 nan 8.150 nan 0.000 0.449 1091 V N -0.294 119.470 119.914 -0.250 0.000 2.331 1091 V HA -0.178 3.942 4.120 -0.001 0.000 0.242 1091 V C 2.351 178.284 176.094 -0.270 0.000 1.034 1091 V CA 2.029 64.173 62.300 -0.261 0.000 1.027 1091 V CB -0.641 30.846 31.823 -0.561 0.000 0.667 1091 V HN 0.508 nan 8.190 nan 0.000 0.457 1092 K N 1.204 121.510 120.400 -0.157 0.000 2.103 1092 K HA -0.167 4.153 4.320 -0.001 0.000 0.207 1092 K C 2.276 178.790 176.600 -0.143 0.000 1.048 1092 K CA 1.797 58.036 56.287 -0.080 0.000 0.930 1092 K CB -0.375 32.145 32.500 0.033 0.000 0.716 1092 K HN 0.622 nan 8.250 nan 0.000 0.444 1093 S N -0.512 115.073 115.700 -0.192 0.000 2.481 1093 S HA -0.005 4.465 4.470 -0.001 0.000 0.231 1093 S C 1.537 176.035 174.600 -0.169 0.000 0.996 1093 S CA 0.817 58.906 58.200 -0.184 0.000 0.942 1093 S CB -0.049 62.988 63.200 -0.272 0.000 0.768 1093 S HN 0.482 nan 8.310 nan 0.000 0.520 1094 G N 0.116 108.805 108.800 -0.185 0.000 2.176 1094 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.253 1094 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.253 1094 G C 0.330 175.208 174.900 -0.038 0.000 0.979 1094 G CA 0.397 45.400 45.100 -0.163 0.000 0.641 1094 G HN 0.604 nan 8.290 nan 0.000 0.530 1095 Y N -0.421 119.759 120.300 -0.200 0.000 2.200 1095 Y HA 0.201 4.750 4.550 -0.001 0.000 0.290 1095 Y C 1.323 177.238 175.900 0.026 0.000 1.137 1095 Y CA 1.903 59.927 58.100 -0.127 0.000 1.163 1095 Y CB 0.207 38.449 38.460 -0.363 0.000 0.988 1095 Y HN 0.354 nan 8.280 nan 0.000 0.518 1096 W N 3.652 124.865 121.300 -0.144 0.000 2.433 1096 W HA 0.339 4.999 4.660 -0.001 0.000 0.288 1096 W C -3.028 173.427 176.519 -0.108 0.000 0.986 1096 W CA -2.389 54.868 57.345 -0.148 0.000 1.680 1096 W CB 0.705 30.045 29.460 -0.199 0.000 1.615 1096 W HN -0.027 nan 8.180 nan 0.000 0.416 1097 P HA 0.064 nan 4.420 nan 0.000 0.268 1097 P C -0.331 176.927 177.300 -0.070 0.000 1.205 1097 P CA 0.499 63.640 63.100 0.067 0.000 0.771 1097 P CB 1.017 32.891 31.700 0.291 0.000 0.858 1098 L N 4.453 125.668 121.223 -0.013 0.000 2.309 1098 L HA 0.648 4.987 4.340 -0.001 0.000 0.282 1098 L C -0.071 176.791 176.870 -0.013 0.000 1.036 1098 L CA -0.540 54.236 54.840 -0.107 0.000 0.806 1098 L CB 0.388 42.453 42.059 0.010 0.000 1.220 1098 L HN 0.461 nan 8.230 nan 0.000 0.429 1099 F N 0.627 120.545 119.950 -0.054 0.000 2.773 1099 F HA 0.748 5.275 4.527 -0.001 0.000 0.314 1099 F C -1.197 174.491 175.800 -0.187 0.000 1.160 1099 F CA -1.387 56.486 58.000 -0.211 0.000 0.920 1099 F CB 1.562 40.367 39.000 -0.324 0.000 1.323 1099 F HN 0.233 nan 8.300 nan 0.000 0.457 1100 R N 0.567 121.050 120.500 -0.028 0.000 2.604 1100 R HA 0.446 4.785 4.340 -0.001 0.000 0.281 1100 R C -2.398 173.784 176.300 -0.196 0.000 1.020 1100 R CA -0.941 55.090 56.100 -0.115 0.000 0.899 1100 R CB 2.683 32.913 30.300 -0.117 0.000 1.205 1100 R HN 0.835 nan 8.270 nan 0.000 0.450 1101 Y N 2.168 122.246 120.300 -0.370 0.000 2.388 1101 Y HA 0.273 4.822 4.550 -0.001 0.000 0.328 1101 Y C -1.097 174.455 175.900 -0.580 0.000 0.963 1101 Y CA -0.698 57.231 58.100 -0.284 0.000 1.240 1101 Y CB 1.166 39.563 38.460 -0.106 0.000 1.118 1101 Y HN 0.468 nan 8.280 nan 0.000 0.484 1102 D N 8.449 128.435 120.400 -0.690 0.000 2.453 1102 D HA 0.329 4.968 4.640 -0.001 0.000 0.238 1102 D C -2.227 173.773 176.300 -0.500 0.000 1.088 1102 D CA -2.511 51.188 54.000 -0.502 0.000 0.854 1102 D CB 2.288 42.981 40.800 -0.179 0.000 1.076 1102 D HN 0.302 nan 8.370 nan 0.000 0.533 1103 P HA -0.137 nan 4.420 nan 0.000 0.218 1103 P C 1.201 178.378 177.300 -0.206 0.000 1.146 1103 P CA 0.992 63.849 63.100 -0.405 0.000 0.813 1103 P CB 0.133 31.476 31.700 -0.595 0.000 0.778 1104 R N -0.568 119.894 120.500 -0.064 0.000 2.236 1104 R HA 0.041 4.380 4.340 -0.001 0.000 0.208 1104 R C 1.858 178.212 176.300 0.091 0.000 1.036 1104 R CA 0.830 57.049 56.100 0.199 0.000 1.001 1104 R CB -1.294 29.182 30.300 0.294 0.000 0.896 1104 R HN 0.244 nan 8.270 nan 0.000 0.464 1105 L N 1.042 122.239 121.223 -0.043 0.000 2.072 1105 L HA -0.023 4.316 4.340 -0.001 0.000 0.205 1105 L C 2.827 179.621 176.870 -0.127 0.000 1.079 1105 L CA 1.191 55.969 54.840 -0.104 0.000 0.752 1105 L CB -0.544 41.398 42.059 -0.196 0.000 0.906 1105 L HN 0.298 nan 8.230 nan 0.000 0.436 1106 A N 0.270 123.020 122.820 -0.116 0.000 1.902 1106 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 1106 A C 2.482 180.118 177.584 0.086 0.000 1.181 1106 A CA 1.650 53.664 52.037 -0.037 0.000 0.623 1106 A CB -0.699 18.342 19.000 0.068 0.000 0.818 1106 A HN 0.398 nan 8.150 nan 0.000 0.443 1107 A N -0.136 122.776 122.820 0.154 0.000 2.131 1107 A HA -0.144 4.175 4.320 -0.001 0.000 0.220 1107 A C 1.729 179.377 177.584 0.107 0.000 1.158 1107 A CA 1.517 53.662 52.037 0.179 0.000 0.665 1107 A CB -0.501 18.659 19.000 0.267 0.000 0.795 1107 A HN 0.816 nan 8.150 nan 0.000 0.460 1108 Q N -2.137 117.699 119.800 0.061 0.000 2.211 1108 Q HA 0.446 4.786 4.340 -0.001 0.000 0.301 1108 Q C 0.615 176.621 176.000 0.011 0.000 0.884 1108 Q CA 0.036 55.860 55.803 0.036 0.000 1.115 1108 Q CB -0.422 28.330 28.738 0.023 0.000 1.217 1108 Q HN 