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 1b0p_1_B DATA FIRST_RESID 2 DATA SEQUENCE GKKMMTTDGN TATAHVAYAM SEVAAIYPIT PSSTMGEEAD DWAAQGRKNI DATA SEQUENCE FGQTLTIREM QSEAGAAGAV HGALAAGALT TTFTASQGLL LMIPNMYKIS DATA SEQUENCE GELLPGVFHV TARAIAAHAL SIFGDHQDIY AARQTGFAML ASSSVQEAHD DATA SEQUENCE MALVAHLAAI ESNVPFMHFF DGFRTSHEIQ KIEVLDYADM ASLVNQKALA DATA SEQUENCE EFRAKSMNPE HPHVRGTAQN PDIYFQGREA ANPYYLKVPG IVAEYMQKVA DATA SEQUENCE SLTGRSYKLF DYVGAPDAER VIVSMGSSCE TIEEVINHLA AKGEKIGLIK DATA SEQUENCE VRLYRPFVSE AFFAALPASA KVITVLDRTK EPGAPGDPLY LDVCSAFVER DATA SEQUENCE GEAMPKILAG RYGLGSKEFS PAMVKSVYDN MSGAKKNHFT VGIEDDVTGT DATA SEQUENCE SLPVDNAFAD TTPKGTIQCQ FWGLGADGTV GANKQAIKII GDNTDLFAQG DATA SEQUENCE YFSYDSKKSG GITISHLRFG EKPIQSTYLV NRADYVACHN PAYVGIYDIL DATA SEQUENCE EGIKDGGTFV LNSPWSSLED MDKHLPSGIK RTIANKKLKF YNIDAVKIAT DATA SEQUENCE DVGLGGRINM IMQTAFFKLA GVLPFEKAVD LLKKSIHKAY GKKGEKIVKM DATA SEQUENCE NTDAVDQAVT SLQEFKYPDS WKDAPAETKA EPMTNEFFKN VVKPILTQQG DATA SEQUENCE DKLPVSAFEA DGRFPLGTSQ FEKRGVAINV PQWVPENCIQ CNQCAFVCPH DATA SEQUENCE SAILPVLAKE EELVGAPANF TALEAKGKEL KGYKFRIQIN TLDCMGCGNC DATA SEQUENCE ADICPPKEKA LVMQPLDTQR DAQVPNLEYA ARIPVKSEVL PRDSLKGSQF DATA SEQUENCE QEPLMEFSGA CSGCGETPYV RVITQLFGER MFIANATGCS SIWGASAPSM DATA SEQUENCE PYKTNRLGQG PAWGNSLFED AAEYGFGMNM SMFARRTHLA DLAAKALESD DATA SEQUENCE ASGDVKEALQ GWLAGKNDPI KSKEYGDKLK KLLAGQKDGL LGQIAAMSDL DATA SEQUENCE YTKKSVWIFG GDGWAYDIGY GGLDHVLASG EDVNVFVMDT EVYSNTGGQS DATA SEQUENCE SKATPTGAVA KFAAAGKRTG KKDLARMVMT YGYVYVATVS MGYSKQQFLK DATA SEQUENCE VLKEAESFPG PSLVIAYATC INQGLRKGMG KSQDVMNTAV KSGYWPLFRY DATA SEQUENCE DPRLAAQGKN PFQLDSKAPD GSVEEFLMAQ NRFAVLDRSF PEDAKRLRAQ DATA SEQUENCE VAHELDVRFK ELEHMAATNI FESFAPAGGK ADGSVDFGEG AEFcTRDDTP DATA SEQUENCE MMARPDSGEA cDQNRAGTSE QQGDLSKRTK K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 2 G C 0.000 174.914 174.900 0.024 0.000 0.946 2 G CA 0.000 45.114 45.100 0.024 0.000 0.502 3 K N 0.809 121.213 120.400 0.007 0.000 2.202 3 K HA 0.577 4.898 4.320 0.002 0.000 0.264 3 K C -0.535 176.048 176.600 -0.027 0.000 1.010 3 K CA -0.112 56.168 56.287 -0.011 0.000 0.940 3 K CB 1.497 33.985 32.500 -0.021 0.000 0.983 3 K HN 0.391 nan 8.250 nan 0.000 0.475 4 K N 2.951 123.320 120.400 -0.052 0.000 2.615 4 K HA 0.193 4.514 4.320 0.002 0.000 0.249 4 K C -0.813 175.732 176.600 -0.091 0.000 0.977 4 K CA -0.505 55.744 56.287 -0.063 0.000 0.833 4 K CB 1.045 33.512 32.500 -0.056 0.000 1.208 4 K HN 0.451 nan 8.250 nan 0.000 0.443 5 M N 4.008 123.563 119.600 -0.075 0.000 2.248 5 M HA 0.269 4.750 4.480 0.002 0.000 0.337 5 M C -0.309 175.945 176.300 -0.077 0.000 1.121 5 M CA 0.478 55.732 55.300 -0.078 0.000 1.155 5 M CB 0.848 33.408 32.600 -0.066 0.000 1.514 5 M HN 0.877 nan 8.290 nan 0.000 0.452 6 M N 2.114 121.670 119.600 -0.072 0.000 2.373 6 M HA 0.199 4.680 4.480 0.002 0.000 0.290 6 M C -1.039 175.246 176.300 -0.026 0.000 1.143 6 M CA -0.361 54.904 55.300 -0.059 0.000 0.949 6 M CB 2.130 34.669 32.600 -0.102 0.000 1.756 6 M HN 0.730 nan 8.290 nan 0.000 0.494 7 T N 1.374 115.930 114.554 0.004 0.000 2.832 7 T HA 0.762 5.113 4.350 0.002 0.000 0.313 7 T C -0.382 174.343 174.700 0.042 0.000 1.035 7 T CA 0.023 62.144 62.100 0.034 0.000 0.950 7 T CB 0.169 69.075 68.868 0.063 0.000 0.984 