0.763 nan 8.270 nan 0.000 0.451 1109 G N 1.540 110.367 108.800 0.046 0.000 2.233 1109 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.270 1109 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.270 1109 G C -0.281 174.550 174.900 -0.116 0.000 1.011 1109 G CA 0.775 45.932 45.100 0.095 0.000 0.762 1109 G HN 0.409 nan 8.290 nan 0.000 0.511 1110 K N -0.429 119.739 120.400 -0.387 0.000 2.267 1110 K HA 0.364 4.684 4.320 -0.001 0.000 0.246 1110 K C -0.118 175.756 176.600 -1.211 0.000 0.954 1110 K CA -1.097 54.801 56.287 -0.648 0.000 0.824 1110 K CB 0.874 33.187 32.500 -0.312 0.000 1.167 1110 K HN 0.047 nan 8.250 nan 0.000 0.431 1111 N N 3.276 121.262 118.700 -1.191 0.000 2.452 1111 N HA 0.021 4.760 4.740 -0.001 0.000 0.266 1111 N C -1.671 173.586 175.510 -0.421 0.000 1.209 1111 N CA -1.482 51.077 53.050 -0.820 0.000 0.929 1111 N CB 0.856 39.230 38.487 -0.189 0.000 1.063 1111 N HN 0.342 nan 8.380 nan 0.000 0.472 1112 P HA -0.091 nan 4.420 nan 0.000 0.221 1112 P C 0.285 177.293 177.300 -0.487 0.000 1.150 1112 P CA 0.589 63.361 63.100 -0.547 0.000 0.800 1112 P CB 0.111 31.272 31.700 -0.898 0.000 0.787 1113 F N 1.979 121.722 119.950 -0.345 0.000 2.420 1113 F HA 0.280 4.807 4.527 -0.001 0.000 0.352 1113 F C 0.088 175.831 175.800 -0.095 0.000 1.108 1113 F CA -0.278 57.646 58.000 -0.127 0.000 1.162 1113 F CB 0.566 39.575 39.000 0.016 0.000 1.118 1113 F HN -0.166 nan 8.300 nan 0.000 0.510 1114 Q N 6.683 126.030 119.800 -0.754 0.000 2.292 1114 Q HA 0.414 4.754 4.340 -0.001 0.000 0.270 1114 Q C -1.252 174.387 176.000 -0.603 0.000 1.024 1114 Q CA -0.779 54.727 55.803 -0.496 0.000 0.768 1114 Q CB 2.739 31.324 28.738 -0.255 0.000 1.250 1114 Q HN 0.673 nan 8.270 nan 0.000 0.447 1115 L N 2.903 123.900 121.223 -0.376 0.000 2.290 1115 L HA 0.195 4.535 4.340 -0.001 0.000 0.284 1115 L C 0.059 176.916 176.870 -0.022 0.000 1.078 1115 L CA 0.054 54.787 54.840 -0.178 0.000 0.815 1115 L CB 0.760 42.781 42.059 -0.064 0.000 1.162 1115 L HN 0.760 nan 8.230 nan 0.000 0.435 1116 D N 0.658 121.086 120.400 0.046 0.000 2.379 1116 D HA 0.057 4.697 4.640 -0.001 0.000 0.208 1116 D C 0.551 176.963 176.300 0.187 0.000 1.065 1116 D CA 0.330 54.397 54.000 0.111 0.000 0.848 1116 D CB 0.663 41.536 40.800 0.121 0.000 0.949 1116 D HN 0.538 nan 8.370 nan 0.000 0.509 1117 S N -0.723 115.079 115.700 0.170 0.000 2.726 1117 S HA 0.666 5.135 4.470 -0.001 0.000 0.308 1117 S C -0.097 174.658 174.600 0.259 0.000 1.115 1117 S CA -0.832 57.454 58.200 0.143 0.000 0.965 1117 S CB 2.504 65.633 63.200 -0.120 0.000 1.145 1117 S HN -0.243 nan 8.310 nan 0.000 0.532 1118 K N 0.179 120.670 120.400 0.152 0.000 2.168 1118 K HA 0.759 5.078 4.320 -0.001 0.000 0.239 1118 K C 0.034 176.444 176.600 -0.317 0.000 0.999 1118 K CA -0.663 55.687 56.287 0.105 0.000 0.900 1118 K CB 0.866 33.404 32.500 0.063 0.000 1.111 1118 K HN 0.830 nan 8.250 nan 0.000 0.452 1119 A N 1.778 124.336 122.820 -0.437 0.000 2.507 1119 A HA 0.167 4.486 4.320 -0.001 0.000 0.235 1119 A C -2.147 175.051 177.584 -0.644 0.000 1.070 1119 A CA -0.774 50.666 52.037 -0.994 0.000 0.768 1119 A CB -0.750 18.059 19.000 -0.319 0.000 1.011 1119 A HN 0.403 nan 8.150 nan 0.000 0.502 1120 P HA -0.017 nan 4.420 nan 0.000 0.260 1120 P C -0.244 176.937 177.300 -0.198 0.000 1.172 1120 P CA 0.754 63.654 63.100 -0.332 0.000 0.760 1120 P CB 0.432 31.985 31.700 -0.245 0.000 0.773 1121 D N 2.168 122.484 120.400 -0.140 0.000 2.340 1121 D HA 0.074 4.713 4.640 -0.001 0.000 0.220 1121 D C 1.286 177.552 176.300 -0.055 0.000 1.039 1121 D CA 0.514 54.465 54.000 -0.082 0.000 0.866 1121 D CB -0.518 40.250 40.800 -0.054 0.000 0.913 1121 D HN 0.521 nan 8.370 nan 0.000 0.523 1122 G N -0.017 108.747 108.800 -0.059 0.000 2.141 1122 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.231 1122 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.231 1122 G C 0.854 175.744 174.900 -0.017 0.000 0.984 1122 G CA 0.496 45.577 45.100 -0.032 0.000 0.660 1122 G HN 0.718 nan 8.290 nan 0.000 0.525 1123 S N -0.661 115.026 115.700 -0.021 0.000 2.557 1123 S HA 0.313 4.783 4.470 -0.001 0.000 0.223 1123 S C 2.294 176.910 174.600 0.026 0.000 0.969 1123 S CA 1.164 59.366 58.200 0.003 0.000 0.927 1123 S CB 0.417 63.620 63.200 0.005 0.000 0.806 1123 S HN 1.571 nan 8.310 nan 0.000 0.489 1124 V N 0.132 120.053 119.914 0.012 0.000 2.324 1124 V HA -0.215 3.905 4.120 -0.001 0.000 0.250 1124 V C 2.495 178.625 176.094 0.060 0.000 1.060 1124 V CA 2.326 64.656 62.300 0.051 0.000 1.042 1124 V CB -1.323 30.526 31.823 0.043 0.000 0.650 1124 V HN 0.523 nan 8.190 nan 0.000 0.450 1125 E N 2.188 122.402 120.200 0.023 0.000 2.058 1125 E HA -0.292 4.057 4.350 -0.001 0.000 0.194 1125 E C 2.186 178.784 176.600 -0.005 0.000 0.997 1125 E CA 2.330 58.730 56.400 -0.001 0.000 0.801 1125 E CB -0.543 29.161 29.700 0.006 0.000 0.746 1125 E HN 0.929 nan 8.360 nan 0.000 0.450 1126 E N -0.720 119.493 120.200 0.022 0.000 2.106 1126 E HA -0.193 4.156 4.350 -0.001 0.000 0.192 1126 E C 2.130 178.742 176.600 0.020 0.000 0.984 1126 E CA 0.976 57.387 56.400 0.019 0.000 0.806 1126 E CB -0.706 29.013 29.700 0.032 0.000 0.750 