7 T HN 0.778 nan 8.240 nan 0.000 0.486 8 T N 0.659 115.237 114.554 0.040 0.000 2.696 8 T HA 0.691 5.042 4.350 0.002 0.000 0.291 8 T C -1.105 173.631 174.700 0.060 0.000 1.095 8 T CA -0.973 61.157 62.100 0.050 0.000 1.026 8 T CB 1.384 70.278 68.868 0.042 0.000 1.390 8 T HN 0.620 nan 8.240 nan 0.000 0.513 9 D N -0.951 119.484 120.400 0.059 0.000 2.440 9 D HA 0.509 5.150 4.640 0.002 0.000 0.258 9 D C 1.643 177.963 176.300 0.032 0.000 1.092 9 D CA -0.407 53.634 54.000 0.068 0.000 1.016 9 D CB 0.144 40.987 40.800 0.071 0.000 1.141 9 D HN 0.723 nan 8.370 nan 0.000 0.552 10 G N -0.153 108.670 108.800 0.037 0.000 2.469 10 G HA2 -0.372 3.589 3.960 0.002 0.000 0.219 10 G HA3 -0.372 3.589 3.960 0.002 0.000 0.219 10 G C 1.241 176.046 174.900 -0.158 0.000 1.150 10 G CA 0.945 45.982 45.100 -0.104 0.000 0.763 10 G HN 0.642 nan 8.290 nan 0.000 0.561 11 N N -0.432 118.297 118.700 0.048 0.000 2.084 11 N HA -0.129 4.612 4.740 0.002 0.000 0.190 11 N C 2.413 177.943 175.510 0.033 0.000 1.030 11 N CA 1.793 54.902 53.050 0.099 0.000 0.849 11 N CB -0.207 38.285 38.487 0.008 0.000 1.012 11 N HN 0.403 nan 8.380 nan 0.000 0.423 12 T N -0.899 113.675 114.554 0.033 0.000 2.985 12 T HA 0.120 4.471 4.350 0.002 0.000 0.266 12 T C 1.801 176.616 174.700 0.191 0.000 1.076 12 T CA 0.913 63.090 62.100 0.129 0.000 1.135 12 T CB -0.176 68.785 68.868 0.156 0.000 0.890 12 T HN 0.196 nan 8.240 nan 0.000 0.480 13 A N 1.084 123.958 122.820 0.089 0.000 1.930 13 A HA 0.010 4.331 4.320 0.002 0.000 0.217 13 A C 2.675 180.334 177.584 0.125 0.000 1.175 13 A CA 2.251 54.344 52.037 0.094 0.000 0.627 13 A CB -1.363 17.656 19.000 0.033 0.000 0.815 13 A HN 0.669 nan 8.150 nan 0.000 0.443 14 T N -2.215 112.358 114.554 0.032 0.000 3.014 14 T HA 0.244 4.595 4.350 0.002 0.000 0.263 14 T C 1.859 176.606 174.700 0.077 0.000 1.078 14 T CA 1.431 63.537 62.100 0.010 0.000 1.135 14 T CB -0.316 68.555 68.868 0.005 0.000 0.895 14 T HN 0.455 nan 8.240 nan 0.000 0.480 15 A N 1.041 123.958 122.820 0.162 0.000 1.969 15 A HA -0.064 4.257 4.320 0.002 0.000 0.218 15 A C 2.273 180.191 177.584 0.556 0.000 1.169 15 A CA 1.523 53.699 52.037 0.232 0.000 0.635 15 A CB -1.232 17.785 19.000 0.028 0.000 0.810 15 A HN 0.790 nan 8.150 nan 0.000 0.445 16 H N 0.037 119.358 119.070 0.419 0.000 2.289 16 H HA -0.145 4.412 4.556 0.002 0.000 0.296 16 H C 2.006 177.490 175.328 0.260 0.000 1.091 16 H CA 2.437 58.678 56.048 0.323 0.000 1.274 16 H CB -0.064 29.835 29.762 0.228 0.000 1.364 16 H HN 0.246 nan 8.280 nan 0.000 0.490 17 V N 1.220 121.232 119.914 0.163 0.000 2.283 17 V HA -0.213 3.908 4.120 0.002 0.000 0.243 17 V C 3.112 179.131 176.094 -0.125 0.000 1.039 17 V CA 1.469 63.717 62.300 -0.087 0.000 1.016 17 V CB -1.270 30.476 31.823 -0.127 0.000 0.650 17 V HN 0.610 nan 8.190 nan 0.000 0.449 18 A N -0.621 122.247 122.820 0.079 0.000 1.884 18 A HA -0.357 3.964 4.320 0.002 0.000 0.219 18 A C 2.174 179.853 177.584 0.159 0.000 1.197 18 A CA 2.643 54.841 52.037 0.267 0.000 0.637 18 A CB -1.047 18.281 19.000 0.547 0.000 0.827 18 A HN 0.639 nan 8.150 nan 0.000 0.450 19 Y N 0.320 120.720 120.300 0.167 0.000 2.128 19 Y HA -0.155 4.396 4.550 0.002 0.000 0.284 19 Y C 2.743 178.564 175.900 -0.131 0.000 1.154 19 Y CA 1.696 59.893 58.100 0.162 0.000 1.149 19 Y CB -0.511 38.188 38.460 0.398 0.000 0.976 19 Y HN 0.326 nan 8.280 nan 0.000 0.505 20 A N -0.457 122.145 122.820 -0.362 0.000 1.930 20 A HA -0.148 4.173 4.320 0.002 0.000 0.217 20 A C 2.001 179.253 177.584 -0.553 0.000 1.175 20 A CA 1.809 53.349 52.037 -0.829 0.000 0.627 20 A CB -0.487 17.405 19.000 -1.846 0.000 0.815 20 A HN 0.473 nan 8.150 nan 0.000 0.443 21 M N 0.044 119.324 119.600 -0.534 0.000 2.541 21 M HA 0.158 4.639 4.480 0.002 0.000 0.252 21 M C 0.131 176.266 176.300 -0.275 0.000 1.125 21 M CA 0.438 55.418 55.300 -0.533 0.000 1.091 21 M CB -0.788 31.201 32.600 -1.019 0.000 1.420 21 M HN 0.178 nan 8.290 nan 0.000 0.486 22 S N 0.048 115.645 115.700 -0.171 0.000 2.578 22 S HA 0.363 4.834 4.470 0.002 0.000 0.301 22 S C 0.764 175.380 174.600 0.027 0.000 1.091 22 S CA -0.673 57.538 58.200 0.018 0.000 1.032 22 S CB 2.437 65.689 63.200 0.087 0.000 1.064 22 S HN 0.214 nan 8.310 nan 0.000 0.508 23 E N 0.169 120.420 120.200 0.084 0.000 2.290 23 E HA 0.198 4.549 4.350 0.002 0.000 0.199 23 E C -0.270 176.348 176.600 0.032 0.000 0.912 23 E CA 0.344 56.783 56.400 0.064 0.000 0.924 23 E CB 0.490 30.223 29.700 0.054 0.000 0.901 23 E HN 0.282 nan 8.360 nan 0.000 0.487 24 V N 0.368 120.311 119.914 0.049 0.000 3.001 24 V HA 0.756 4.877 4.120 0.002 0.000 0.314 24 V C -1.099 175.027 176.094 0.053 0.000 1.099 24 V CA -0.923 61.406 62.300 0.049 0.000 0.989 24 V CB 1.908 33.764 31.823 0.054 0.000 1.040 24 V HN 0.144 nan 8.190 nan 0.000 0.434 25 A N 2.049 124.902 122.820 0.055 0.000 2.456 25 A HA 0.859 5.180 4.320 0.002 0.000 0.288 25 A C -0.633 176.971 177.584 0.033 0.000 1.042 25 A CA -0.066 51.995 52.037 0.039 0.000 0.738 25 A CB 1.425 20.492 19.000 0.112 0.000 1.266 25 A HN 1.482 nan 8.150 nan 0.000 0.407 26 A N 2.642 125.457 122.820 -0.007 0.000 2.249 26 A HA 0.737 5.058 4.320 0.002 0.000 0.314 26 A C -0.578 176.986 177.584 -0.033 0.000 1.290 26 A CA -0.164 51.867 52.037 -0.009 0.000 0.893 26 A CB -0.054 18.945 19.000 -0.002 0.000 1.165 26 A HN 0.781 nan 8.150 nan 0.000 0.530 27 I N 1.362 121.913 120.570 -0.032 0.000 2.750 27 I HA 0.611 4.782 4.170 0.002 0.000 0.308 27 I C -0.933 175.184 176.117 -0.000 0.000 1.016 27 I CA -0.504 60.772 61.300 -0.040 0.000 1.098 27 I CB 1.933 39.875 38.000 -0.096 0.000 1.279 27 I HN 0.608 nan 8.210 nan 0.000 0.454 28 Y N 5.440 125.682 120.300 -0.097 0.000 2.442 28 Y HA 0.497 5.048 4.550 0.002 0.000 0.330 28 Y C -2.629 173.291 175.900 0.034 0.000 1.100 28 Y CA -1.901 56.178 58.100 -0.036 0.000 1.034 28 Y CB 2.051 40.517 38.460 0.010 0.000 1.285 28 Y HN 0.326 nan 8.280 nan 0.000 0.440 29 P HA 0.494 nan 4.420 nan 0.000 0.285 29 P C -1.094 176.176 177.300 -0.050 0.000 1.259 29 P CA -0.124 62.922 63.100 -0.091 0.000 0.794 29 P CB 2.151 33.855 31.700 0.008 0.000 0.940 30 I N 1.257 121.840 120.570 0.021 0.000 2.685 30 I HA 0.146 4.317 4.170 0.002 0.000 0.289 30 I C -0.743 175.367 176.117 -0.012 0.000 1.292 30 I CA -0.408 60.901 61.300 0.014 0.000 1.050 30 I CB 2.195 40.235 38.000 0.068 0.000 1.301 30 I HN 0.171 nan 8.210 nan 0.000 0.425 31 T N 8.633 123.161 114.554 -0.043 0.000 2.928 31 T HA 0.210 4.561 4.350 0.002 0.000 0.305 31 T C -2.240 172.396 174.700 -0.107 0.000 1.035 31 T CA -0.482 61.576 62.100 -0.071 0.000 1.145 31 T CB 0.411 69.246 68.868 -0.056 0.000 0.963 31 T HN 0.459 