1126 E HN 0.365 nan 8.360 nan 0.000 0.458 1127 F N 2.341 122.227 119.950 -0.106 0.000 2.069 1127 F HA -0.137 4.389 4.527 -0.001 0.000 0.298 1127 F C 1.926 177.612 175.800 -0.189 0.000 1.113 1127 F CA 1.574 59.484 58.000 -0.149 0.000 1.214 1127 F CB -0.235 38.639 39.000 -0.210 0.000 0.978 1127 F HN -0.060 nan 8.300 nan 0.000 0.474 1128 L N -0.493 120.504 121.223 -0.377 0.000 1.994 1128 L HA -0.247 4.093 4.340 -0.001 0.000 0.208 1128 L C 2.509 179.238 176.870 -0.236 0.000 1.071 1128 L CA 1.155 55.627 54.840 -0.614 0.000 0.745 1128 L CB -0.779 40.889 42.059 -0.652 0.000 0.892 1128 L HN 0.170 nan 8.230 nan 0.000 0.431 1129 M N -0.307 119.220 119.600 -0.122 0.000 2.539 1129 M HA -0.082 4.397 4.480 -0.001 0.000 0.261 1129 M C 2.091 178.371 176.300 -0.035 0.000 1.069 1129 M CA 1.055 56.337 55.300 -0.030 0.000 1.081 1129 M CB -1.138 31.453 32.600 -0.015 0.000 1.412 1129 M HN 0.282 nan 8.290 nan 0.000 0.482 1130 A N -0.227 122.540 122.820 -0.090 0.000 2.238 1130 A HA 0.046 4.365 4.320 -0.001 0.000 0.208 1130 A C 0.647 178.184 177.584 -0.078 0.000 1.177 1130 A CA 0.191 52.182 52.037 -0.077 0.000 0.804 1130 A CB -0.070 18.879 19.000 -0.085 0.000 0.823 1130 A HN 0.524 nan 8.150 nan 0.000 0.482 1131 Q N -0.542 119.222 119.800 -0.059 0.000 2.330 1131 Q HA 0.256 4.595 4.340 -0.001 0.000 0.269 1131 Q C 0.259 176.271 176.000 0.020 0.000 1.022 1131 Q CA -0.609 55.181 55.803 -0.021 0.000 0.796 1131 Q CB 1.400 30.137 28.738 -0.002 0.000 1.271 1131 Q HN 0.446 nan 8.270 nan 0.000 0.450 1132 N N 2.333 121.020 118.700 -0.022 0.000 2.272 1132 N HA -0.198 4.541 4.740 -0.001 0.000 0.185 1132 N C 1.389 176.860 175.510 -0.064 0.000 1.014 1132 N CA 1.158 54.191 53.050 -0.029 0.000 0.870 1132 N CB 0.320 38.785 38.487 -0.038 0.000 0.975 1132 N HN 0.556 nan 8.380 nan 0.000 0.433 1133 R N -0.988 119.423 120.500 -0.149 0.000 2.241 1133 R HA -0.084 4.256 4.340 -0.001 0.000 0.224 1133 R C 1.096 177.150 176.300 -0.409 0.000 1.101 1133 R CA 1.226 57.143 56.100 -0.304 0.000 0.995 1133 R CB -0.417 29.618 30.300 -0.442 0.000 0.870 1133 R HN 0.243 nan 8.270 nan 0.000 0.463 1134 F N 0.388 120.322 119.950 -0.027 0.000 2.490 1134 F HA 0.378 4.904 4.527 -0.001 0.000 0.280 1134 F C 2.685 178.482 175.800 -0.005 0.000 1.030 1134 F CA 0.250 58.244 58.000 -0.009 0.000 1.367 1134 F CB -0.214 38.764 39.000 -0.037 0.000 1.131 1134 F HN 0.036 nan 8.300 nan 0.000 0.632 1135 A N 0.376 123.291 122.820 0.159 0.000 1.940 1135 A HA -0.143 4.177 4.320 -0.001 0.000 0.219 1135 A C 2.181 179.793 177.584 0.047 0.000 1.176 1135 A CA 2.022 54.108 52.037 0.081 0.000 0.631 1135 A CB -1.233 17.792 19.000 0.041 0.000 0.814 1135 A HN 0.185 nan 8.150 nan 0.000 0.446 1136 V N 0.023 119.952 119.914 0.025 0.000 2.469 1136 V HA -0.246 3.874 4.120 -0.001 0.000 0.251 1136 V C 2.430 178.538 176.094 0.024 0.000 1.064 1136 V CA 1.723 64.025 62.300 0.003 0.000 1.066 1136 V CB -0.723 31.091 31.823 -0.014 0.000 0.667 1136 V HN 0.603 nan 8.190 nan 0.000 0.461 1137 L N 0.082 121.351 121.223 0.077 0.000 2.093 1137 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 1137 L C 2.250 179.195 176.870 0.125 0.000 1.085 1137 L CA 2.297 57.228 54.840 0.151 0.000 0.755 1137 L CB -0.493 41.672 42.059 0.178 0.000 0.904 1137 L HN 0.433 nan 8.230 nan 0.000 0.435 1138 D N -0.454 120.000 120.400 0.091 0.000 2.219 1138 D HA -0.165 4.475 4.640 -0.001 0.000 0.205 1138 D C 2.248 178.557 176.300 0.015 0.000 0.970 1138 D CA 0.981 55.021 54.000 0.066 0.000 0.851 1138 D CB 0.262 41.098 40.800 0.061 0.000 0.943 1138 D HN 0.172 nan 8.370 nan 0.000 0.488 1139 R N -0.636 119.853 120.500 -0.019 0.000 2.127 1139 R HA 0.048 4.387 4.340 -0.001 0.000 0.217 1139 R C 2.264 178.473 176.300 -0.151 0.000 1.074 1139 R CA 1.177 57.238 56.100 -0.064 0.000 0.991 1139 R CB 0.070 30.335 30.300 -0.058 0.000 0.895 1139 R HN 0.214 nan 8.270 nan 0.000 0.450 1140 S N -0.435 115.118 115.700 -0.245 0.000 2.456 1140 S HA 0.091 4.560 4.470 -0.001 0.000 0.224 1140 S C 0.600 174.635 174.600 -0.942 0.000 1.035 1140 S CA 0.071 57.901 58.200 -0.618 0.000 0.940 1140 S CB 0.243 62.985 63.200 -0.763 0.000 0.799 1140 S HN 0.157 nan 8.310 nan 0.000 0.508 1141 F N 2.282 122.243 119.950 0.018 0.000 2.708 1141 F HA 0.435 4.961 4.527 -0.001 0.000 0.344 1141 F C -2.059 173.757 175.800 0.027 0.000 1.447 1141 F CA -2.068 55.946 58.000 0.022 0.000 1.140 1141 F CB 1.516 40.531 39.000 0.025 0.000 1.657 1141 F HN -0.036 nan 8.300 nan 0.000 0.598 1142 P HA -0.226 nan 4.420 nan 0.000 0.217 1142 P C 0.992 178.349 177.300 0.096 0.000 1.151 1142 P CA 1.805 64.955 63.100 0.084 0.000 0.849 1142 P CB 0.503 32.229 31.700 0.043 0.000 0.787 1143 E N -0.177 120.086 120.200 0.106 0.000 2.015 1143 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 1143 E C 1.935 178.587 176.600 0.087 0.000 0.991 1143 E CA 1.241 57.692 56.400 0.085 0.000 0.802 1143 E CB -0.420 29.327 29.700 0.078 0.000 0.759 1143 E HN 0.221 nan 8.360 nan 0.000 0.447 1144 D N 0.617 121.081 120.400 0.107 0.000 2.123 1144 D HA -0.156 4.483 4.640 -0.001 0.000 0.196 1144 D C 1.852 178.212 176.300 0.099 0.000 0.992 1144 D CA 1.346 55.396 