nan 8.240 nan 0.000 0.545 32 P HA 0.235 nan 4.420 nan 0.000 0.263 32 P C 0.481 177.738 177.300 -0.072 0.000 1.821 32 P CA -0.366 62.564 63.100 -0.283 0.000 1.186 32 P CB -0.001 31.132 31.700 -0.944 0.000 1.623 33 S N -2.807 112.873 115.700 -0.032 0.000 2.539 33 S HA 0.117 4.588 4.470 0.002 0.000 0.221 33 S C 1.545 176.162 174.600 0.029 0.000 0.987 33 S CA 0.064 58.279 58.200 0.026 0.000 0.929 33 S CB -0.546 62.696 63.200 0.070 0.000 0.832 33 S HN -0.061 nan 8.310 nan 0.000 0.492 34 S N 2.499 118.208 115.700 0.015 0.000 2.370 34 S HA -0.113 4.358 4.470 0.002 0.000 0.226 34 S C 1.898 176.474 174.600 -0.041 0.000 1.033 34 S CA 1.939 60.156 58.200 0.028 0.000 1.011 34 S CB -0.937 62.280 63.200 0.029 0.000 0.852 34 S HN 0.717 nan 8.310 nan 0.000 0.457 35 T N 2.767 117.262 114.554 -0.097 0.000 2.737 35 T HA -0.131 4.220 4.350 0.002 0.000 0.269 35 T C 1.743 176.280 174.700 -0.272 0.000 1.040 35 T CA 1.389 63.381 62.100 -0.179 0.000 1.142 35 T CB -0.392 68.353 68.868 -0.204 0.000 0.861 35 T HN 0.382 nan 8.240 nan 0.000 0.456 36 M N 0.615 120.034 119.600 -0.302 0.000 2.086 36 M HA -0.023 4.458 4.480 0.002 0.000 0.261 36 M C 2.845 178.643 176.300 -0.837 0.000 1.067 36 M CA 1.847 56.778 55.300 -0.616 0.000 1.116 36 M CB -0.823 31.335 32.600 -0.736 0.000 1.348 36 M HN 0.386 nan 8.290 nan 0.000 0.407 37 G N 0.003 108.506 108.800 -0.495 0.000 2.408 37 G HA2 -0.168 3.793 3.960 0.002 0.000 0.217 37 G HA3 -0.168 3.793 3.960 0.002 0.000 0.217 37 G C 1.341 176.288 174.900 0.077 0.000 1.150 37 G CA 0.572 45.664 45.100 -0.012 0.000 0.776 37 G HN 0.492 nan 8.290 nan 0.000 0.542 38 E N 0.298 120.426 120.200 -0.121 0.000 2.106 38 E HA -0.074 4.277 4.350 0.002 0.000 0.192 38 E C 2.387 178.710 176.600 -0.461 0.000 0.984 38 E CA 0.869 57.028 56.400 -0.401 0.000 0.806 38 E CB -0.029 29.445 29.700 -0.375 0.000 0.750 38 E HN 0.549 nan 8.360 nan 0.000 0.458 39 E N 0.564 120.413 120.200 -0.584 0.000 2.072 39 E HA -0.135 4.216 4.350 0.002 0.000 0.191 39 E C 2.094 177.975 176.600 -1.198 0.000 0.985 39 E CA 0.804 56.571 56.400 -1.056 0.000 0.801 39 E CB -0.075 28.847 29.700 -1.296 0.000 0.750 39 E HN 0.202 nan 8.360 nan 0.000 0.452 40 A N 1.257 123.706 122.820 -0.618 0.000 1.972 40 A HA -0.248 4.073 4.320 0.002 0.000 0.219 40 A C 1.791 179.470 177.584 0.158 0.000 1.169 40 A CA 1.922 53.960 52.037 0.001 0.000 0.635 40 A CB -0.408 18.758 19.000 0.277 0.000 0.810 40 A HN 0.189 nan 8.150 nan 0.000 0.446 41 D N -0.500 119.907 120.400 0.012 0.000 2.149 41 D HA -0.105 4.536 4.640 0.002 0.000 0.201 41 D C 1.256 177.553 176.300 -0.006 0.000 0.972 41 D CA 1.223 55.263 54.000 0.066 0.000 0.835 41 D CB -0.028 40.764 40.800 -0.014 0.000 0.966 41 D HN 0.338 nan 8.370 nan 0.000 0.476 42 D N -0.513 119.788 120.400 -0.166 0.000 2.144 42 D HA -0.121 4.520 4.640 0.002 0.000 0.200 42 D C 1.666 178.025 176.300 0.097 0.000 0.978 42 D CA 0.567 54.509 54.000 -0.096 0.000 0.833 42 D CB -0.280 40.403 40.800 -0.195 0.000 0.961 42 D HN 0.444 nan 8.370 nan 0.000 0.470 43 W N 1.427 122.691 121.300 -0.059 0.000 2.467 43 W HA 0.163 4.824 4.660 0.002 0.000 0.275 43 W C 2.372 178.859 176.519 -0.054 0.000 1.239 43 W CA 0.214 57.454 57.345 -0.175 0.000 1.266 43 W CB -1.060 28.110 29.460 -0.484 0.000 1.112 43 W HN -0.049 nan 8.180 nan 0.000 0.576 44 A N 0.234 123.272 122.820 0.363 0.000 1.968 44 A HA 0.141 4.462 4.320 0.002 0.000 0.217 44 A C 2.231 179.934 177.584 0.199 0.000 1.169 44 A CA 1.971 54.227 52.037 0.365 0.000 0.638 44 A CB -0.837 18.379 19.000 0.361 0.000 0.812 44 A HN 0.073 nan 8.150 nan 0.000 0.446 45 A N -0.441 122.463 122.820 0.141 0.000 1.929 45 A HA -0.133 4.188 4.320 0.002 0.000 0.216 45 A C 1.990 179.624 177.584 0.083 0.000 1.176 45 A CA 1.399 53.483 52.037 0.079 0.000 0.628 45 A CB -0.464 18.567 19.000 0.050 0.000 0.816 45 A HN 0.607 nan 8.150 nan 0.000 0.444 46 Q N -1.267 118.598 119.800 0.108 0.000 2.488 46 Q HA 0.202 4.543 4.340 0.002 0.000 0.211 46 Q C 1.052 177.093 176.000 0.068 0.000 0.967 46 Q CA 0.407 56.261 55.803 0.086 0.000 0.926 46 Q CB -0.081 28.712 28.738 0.092 0.000 0.992 46 Q HN 0.876 nan 8.270 nan 0.000 0.506 47 G N 1.961 110.821 108.800 0.100 0.000 2.160 47 G HA2 -0.344 3.617 3.960 0.002 0.000 0.244 47 G HA3 -0.344 3.617 3.960 0.002 0.000 0.244 47 G C -0.020 174.942 174.900 0.103 0.000 1.022 47 G CA 0.239 45.402 45.100 0.104 0.000 0.741 47 G HN 0.321 nan 8.290 nan 0.000 0.508 48 R N 0.034 120.586 120.500 0.087 0.000 2.679 48 R HA 0.409 4.750 4.340 0.002 0.000 0.268 48 R C 0.179 176.644 176.300 0.275 0.000 1.044 48 R CA 0.226 56.335 56.100 0.015 0.000 1.105 48 R CB 0.346 30.467 30.300 -0.298 0.000 0.989 48 R HN 0.056 nan 8.270 nan 0.000 0.447 49 K N 2.440 122.996 120.400 0.261 0.000 2.203 49 K HA 0.208 4.529 4.320 0.002 0.000 0.251 49 K C -0.389 176.478 176.600 0.445 0.000 0.944 49 K CA -0.964 55.521 56.287 0.330 0.000 0.829 49 K CB 1.606 34.211 32.500 0.174 0.000 1.125 49 K HN 0.724 nan 8.250 nan 0.000 0.430 50 N N 0.564 119.428 118.700 0.273 0.000 2.443 50 N HA 0.109 4.850 4.740 0.002 0.000 0.294 50 N C 1.266 176.744 175.510 -0.053 0.000 1.289 50 N CA -0.426 52.663 53.050 0.065 0.000 0.966 50 N CB -0.099 38.343 38.487 -0.075 0.000 1.122 50 N HN 0.632 nan 8.380 nan 0.000 0.569 51 I N -4.680 115.681 120.570 -0.347 0.000 2.916 51 I HA 0.042 4.213 4.170 0.002 0.000 0.267 51 I C 0.229 176.017 176.117 -0.548 0.000 1.263 51 I CA 1.167 62.179 61.300 -0.480 0.000 1.471 51 I CB -0.552 37.049 38.000 -0.665 0.000 1.089 51 I HN 0.149 nan 8.210 nan 0.000 0.468 52 F N 2.147 122.101 119.950 0.007 0.000 2.664 52 F HA 0.482 5.010 4.527 0.002 0.000 0.303 52 F C 1.829 177.648 175.800 0.032 0.000 1.092 52 F CA -0.122 57.888 58.000 0.017 0.000 1.305 52 F CB -0.114 38.892 39.000 0.010 0.000 1.054 52 F HN 0.233 nan 8.300 nan 0.000 0.565 53 G N 0.470 109.344 108.800 0.123 0.000 2.198 53 G HA2 -0.223 3.738 3.960 0.002 0.000 0.260 53 G HA3 -0.223 3.738 3.960 0.002 0.000 0.260 53 G C -0.001 174.980 174.900 0.135 0.000 1.025 53 G CA -0.077 45.093 45.100 0.117 0.000 0.769 53 G HN 0.276 nan 8.290 nan 0.000 0.507 54 Q N -0.009 119.888 119.800 0.162 0.000 2.413 54 Q HA 0.638 4.979 4.340 0.002 0.000 0.276 54 Q C 0.509 176.603 176.000 0.157 0.000 1.099 54 Q CA -0.006 55.883 55.803 0.144 0.000 0.814 54 Q CB 1.540 30.359 28.738 0.135 0.000 1.379 54 Q HN 0.624 nan 8.270 nan 0.000 0.436 55 T N -1.630 113.017 114.554 0.155 0.000 2.899 55 T HA 0.438 4.789 4.350 0.002 0.000 0.295 55 T C 0.308 175.069 174.700 0.101 0.000 1.033 55 T CA -0.774 61.453 62.100 0.211 0.000 1.084 55 T CB 0.510 69.507 68.868 0.214 0.000 0.979 55 T