54.000 0.082 0.000 0.833 1144 D CB -0.402 40.430 40.800 0.054 0.000 0.954 1144 D HN 0.173 nan 8.370 nan 0.000 0.455 1145 A N 1.037 123.938 122.820 0.135 0.000 1.865 1145 A HA -0.266 4.054 4.320 -0.001 0.000 0.217 1145 A C 2.092 179.739 177.584 0.105 0.000 1.191 1145 A CA 2.253 54.371 52.037 0.136 0.000 0.623 1145 A CB -0.661 18.426 19.000 0.146 0.000 0.826 1145 A HN 0.234 nan 8.150 nan 0.000 0.444 1146 K N -0.564 119.886 120.400 0.085 0.000 2.044 1146 K HA -0.216 4.104 4.320 -0.001 0.000 0.210 1146 K C 2.403 179.040 176.600 0.060 0.000 1.049 1146 K CA 1.926 58.251 56.287 0.064 0.000 0.927 1146 K CB -0.203 32.329 32.500 0.053 0.000 0.713 1146 K HN 0.308 nan 8.250 nan 0.000 0.443 1147 R N 0.581 121.117 120.500 0.060 0.000 2.092 1147 R HA 0.015 4.355 4.340 -0.001 0.000 0.231 1147 R C 2.276 178.612 176.300 0.060 0.000 1.119 1147 R CA 1.497 57.627 56.100 0.050 0.000 0.970 1147 R CB -1.028 29.297 30.300 0.041 0.000 0.864 1147 R HN 0.434 nan 8.270 nan 0.000 0.440 1148 L N -0.062 121.209 121.223 0.080 0.000 2.156 1148 L HA 0.071 4.410 4.340 -0.001 0.000 0.208 1148 L C 2.985 179.922 176.870 0.112 0.000 1.095 1148 L CA 1.652 56.553 54.840 0.102 0.000 0.770 1148 L CB -0.414 41.722 42.059 0.129 0.000 0.914 1148 L HN 0.260 nan 8.230 nan 0.000 0.439 1149 R N -0.162 120.396 120.500 0.096 0.000 2.115 1149 R HA -0.045 4.295 4.340 -0.001 0.000 0.226 1149 R C 2.391 178.728 176.300 0.063 0.000 1.100 1149 R CA 1.060 57.198 56.100 0.063 0.000 0.980 1149 R CB -0.334 29.986 30.300 0.034 0.000 0.875 1149 R HN 0.310 nan 8.270 nan 0.000 0.445 1150 A N 1.128 123.987 122.820 0.065 0.000 1.930 1150 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 1150 A C 2.100 179.739 177.584 0.092 0.000 1.175 1150 A CA 1.195 53.273 52.037 0.067 0.000 0.627 1150 A CB -0.413 18.617 19.000 0.050 0.000 0.815 1150 A HN 0.325 nan 8.150 nan 0.000 0.443 1151 Q N -0.296 119.556 119.800 0.086 0.000 2.084 1151 Q HA -0.123 4.217 4.340 -0.001 0.000 0.202 1151 Q C 1.940 178.025 176.000 0.142 0.000 0.978 1151 Q CA 1.830 57.695 55.803 0.102 0.000 0.844 1151 Q CB -0.189 28.596 28.738 0.078 0.000 0.898 1151 Q HN 0.403 nan 8.270 nan 0.000 0.426 1152 V N 0.897 120.889 119.914 0.131 0.000 2.343 1152 V HA -0.274 3.846 4.120 -0.001 0.000 0.247 1152 V C 2.323 178.493 176.094 0.125 0.000 1.051 1152 V CA 1.788 64.174 62.300 0.142 0.000 1.036 1152 V CB -0.946 30.974 31.823 0.161 0.000 0.654 1152 V HN 0.518 nan 8.190 nan 0.000 0.451 1153 A N -1.121 121.766 122.820 0.111 0.000 1.972 1153 A HA -0.271 4.049 4.320 -0.001 0.000 0.219 1153 A C 2.255 179.890 177.584 0.086 0.000 1.169 1153 A CA 1.877 53.965 52.037 0.086 0.000 0.635 1153 A CB -0.758 18.284 19.000 0.071 0.000 0.810 1153 A HN 0.706 nan 8.150 nan 0.000 0.446 1154 H N -0.084 119.007 119.070 0.035 0.000 2.372 1154 H HA -0.012 4.543 4.556 -0.001 0.000 0.301 1154 H C 1.807 177.152 175.328 0.028 0.000 1.065 1154 H CA 1.594 57.659 56.048 0.029 0.000 1.364 1154 H CB 0.045 29.823 29.762 0.026 0.000 1.406 1154 H HN 0.649 nan 8.280 nan 0.000 0.521 1155 E N 0.630 120.904 120.200 0.123 0.000 2.077 1155 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 1155 E C 2.437 179.029 176.600 -0.013 0.000 0.989 1155 E CA 1.449 57.887 56.400 0.062 0.000 0.800 1155 E CB -0.086 29.664 29.700 0.084 0.000 0.746 1155 E HN 0.436 nan 8.360 nan 0.000 0.452 1156 L N -0.045 121.180 121.223 0.003 0.000 2.217 1156 L HA 0.010 4.349 4.340 -0.001 0.000 0.211 1156 L C 1.787 178.662 176.870 0.008 0.000 1.107 1156 L CA 1.815 56.657 54.840 0.003 0.000 0.783 1156 L CB -0.427 41.641 42.059 0.015 0.000 0.919 1156 L HN -0.110 nan 8.230 nan 0.000 0.442 1157 D N 0.252 120.622 120.400 -0.049 0.000 2.123 1157 D HA -0.149 4.491 4.640 -0.001 0.000 0.200 1157 D C 1.979 178.247 176.300 -0.054 0.000 0.976 1157 D CA 1.431 55.397 54.000 -0.056 0.000 0.831 1157 D CB 0.024 40.752 40.800 -0.120 0.000 0.974 1157 D HN 0.144 nan 8.370 nan 0.000 0.469 1158 V N 0.399 120.217 119.914 -0.159 0.000 2.307 1158 V HA -0.171 3.948 4.120 -0.001 0.000 0.245 1158 V C 2.663 178.722 176.094 -0.059 0.000 1.045 1158 V CA 1.935 64.157 62.300 -0.130 0.000 1.024 1158 V CB -0.596 31.125 31.823 -0.169 0.000 0.651 1158 V HN 0.210 nan 8.190 nan 0.000 0.449 1159 R N -0.782 119.691 120.500 -0.044 0.000 2.081 1159 R HA -0.209 4.131 4.340 -0.001 0.000 0.235 1159 R C 2.219 178.505 176.300 -0.023 0.000 1.131 1159 R CA 1.987 58.056 56.100 -0.051 0.000 0.960 1159 R CB -0.405 29.870 30.300 -0.043 0.000 0.856 1159 R HN 0.461 nan 8.270 nan 0.000 0.436 1160 F N 1.439 121.347 119.950 -0.070 0.000 2.186 1160 F HA -0.095 4.432 4.527 -0.001 0.000 0.299 1160 F C 1.778 177.563 175.800 -0.026 0.000 1.090 1160 F CA 1.540 59.518 58.000 -0.036 0.000 1.307 1160 F CB 0.106 39.090 39.000 -0.027 0.000 1.019 1160 F HN -0.065 nan 8.300 nan 0.000 0.489 1161 K N 0.024 120.467 120.400 0.072 0.000 2.148 1161 K HA -0.159 4.161 4.320 -0.001 0.000 0.204 1161 K C 1.886 178.461 176.600 -0.041 0.000 1.050 1161 K CA 1.656 57.957 56.287 0.024 0.000 0.942 1161 K CB -0.250 32.279 32.500 0.048 0.000 0.724 1161 K HN 0.401 nan 8.250 nan 0.000 0.446 1162 E N 0.932 121.074 