HN 0.467 nan 8.240 nan 0.000 0.532 56 L N 2.069 123.298 121.223 0.011 0.000 2.417 56 L HA 0.422 4.763 4.340 0.002 0.000 0.268 56 L C 0.274 177.174 176.870 0.050 0.000 1.158 56 L CA 0.219 55.004 54.840 -0.093 0.000 0.819 56 L CB 0.773 42.606 42.059 -0.376 0.000 1.112 56 L HN 0.828 nan 8.230 nan 0.000 0.458 57 T N 6.744 121.324 114.554 0.043 0.000 2.811 57 T HA 0.524 4.875 4.350 0.002 0.000 0.309 57 T C -0.277 174.471 174.700 0.080 0.000 1.005 57 T CA 0.066 62.205 62.100 0.064 0.000 0.955 57 T CB -0.580 68.315 68.868 0.045 0.000 0.970 57 T HN 0.371 nan 8.240 nan 0.000 0.496 58 I N 3.717 124.356 120.570 0.114 0.000 2.404 58 I HA 0.574 4.745 4.170 0.002 0.000 0.293 58 I C 0.176 176.358 176.117 0.107 0.000 0.992 58 I CA -0.794 60.587 61.300 0.136 0.000 1.149 58 I CB 1.227 39.363 38.000 0.227 0.000 1.315 58 I HN 0.159 nan 8.210 nan 0.000 0.446 59 R N 3.697 124.233 120.500 0.060 0.000 2.621 59 R HA 0.392 4.733 4.340 0.002 0.000 0.284 59 R C -0.842 175.432 176.300 -0.044 0.000 0.998 59 R CA -0.884 55.233 56.100 0.028 0.000 0.895 59 R CB 2.035 32.352 30.300 0.028 0.000 1.195 59 R HN 0.700 nan 8.270 nan 0.000 0.450 60 E N 3.305 123.443 120.200 -0.103 0.000 2.313 60 E HA 0.241 4.592 4.350 0.002 0.000 0.276 60 E C -0.185 176.407 176.600 -0.013 0.000 1.031 60 E CA -0.433 55.850 56.400 -0.196 0.000 0.857 60 E CB 0.754 30.245 29.700 -0.349 0.000 1.040 60 E HN 0.200 nan 8.360 nan 0.000 0.408 61 M N 2.303 121.953 119.600 0.083 0.000 2.686 61 M HA 0.060 4.541 4.480 0.002 0.000 0.262 61 M C 0.902 177.337 176.300 0.225 0.000 1.139 61 M CA -0.318 55.050 55.300 0.114 0.000 0.928 61 M CB 0.541 33.175 32.600 0.055 0.000 1.482 61 M HN 0.624 nan 8.290 nan 0.000 0.545 62 Q N 0.670 120.520 119.800 0.082 0.000 2.392 62 Q HA 0.122 4.463 4.340 0.002 0.000 0.203 62 Q C -0.305 175.501 176.000 -0.324 0.000 0.917 62 Q CA 0.422 56.263 55.803 0.063 0.000 0.939 62 Q CB 0.343 29.098 28.738 0.028 0.000 1.063 62 Q HN 0.740 nan 8.270 nan 0.000 0.516 63 S N -0.622 114.714 115.700 -0.608 0.000 2.643 63 S HA 0.197 4.668 4.470 0.002 0.000 0.266 63 S C 0.227 174.473 174.600 -0.590 0.000 1.130 63 S CA -0.352 57.209 58.200 -1.063 0.000 0.817 63 S CB 0.440 63.324 63.200 -0.526 0.000 1.107 63 S HN 0.115 nan 8.310 nan 0.000 0.471 64 E N 0.711 120.663 120.200 -0.414 0.000 2.358 64 E HA 0.084 4.435 4.350 0.002 0.000 0.195 64 E C 1.784 178.321 176.600 -0.105 0.000 1.010 64 E CA 1.052 57.373 56.400 -0.133 0.000 0.856 64 E CB -0.595 29.082 29.700 -0.039 0.000 0.795 64 E HN 0.721 nan 8.360 nan 0.000 0.504 65 A N 1.966 124.713 122.820 -0.122 0.000 1.929 65 A HA 0.075 4.396 4.320 0.002 0.000 0.216 65 A C 2.498 180.052 177.584 -0.049 0.000 1.176 65 A CA 1.407 53.405 52.037 -0.064 0.000 0.628 65 A CB -1.047 17.910 19.000 -0.070 0.000 0.816 65 A HN 0.357 nan 8.150 nan 0.000 0.444 66 G N -0.324 108.424 108.800 -0.087 0.000 2.418 66 G HA2 0.013 3.974 3.960 0.002 0.000 0.217 66 G HA3 0.013 3.974 3.960 0.002 0.000 0.217 66 G C 1.731 176.617 174.900 -0.023 0.000 1.158 66 G CA 1.387 46.455 45.100 -0.054 0.000 0.771 66 G HN 0.752 nan 8.290 nan 0.000 0.545 67 A N 1.029 123.829 122.820 -0.033 0.000 1.930 67 A HA 0.336 4.657 4.320 0.002 0.000 0.217 67 A C 2.769 180.347 177.584 -0.011 0.000 1.175 67 A CA 2.127 54.152 52.037 -0.019 0.000 0.627 67 A CB -0.653 18.333 19.000 -0.023 0.000 0.815 67 A HN 0.735 nan 8.150 nan 0.000 0.443 68 A N -0.527 122.290 122.820 -0.005 0.000 1.929 68 A HA 0.205 4.526 4.320 0.002 0.000 0.216 68 A C 2.354 180.021 177.584 0.138 0.000 1.176 68 A CA 1.686 53.765 52.037 0.070 0.000 0.628 68 A CB -1.222 17.827 19.000 0.082 0.000 0.816 68 A HN 0.663 nan 8.150 nan 0.000 0.444 69 G N -0.353 108.503 108.800 0.093 0.000 2.418 69 G HA2 0.013 3.974 3.960 0.002 0.000 0.217 69 G HA3 0.013 3.974 3.960 0.002 0.000 0.217 69 G C 1.722 176.677 174.900 0.091 0.000 1.158 69 G CA 1.362 46.526 45.100 0.106 0.000 0.771 69 G HN 0.746 nan 8.290 nan 0.000 0.545 70 A N 0.063 122.918 122.820 0.058 0.000 1.898 70 A HA 0.134 4.455 4.320 0.002 0.000 0.216 70 A C 2.571 180.201 177.584 0.078 0.000 1.181 70 A CA 1.656 53.721 52.037 0.046 0.000 0.620 70 A CB -0.556 18.459 19.000 0.026 0.000 0.819 70 A HN 0.241 nan 8.150 nan 0.000 0.442 71 V N -0.244 119.734 119.914 0.107 0.000 2.407 71 V HA -0.288 3.833 4.120 0.002 0.000 0.248 71 V C 2.421 178.655 176.094 0.233 0.000 1.055 71 V CA 2.195 64.586 62.300 0.152 0.000 1.049 71 V CB -1.022 30.901 31.823 0.167 0.000 0.662 71 V HN 0.855 nan 8.190 nan 0.000 0.455 72 H N 0.009 119.156 119.070 0.128 0.000 2.389 72 H HA -0.097 4.460 4.556 0.002 0.000 0.299 72 H C 2.249 177.635 175.328 0.097 0.000 1.081 72 H CA 1.195 57.317 56.048 0.123 0.000 1.345 72 H CB -0.013 29.820 29.762 0.118 0.000 1.393 72 H HN 0.448 nan 8.280 nan 0.000 0.520 73 G N 0.224 109.034 108.800 0.018 0.000 2.402 73 G HA2 -0.225 3.736 3.960 0.002 0.000 0.216 73 G HA3 -0.225 3.736 3.960 0.002 0.000 0.216 73 G C 1.872 176.775 174.900 0.005 0.000 1.162 73 G CA 0.657 45.712 45.100 -0.076 0.000 0.777 73 G HN 0.528 nan 8.290 nan 0.000 0.539 74 A N 0.433 123.287 122.820 0.057 0.000 1.933 74 A HA 0.127 4.448 4.320 0.002 0.000 0.218 74 A C 2.429 180.089 177.584 0.127 0.000 1.175 74 A CA 1.207 53.287 52.037 0.072 0.000 0.628 74 A CB -0.365 18.683 19.000 0.080 0.000 0.814 74 A HN 0.349 nan 8.150 nan 0.000 0.444 75 L N -0.842 120.494 121.223 0.189 0.000 2.027 75 L HA -0.137 4.204 4.340 0.002 0.000 0.206 75 L C 3.081 180.119 176.870 0.279 0.000 1.074 75 L CA 1.031 56.053 54.840 0.302 0.000 0.745 75 L CB -0.482 41.734 42.059 0.262 0.000 0.898 75 L HN 0.403 nan 8.230 nan 0.000 0.433 76 A N -0.045 122.886 122.820 0.186 0.000 1.978 76 A HA -0.127 4.194 4.320 0.002 0.000 0.220 76 A C 2.156 179.770 177.584 0.051 0.000 1.170 76 A CA 1.683 53.798 52.037 0.129 0.000 0.636 76 A CB -0.619 18.402 19.000 0.035 0.000 0.810 76 A HN 0.389 nan 8.150 nan 0.000 0.448 77 A N -1.581 121.244 122.820 0.008 0.000 2.370 77 A HA 0.450 4.771 4.320 0.002 0.000 0.238 77 A C 1.533 179.047 177.584 -0.115 0.000 1.289 77 A CA 0.929 52.935 52.037 -0.051 0.000 0.885 77 A CB -1.176 17.794 19.000 -0.050 0.000 0.961 77 A HN 1.887 nan 8.150 nan 0.000 0.499 78 G N -1.942 106.737 108.800 -0.203 0.000 2.147 78 G HA2 0.115 4.076 3.960 0.002 0.000 0.244 78 G HA3 0.115 4.076 3.960 0.002 0.000 0.244 78 G C 0.238 174.974 174.900 -0.274 0.000 1.005 78 G CA 0.307 45.071 45.100 -0.560 0.000 0.713 78 G HN 1.706 nan 8.290 nan 0.000 0.515 79 A N 0.049 122.915 122.820 0.076 0.000 2.330 79 A HA 0.808 5.129 4.320 0.002 0.000 0.327 79 A C 0.453 178.225 177.584 0.314 0.000 1.155 79 A CA -0.689 