120.200 -0.096 0.000 2.106 1162 E HA -0.131 4.218 4.350 -0.001 0.000 0.192 1162 E C 2.067 178.519 176.600 -0.246 0.000 0.984 1162 E CA 0.767 57.069 56.400 -0.163 0.000 0.806 1162 E CB -0.062 29.506 29.700 -0.219 0.000 0.750 1162 E HN 0.233 nan 8.360 nan 0.000 0.458 1163 L N 1.018 122.048 121.223 -0.322 0.000 2.027 1163 L HA -0.188 4.151 4.340 -0.001 0.000 0.206 1163 L C 2.352 179.073 176.870 -0.248 0.000 1.074 1163 L CA 1.276 55.875 54.840 -0.400 0.000 0.745 1163 L CB -0.459 41.382 42.059 -0.364 0.000 0.898 1163 L HN 0.117 nan 8.230 nan 0.000 0.433 1164 E N -0.935 119.091 120.200 -0.289 0.000 2.085 1164 E HA -0.265 4.084 4.350 -0.001 0.000 0.194 1164 E C 2.153 178.716 176.600 -0.061 0.000 0.994 1164 E CA 0.998 57.303 56.400 -0.158 0.000 0.801 1164 E CB -0.222 29.394 29.700 -0.141 0.000 0.743 1164 E HN 0.458 nan 8.360 nan 0.000 0.453 1165 H N 0.698 119.669 119.070 -0.164 0.000 2.319 1165 H HA -0.124 4.432 4.556 -0.001 0.000 0.297 1165 H C 2.113 177.346 175.328 -0.158 0.000 1.097 1165 H CA 1.675 57.637 56.048 -0.142 0.000 1.285 1165 H CB -0.046 29.617 29.762 -0.165 0.000 1.368 1165 H HN 0.172 nan 8.280 nan 0.000 0.495 1166 M N -0.479 119.054 119.600 -0.111 0.000 2.159 1166 M HA -0.111 4.369 4.480 -0.001 0.000 0.263 1166 M C 2.727 179.027 176.300 0.001 0.000 1.063 1166 M CA 1.359 56.499 55.300 -0.266 0.000 1.110 1166 M CB -0.167 31.846 32.600 -0.978 0.000 1.374 1166 M HN 0.259 nan 8.290 nan 0.000 0.411 1167 A N 0.198 123.110 122.820 0.153 0.000 2.019 1167 A HA 0.081 4.400 4.320 -0.001 0.000 0.219 1167 A C 1.912 179.579 177.584 0.139 0.000 1.164 1167 A CA 1.673 53.877 52.037 0.278 0.000 0.644 1167 A CB -0.567 18.553 19.000 0.200 0.000 0.805 1167 A HN 0.493 nan 8.150 nan 0.000 0.449 1168 A N -0.888 121.971 122.820 0.066 0.000 2.610 1168 A HA 0.451 4.770 4.320 -0.001 0.000 0.286 1168 A C 0.773 178.378 177.584 0.034 0.000 1.306 1168 A CA 0.429 52.487 52.037 0.035 0.000 0.942 1168 A CB -0.598 18.382 19.000 -0.034 0.000 1.112 1168 A HN 0.272 nan 8.150 nan 0.000 0.527 1169 T N 0.390 114.998 114.554 0.090 0.000 2.910 1169 T HA 0.278 4.627 4.350 -0.001 0.000 0.293 1169 T C 0.944 175.667 174.700 0.037 0.000 1.015 1169 T CA 0.116 62.251 62.100 0.058 0.000 1.094 1169 T CB 0.267 69.180 68.868 0.075 0.000 0.968 1169 T HN 0.543 nan 8.240 nan 0.000 0.521 1170 N N 3.205 121.813 118.700 -0.154 0.000 2.214 1170 N HA 0.217 4.956 4.740 -0.001 0.000 0.214 1170 N C -0.363 174.683 175.510 -0.774 0.000 1.132 1170 N CA -0.121 52.684 53.050 -0.409 0.000 0.856 1170 N CB -0.017 38.335 38.487 -0.224 0.000 1.020 1170 N HN 0.492 nan 8.380 nan 0.000 0.509 1171 I N 1.211 121.455 120.570 -0.542 0.000 2.330 1171 I HA 0.324 4.493 4.170 -0.001 0.000 0.286 1171 I C -1.051 174.940 176.117 -0.210 0.000 1.025 1171 I CA -0.856 60.206 61.300 -0.397 0.000 1.197 1171 I CB 0.350 38.263 38.000 -0.145 0.000 1.358 1171 I HN -0.155 nan 8.210 nan 0.000 0.467 1172 F N 3.869 123.841 119.950 0.037 0.000 2.444 1172 F HA 0.423 4.949 4.527 -0.001 0.000 0.342 1172 F C 0.584 176.427 175.800 0.072 0.000 1.121 1172 F CA -1.434 56.595 58.000 0.048 0.000 0.997 1172 F CB 0.831 39.851 39.000 0.033 0.000 1.130 1172 F HN 0.379 nan 8.300 nan 0.000 0.454 1173 E N 1.237 121.606 120.200 0.282 0.000 2.259 1173 E HA 0.224 4.573 4.350 -0.001 0.000 0.281 1173 E C 0.168 176.921 176.600 0.255 0.000 1.037 1173 E CA -0.378 56.161 56.400 0.231 0.000 0.854 1173 E CB 1.196 31.038 29.700 0.237 0.000 1.051 1173 E HN 0.578 nan 8.360 nan 0.000 0.409 1174 S N 2.877 118.712 115.700 0.225 0.000 2.572 1174 S HA 0.124 4.594 4.470 -0.001 0.000 0.262 1174 S C -0.695 174.113 174.600 0.347 0.000 1.375 1174 S CA -0.037 58.304 58.200 0.234 0.000 0.996 1174 S CB 0.263 63.558 63.200 0.158 0.000 0.892 1174 S HN 0.428 nan 8.310 nan 0.000 0.562 1175 F N 0.781 120.809 119.950 0.130 0.000 2.604 1175 F HA 0.629 5.156 4.527 -0.001 0.000 0.316 1175 F C -1.022 174.832 175.800 0.091 0.000 1.136 1175 F CA -0.305 57.784 58.000 0.148 0.000 0.989 1175 F CB 1.116 40.237 39.000 0.202 0.000 1.258 1175 F HN 0.704 nan 8.300 nan 0.000 0.451 1176 A N 6.468 128.844 122.820 -0.740 0.000 2.466 1176 A HA 0.632 4.951 4.320 -0.001 0.000 0.284 1176 A C -2.466 174.686 177.584 -0.718 0.000 1.049 1176 A CA -1.114 50.510 52.037 -0.689 0.000 0.760 1176 A CB 0.991 19.820 19.000 -0.286 0.000 1.274 1176 A HN 0.574 nan 8.150 nan 0.000 0.412 1177 P HA -0.011 nan 4.420 nan 0.000 0.215 1177 P C 0.925 178.068 177.300 -0.262 0.000 1.157 1177 P CA 2.427 65.275 63.100 -0.420 0.000 0.874 1177 P CB 0.398 31.915 31.700 -0.304 0.000 0.790 1178 A N -3.187 119.500 122.820 -0.221 0.000 3.865 1178 A HA 0.624 4.943 4.320 -0.001 0.000 0.150 1178 A C -0.310 177.198 177.584 -0.127 0.000 0.996 1178 A CA 0.178 52.123 52.037 -0.153 0.000 1.746 1178 A CB -0.070 18.863 19.000 -0.112 0.000 2.443 1178 A HN 0.245 nan 8.150 nan 0.000 1.021 1179 G N -1.254 107.491 108.800 -0.092 0.000 2.980 1179 G HA2 0.569 4.529 3.960 -0.001 0.000 0.255 1179 G HA3 0.569 4.529 3.960 -0.001 0.000 0.255 1179 G C 0.906 175.771 174.900 -0.057 0.000 1.020 1179 G CA 0.793 45.850 45.100 -0.073 0.000 1.230 1179 G HN 2.735 nan 8.290 nan 0.000 0.580 1180 G N 0.391 109.164 108.800 -0.045 0.000 2.451 1180 G HA2 0.554 4.513 3.960 -0.001 0.000 0.083 1180 G HA3 0.554 4.513 3.960 -0.001 0.000 0.083 1180 G C 0.558 175.442 174.900 -0.028 0.000 1.107 1180 G CA 0.994 46.073 45.100 -0.035 0.000 1.117 1180 G HN 1.507 nan 8.290 nan 0.000 0.454 1181 K N -1.297 119.087 120.400 -0.027 0.000 8.366 1181 K HA 0.017 4.336 4.320 -0.001 0.000 0.372 1181 K C 0.889 177.482 176.600 -0.011 0.000 0.837 1181 K CA 1.929 58.205 56.287 -0.019 0.000 1.334 1181 K CB -1.740 30.752 32.500 -0.014 0.000 0.741 1181 K HN 2.859 nan 8.250 nan 0.000 0.960 1182 A N 1.645 124.461 122.820 -0.008 0.000 2.435 1182 A HA -0.079 4.240 4.320 -0.001 0.000 0.686 1182 A C -0.601 176.982 177.584 -0.003 0.000 0.138 1182 A CA 0.971 53.005 52.037 -0.006 0.000 0.025 1182 A CB -0.766 18.229 19.000 -0.008 0.000 3.974 1182 A HN 0.456 nan 8.150 nan 0.000 0.548 1183 D N 0.483 120.882 120.400 -0.001 0.000 2.423 1183 D HA 0.540 5.179 4.640 -0.001 0.000 0.238 1183 D C 0.856 177.155 176.300 -0.002 0.000 1.142 1183 D CA 2.115 56.114 54.000 -0.000 0.000 0.884 1183 D CB 0.660 41.459 40.800 -0.001 0.000 1.199 1183 D HN 2.073 nan 8.370 nan 0.000 0.438 1184 G N 0.009 108.809 108.800 -0.001 0.000 2.484 1184 G HA2 0.364 4.323 3.960 -0.001 0.000 0.685 1184 G HA3 0.364 4.323 3.960 -0.001 0.000 0.685 1184 G C -0.715 174.185 174.900 -0.000 0.000 1.294 1184 G CA -0.390 44.708 45.100 -0.002 0.000 0.879 1184 G HN 0.890 nan 8.290 nan 0.000 0.646 1185 S N -1.780 113.919 115.700 -0.001 0.000 2.661 1185 S HA 0.913 5.382 4.470 -0.001 0.000 0.285 1185 S C -1.026 173.573 174.600 -0.001 0.000 1.138 1185 S CA -0.253 57.949 58.200 0.002 0.000 0.855 1185 S CB 2.377 65.578 63.200 0.002 0.000 1.136 1185 S HN 2.334 nan 8.310 nan 0.000 0.484 1186 V N 0.859 120.776 119.914 0.005 0.000 2.891 1186 V HA 0.513 4.633 4.120 -0.001 0.000 0.304 1186 V C -1.702 174.393 176.094 0.001 0.000 1.171 1186 V CA -0.579 61.720 62.300 -0.002 0.000 0.943 1186 V CB 2.015 33.842 31.823 0.006 0.000 1.037 1186 V HN 1.168 nan 8.190 nan 0.000 0.427 1187 D N 3.346 123.719 120.400 -0.045 0.000 2.302 1187 D HA 0.267 4.907 4.640 -0.001 0.000 0.248 1187 D C 1.066 177.306 176.300 -0.100 0.000 1.094 1187 D CA -0.084 53.846 54.000 -0.117 0.000 0.897 1187 D CB 0.977 41.641 40.800 -0.227 0.000 1.200 1187 D HN 0.502 nan 8.370 nan 0.000 0.429 1188 F N 1.299 121.250 119.950 0.002 0.000 2.494 1188 F HA 0.179 4.705 4.527 -0.001 0.000 0.298 1188 F C 1.627 177.432 175.800 0.009 0.000 1.106 1188 F CA 0.486 58.488 58.000 0.004 0.000 1.452 1188 F CB -0.450 38.552 39.000 0.003 0.000 1.085 1188 F HN 0.299 nan 8.300 nan 0.000 0.569 1189 G N -0.192 108.373 108.800 -0.390 0.000 2.986 1189 G HA2 0.052 4.012 3.960 -0.001 0.000 0.213 1189 G HA3 0.052 4.012 3.960 -0.001 0.000 0.213 1189 G C 0.174 175.014 174.900 -0.100 0.000 1.156 1189 G CA -0.406 44.574 45.100 -0.200 0.000 0.763 1189 G HN 0.374 nan 8.290 nan 0.000 0.547 1190 E N 0.571 120.710 120.200 -0.101 0.000 2.493 1190 E HA 0.329 4.678 4.350 -0.001 0.000 0.255 1190 E C 1.306 177.894 176.600 -0.020 0.000 0.999 1190 E CA 0.539 56.904 56.400 -0.058 0.000 0.934 1190 E CB 0.382 30.051 29.700 -0.051 0.000 0.940 1190 E HN 0.272 nan 8.360 nan 0.000 0.473 1191 G N 2.589 111.378 108.800 -0.019 0.000 2.168 1191 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.263 1191 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.263 1191 G C 0.423 175.331 174.900 0.014 0.000 0.977 1191 G CA 0.072 45.169 45.100 -0.005 0.000 0.659 1191 G HN 0.789 nan 8.290 nan 0.000 0.533 1192 A N -0.351 122.485 122.820 0.026 0.000 2.498 1192 A HA 0.603 4.922 4.320 -0.001 0.000 0.239 1192 A C 1.181 178.803 177.584 0.063 0.000 1.068 1192 A CA 1.161 53.238 52.037 0.068 0.000 0.766 1192 A CB 0.273 19.330 19.000 0.095 0.000 1.003 1192 A HN 0.391 nan 8.150 nan 0.000 0.497 1193 E N 0.587 120.855 120.200 0.114 0.000 2.208 1193 E HA 0.070 4.419 4.350 -0.001 0.000 0.193 1193 E C -0.544 176.001 176.600 -0.093 0.000 0.988 1193 E CA 1.149 57.578 56.400 0.049 0.000 0.828 1193 E CB -0.073 29.729 29.700 0.169 0.000 0.763 1193 E HN 0.633 nan 8.360 nan 0.000 0.478 1194 F N -1.450 118.508 119.950 0.013 0.000 2.631 1194 F HA 0.339 4.865 4.527 -0.002 0.000 0.328 1194 F C 0.016 175.827 175.800 0.019 0.000 1.067 1194 F CA -1.643 56.365 58.000 0.014 0.000 0.969 1194 F CB 0.803 39.813 39.000 0.016 0.000 1.332 1194 F HN -0.298 nan 8.300 nan 0.000 0.490 1195 c N 1.081 119.809 118.600 0.213 0.000 2.634 1195 c HA 0.238 4.807 4.570 -0.001 0.000 0.417 1195 c C 1.339 175.519 174.090 0.149 0.000 1.334 1195 c CA 0.199 56.605 56.329 0.129 0.000 1.829 1195 c CB -0.253 42.319 42.510 0.102 0.000 2.665 1195 c HN 0.844 nan 8.230 nan 0.000 0.614 1196 T N 2.013 116.647 114.554 0.132 0.000 3.040 1196 T HA 0.154 4.503 4.350 -0.001 0.000 0.266 1196 T C 0.524 175.361 174.700 0.228 0.000 1.005 1196 T CA 0.212 62.432 62.100 0.199 0.000 0.906 1196 T CB 0.038 69.065 68.868 0.265 0.000 1.082 1196 T HN 0.638 nan 8.240 nan 0.000 0.531 1197 R N 1.852 122.435 120.500 0.139 0.000 2.795 1197 R HA 0.482 4.821 4.340 -0.001 0.000 0.275 1197 R C -1.153 175.192 176.300 0.076 0.000 0.981 1197 R CA -0.872 55.301 56.100 0.121 0.000 0.917 1197 R CB 1.489 31.842 30.300 0.087 0.000 1.202 1197 R HN 0.203 nan 8.270 nan 0.000 0.469 1198 D N -0.612 119.825 120.400 0.062 0.000 2.478 1198 D HA 0.056 4.695 4.640 -0.001 0.000 0.269 1198 D C -0.068 176.251 176.300 0.032 0.000 1.232 1198 D CA -0.411 53.614 54.000 0.043 0.000 1.059 1198 D CB 0.522 41.343 40.800 0.034 0.000 1.104 1198 D HN 0.300 nan 8.370 nan 0.000 0.566 1199 D N -1.137 119.278 120.400 0.025 0.000 2.319 1199 D HA 0.075 4.715 4.640 -0.001 0.000 0.230 1199 D C -0.049 176.259 176.300 0.014 0.000 1.094 1199 D CA 0.192 54.203 54.000 0.018 0.000 0.856 1199 D CB -0.162 40.648 40.800 0.017 0.000 0.915 1199 D HN 0.257 nan 8.370 nan 0.000 0.517 1200 T N 1.683 116.246 114.554 0.015 0.000 2.913 1200 T HA 0.160 4.509 4.350 -0.001 0.000 0.287 1200 T C -1.291 173.413 174.700 0.007 0.000 1.008 1200 T CA -1.228 60.879 62.100 0.010 0.000 1.067 1200 T CB 2.008 70.882 68.868 0.010 0.000 0.996 1200 T HN -0.030 nan 8.240 nan 0.000 0.513 1201 P HA 0.021 nan 4.420 nan 0.000 0.233 1201 P C 1.242 178.540 177.300 -0.003 0.000 1.167 1201 P CA 0.854 63.952 63.100 -0.003 0.000 0.770 1201 P CB 0.096 31.790 31.700 -0.009 0.000 0.837 1202 M N -1.428 118.171 119.600 -0.001 0.000 2.254 1202 M HA 0.031 4.511 4.480 -0.001 0.000 0.265 1202 M C 2.129 178.437 176.300 0.013 0.000 1.066 1202 M CA 1.540 56.840 55.300 0.001 0.000 1.123 1202 M CB -0.437 32.163 32.600 -0.001 0.000 1.388 1202 M HN -0.115 nan 8.290 nan 0.000 0.425 1203 M N -0.343 119.270 119.600 0.022 0.000 2.441 1203 M HA 0.224 4.704 4.480 -0.001 0.000 0.244 1203 M C 0.622 176.938 176.300 0.026 0.000 1.122 1203 M CA -0.292 55.031 55.300 0.039 0.000 1.041 1203 M CB 0.046 32.679 32.600 0.056 0.000 1.438 1203 M HN 0.093 nan 8.290 nan 0.000 0.484 1204 A N 2.179 125.007 122.820 0.012 0.000 2.540 1204 A HA 0.323 4.642 4.320 -0.001 0.000 0.239 1204 A C 0.220 177.803 177.584 -0.001 0.000 1.061 1204 A CA 0.424 52.463 52.037 0.003 0.000 0.758 1204 A CB 0.275 19.275 19.000 -0.001 0.000 0.991 1204 A HN 0.332 nan 8.150 nan 0.000 0.502 1205 R N 1.583 122.078 120.500 -0.009 0.000 2.799 1205 R HA 0.378 4.717 4.340 -0.001 0.000 0.270 1205 R C -2.305 173.984 176.300 -0.019 0.000 1.010 1205 R CA -1.877 54.214 56.100 -0.014 0.000 0.916 1205 R CB 0.255 30.542 30.300 -0.021 0.000 1.228 1205 R HN 0.368 nan 8.270 nan 0.000 0.469 1206 P HA -0.126 nan 4.420 nan 0.000 0.216 1206 P C -0.113 177.172 177.300 -0.024 0.000 1.154 1206 P CA 1.459 64.547 63.100 -0.020 0.000 0.865 1206 P CB 0.284 31.973 31.700 -0.019 0.000 0.789 1207 D N -1.772 118.609 120.400 -0.032 0.000 2.328 1207 D HA 0.020 4.659 4.640 -0.001 0.000 0.221 1207 D C 0.583 176.858 176.300 -0.042 0.000 1.072 1207 D CA 0.173 54.150 54.000 -0.038 0.000 0.850 1207 D CB -0.214 40.558 40.800 -0.047 0.000 0.922 1207 D HN 0.222 nan 8.370 nan 0.000 0.516 1208 S N -1.360 114.318 115.700 -0.037 0.000 2.669 1208 S HA 0.602 5.072 4.470 -0.001 0.000 0.270 1208 S C 1.267 175.853 174.600 -0.024 0.000 1.225 1208 S CA 0.039 58.218 58.200 -0.034 0.000 0.991 1208 S CB 1.893 65.077 63.200 -0.028 0.000 0.987 1208 S HN 0.237 nan 8.310 nan 0.000 0.552 1209 G N -0.427 108.361 108.800 -0.021 0.000 2.260 1209 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.179 1209 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.179 1209 G C -0.179 174.711 174.900 -0.017 0.000 1.002 1209 G CA -0.041 45.050 45.100 -0.015 0.000 0.677 1209 G HN 0.957 nan 8.290 nan 0.000 0.486 1210 E N 1.000 121.187 120.200 -0.022 0.000 2.383 1210 E HA 0.586 4.936 4.350 -0.001 0.000 0.264 1210 E C 0.958 177.546 176.600 -0.021 0.000 1.050 1210 E CA 0.065 56.451 56.400 -0.024 0.000 0.896 1210 E CB 0.726 30.407 29.700 -0.030 0.000 0.982 1210 E HN 0.687 nan 8.360 nan 0.000 0.424 1211 A N 2.720 125.526 122.820 -0.023 0.000 2.407 1211 A HA 0.401 4.721 4.320 -0.001 0.000 0.248 1211 A C -0.266 177.299 177.584 -0.032 0.000 1.082 1211 A CA -0.094 51.928 52.037 -0.024 0.000 0.785 1211 A CB -0.308 18.677 19.000 -0.026 0.000 1.020 1211 A HN 0.775 nan 8.150 nan 0.000 0.489 1212 c N 0.146 118.728 118.600 -0.030 0.000 3.311 1212 c HA 0.640 5.210 4.570 -0.001 0.000 0.325 1212 c C -0.782 173.280 174.090 -0.046 0.000 1.352 1212 c CA -1.022 55.280 56.329 -0.044 0.000 1.308 1212 c CB 1.133 43.633 42.510 -0.016 0.000 1.619 1212 c HN 0.827 nan 8.230 nan 0.000 0.469 1213 D N 0.878 121.215 120.400 -0.105 0.000 2.338 1213 D HA 0.120 4.759 4.640 -0.001 0.000 0.255 1213 D C 0.401 176.765 176.300 0.106 0.000 1.237 1213 D CA 0.706 54.649 54.000 -0.095 0.000 0.883 1213 D CB 1.144 41.685 40.800 -0.432 0.000 1.087 1213 D HN 0.760 nan 8.370 nan 0.000 0.485 1214 Q N 3.034 122.901 119.800 0.112 0.000 2.282 1214 Q HA 0.028 4.368 4.340 -0.001 0.000 0.205 1214 Q C -0.305 175.792 176.000 0.160 0.000 0.915 1214 Q CA -0.006 55.876 55.803 0.132 0.000 0.949 1214 Q CB -0.370 28.411 28.738 0.072 0.000 1.035 1214 Q HN 0.565 nan 8.270 nan 0.000 0.484 1215 N N -0.450 118.411 118.700 0.269 0.000 2.741 1215 N HA -0.202 4.538 4.740 -0.001 0.000 0.250 1215 N C -0.255 175.317 175.510 0.104 0.000 1.115 1215 N CA 0.745 53.911 53.050 0.195 0.000 0.724 1215 N CB -0.441 38.082 38.487 0.060 0.000 1.090 1215 N HN 0.295 nan 8.380 nan 0.000 0.558 1216 R N -0.504 120.054 120.500 0.098 0.000 2.393 1216 R HA 0.393 4.732 4.340 -0.001 0.000 0.244 1216 R C 0.970 177.304 176.300 0.057 0.000 0.920 1216 R CA 0.732 56.868 56.100 0.059 0.000 1.076 1216 R CB 0.614 30.941 30.300 0.045 0.000 1.119 1216 R HN 0.268 nan 8.270 nan 0.000 0.524 1217 A N 0.468 123.336 122.820 0.081 0.000 2.571 1217 A HA 0.482 4.801 4.320 -0.001 0.000 0.274 1217 A C 0.620 178.252 177.584 0.080 0.000 1.196 1217 A CA 0.175 52.253 52.037 0.069 0.000 0.957 1217 A CB 0.578 19.615 19.000 0.063 0.000 1.150 1217 A HN 0.322 nan 8.150 nan 0.000 0.539 1218 G N -0.778 108.072 108.800 0.084 0.000 2.728 1218 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.294 1218 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.294 1218 G C -0.059 174.905 174.900 0.106 0.000 1.342 1218 G CA -0.468 44.671 45.100 0.065 0.000 0.866 1218 G HN 0.667 nan 8.290 nan 0.000 0.534 1219 T N 0.401 114.988 114.554 0.056 0.000 2.802 1219 T HA 0.393 4.742 4.350 -0.001 0.000 0.305 1219 T C 2.029 176.832 174.700 0.171 0.000 1.053 1219 T CA 0.553 62.691 62.100 0.063 0.000 1.058 1219 T CB 0.985 69.856 68.868 0.005 0.000 0.988 1219 T HN 0.883 nan 8.240 nan 0.000 0.539 1220 S N 1.026 116.871 115.700 0.242 0.000 2.370 1220 S HA -0.161 4.308 4.470 -0.001 0.000 0.226 1220 S C 2.172 176.835 174.600 0.104 0.000 1.033 1220 S CA 1.588 59.916 58.200 0.213 0.000 1.011 1220 S CB -0.286 63.043 63.200 0.214 0.000 0.852 1220 S HN 0.853 nan 8.310 nan 0.000 0.457 1221 E N 1.389 121.635 120.200 0.075 0.000 2.107 1221 E HA -0.180 4.169 4.350 -0.001 0.000 0.191 1221 E C 1.955 178.578 176.600 0.038 0.000 0.982 1221 E CA 0.895 57.322 56.400 0.045 0.000 0.809 1221 E CB -0.456 29.262 29.700 0.031 0.000 0.756 1221 E HN 0.559 nan 8.360 nan 0.000 0.459 1222 Q N 0.763 120.588 119.800 0.042 0.000 2.124 1222 Q HA -0.155 4.184 4.340 -0.001 0.000 0.202 1222 Q C 2.273 178.295 176.000 0.037 0.000 0.977 1222 Q CA 1.604 57.428 55.803 0.033 0.000 0.850 1222 Q CB -0.081 28.676 28.738 0.031 0.000 0.901 1222 Q HN 0.428 nan 8.270 nan 0.000 0.429 1223 Q N -0.438 119.393 119.800 0.052 0.000 2.123 1223 Q HA -0.084 4.255 4.340 -0.001 0.000 0.199 1223 Q C 2.160 178.177 176.000 0.028 0.000 0.966 1223 Q CA 1.113 56.942 55.803 0.043 0.000 0.845 1223 Q CB -0.122 28.649 28.738 0.055 0.000 0.907 1223 Q HN 0.473 nan 8.270 nan 0.000 0.439 1224 G N 1.095 109.913 108.800 0.030 0.000 2.404 1224 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.215 1224 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.215 1224 G C 0.955 175.865 174.900 0.015 0.000 1.174 1224 G CA 1.109 46.220 45.100 0.020 0.000 0.780 1224 G HN 0.367 nan 8.290 nan 0.000 0.537 1225 D N -0.238 120.172 120.400 0.017 0.000 2.144 1225 D HA -0.109 4.530 4.640 -0.001 0.000 0.199 1225 D C 2.267 178.574 176.300 0.011 0.000 0.984 1225 D CA 0.688 54.696 54.000 0.013 0.000 0.834 1225 D CB -0.172 40.636 40.800 0.013 0.000 0.955 1225 D HN 0.170 nan 8.370 nan 0.000 0.465 1226 L N -0.081 121.150 121.223 0.013 0.000 2.093 1226 L HA -0.014 4.326 4.340 -0.001 0.000 0.208 1226 L C 2.253 179.128 176.870 0.008 0.000 1.085 1226 L CA 1.682 56.529 54.840 0.011 0.000 0.755 1226 L CB -1.128 40.940 42.059 0.014 0.000 0.904 1226 L HN 0.043 nan 8.230 nan 0.000 0.435 1227 S N -0.690 115.015 115.700 0.008 0.000 2.368 1227 S HA -0.274 4.195 4.470 -0.001 0.000 0.225 1227 S C 2.212 176.814 174.600 0.004 0.000 1.030 1227 S CA 1.764 59.967 58.200 0.005 0.000 0.999 1227 S CB -0.340 62.861 63.200 0.003 0.000 0.844 1227 S HN 0.556 nan 8.310 nan 0.000 0.459 1228 K N 0.235 120.638 120.400 0.005 0.000 2.097 1228 K HA -0.006 4.313 4.320 -0.001 0.000 0.205 1228 K C 2.362 178.964 176.600 0.003 0.000 1.050 1228 K CA 0.976 57.266 56.287 0.004 0.000 0.938 1228 K CB -0.117 32.386 32.500 0.005 0.000 0.718 1228 K HN 0.296 nan 8.250 nan 0.000 0.442 1229 R N -0.123 120.379 120.500 0.004 0.000 2.148 1229 R HA -0.042 4.297 4.340 -0.001 0.000 0.223 1229 R C 2.084 178.386 176.300 0.003 0.000 1.088 1229 R CA 1.595 57.698 56.100 0.004 0.000 0.985 1229 R CB -0.106 30.197 30.300 0.005 0.000 0.880 1229 R HN 0.396 nan 8.270 nan 0.000 0.451 1230 T N -1.512 113.043 114.554 0.003 0.000 3.085 1230 T HA 0.045 4.394 4.350 -0.001 0.000 0.263 1230 T C 0.710 175.411 174.700 0.001 0.000 1.127 1230 T CA -0.124 61.977 62.100 0.002 0.000 1.103 1230 T CB 0.133 69.003 68.868 0.002 0.000 0.921 1230 T HN -0.015 nan 8.240 nan 0.000 0.510 1231 K N 0.361 120.761 120.400 0.001 0.000 1.779 1231 K HA -0.234 4.085 4.320 -0.001 0.000 0.128 1231 K C 0.437 177.037 176.600 -0.000 0.000 1.288 1231 K CA 1.731 58.019 56.287 0.000 0.000 0.398 1231 K CB -1.643 30.858 32.500 0.000 0.000 0.609 1231 K HN 0.540 nan 8.250 nan 0.000 0.874 1232 K N 0.000 120.400 120.400 -0.001 0.000 2.780 1232 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 1232 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 1232 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543