51.440 52.037 0.153 0.000 0.803 79 A CB 0.942 19.976 19.000 0.057 0.000 1.208 79 A HN 0.758 nan 8.150 nan 0.000 0.477 80 L N 1.972 123.358 121.223 0.272 0.000 2.490 80 L HA 0.301 4.642 4.340 0.002 0.000 0.274 80 L C 0.137 177.093 176.870 0.144 0.000 1.201 80 L CA 0.468 55.415 54.840 0.179 0.000 0.869 80 L CB 0.400 42.565 42.059 0.176 0.000 1.123 80 L HN 0.762 nan 8.230 nan 0.000 0.484 81 T N 0.819 115.448 114.554 0.125 0.000 2.933 81 T HA 0.582 4.933 4.350 0.002 0.000 0.305 81 T C -0.243 174.523 174.700 0.109 0.000 1.092 81 T CA -0.747 61.420 62.100 0.112 0.000 1.008 81 T CB 2.166 71.104 68.868 0.117 0.000 1.102 81 T HN 0.713 nan 8.240 nan 0.000 0.469 82 T N -1.180 113.407 114.554 0.055 0.000 2.831 82 T HA 0.905 5.256 4.350 0.002 0.000 0.287 82 T C -0.658 173.872 174.700 -0.284 0.000 1.070 82 T CA -0.971 61.106 62.100 -0.038 0.000 1.010 82 T CB 2.165 71.019 68.868 -0.024 0.000 1.264 82 T HN 0.700 nan 8.240 nan 0.000 0.532 83 T N -0.155 114.075 114.554 -0.541 0.000 2.886 83 T HA 0.585 4.936 4.350 0.002 0.000 0.330 83 T C -2.192 172.059 174.700 -0.748 0.000 1.488 83 T CA -0.728 60.957 62.100 -0.692 0.000 1.054 83 T CB 0.800 69.347 68.868 -0.535 0.000 1.348 83 T HN 0.483 nan 8.240 nan 0.000 0.489 84 F N 2.115 122.078 119.950 0.022 0.000 2.467 84 F HA 0.763 5.291 4.527 0.002 0.000 0.336 84 F C 0.823 176.617 175.800 -0.010 0.000 1.123 84 F CA -0.549 57.494 58.000 0.073 0.000 0.964 84 F CB 2.245 41.318 39.000 0.121 0.000 1.136 84 F HN 0.570 nan 8.300 nan 0.000 0.447 85 T N 1.088 115.705 114.554 0.104 0.000 2.645 85 T HA 0.917 5.268 4.350 0.002 0.000 0.300 85 T C -1.747 172.956 174.700 0.005 0.000 1.210 85 T CA -0.296 61.822 62.100 0.030 0.000 1.034 85 T CB 1.550 70.378 68.868 -0.067 0.000 1.537 85 T HN 1.028 nan 8.240 nan 0.000 0.492 86 A N 0.134 122.947 122.820 -0.012 0.000 2.567 86 A HA 0.691 5.012 4.320 0.002 0.000 0.291 86 A C 0.930 178.498 177.584 -0.027 0.000 1.048 86 A CA 0.577 52.592 52.037 -0.037 0.000 0.661 86 A CB 0.292 19.263 19.000 -0.048 0.000 1.288 86 A HN 2.148 nan 8.150 nan 0.000 0.424 87 S N 0.369 116.046 115.700 -0.039 0.000 3.746 87 S HA -0.447 4.024 4.470 0.002 0.000 0.538 87 S C 1.511 176.101 174.600 -0.016 0.000 0.922 87 S CA 2.722 60.904 58.200 -0.030 0.000 3.394 87 S CB -1.300 61.885 63.200 -0.025 0.000 2.350 87 S HN 1.235 nan 8.310 nan 0.000 0.497 88 Q N 1.771 121.571 119.800 -0.001 0.000 2.135 88 Q HA 0.011 4.352 4.340 0.002 0.000 0.204 88 Q C 2.599 178.612 176.000 0.022 0.000 0.981 88 Q CA 1.912 57.724 55.803 0.014 0.000 0.856 88 Q CB -1.508 27.252 28.738 0.037 0.000 0.902 88 Q HN 0.876 nan 8.270 nan 0.000 0.425 89 G N 0.947 109.767 108.800 0.033 0.000 2.402 89 G HA2 -0.197 3.764 3.960 0.002 0.000 0.216 89 G HA3 -0.197 3.764 3.960 0.002 0.000 0.216 89 G C 1.490 176.384 174.900 -0.010 0.000 1.162 89 G CA 0.600 45.719 45.100 0.032 0.000 0.777 89 G HN 0.317 nan 8.290 nan 0.000 0.539 90 L N 0.608 121.819 121.223 -0.021 0.000 2.083 90 L HA 0.087 4.428 4.340 0.002 0.000 0.209 90 L C 2.695 179.547 176.870 -0.030 0.000 1.083 90 L CA 1.257 56.078 54.840 -0.032 0.000 0.752 90 L CB -0.392 41.639 42.059 -0.047 0.000 0.899 90 L HN 0.184 nan 8.230 nan 0.000 0.433 91 L N -1.169 120.039 121.223 -0.025 0.000 2.042 91 L HA -0.265 4.076 4.340 0.002 0.000 0.210 91 L C 2.393 179.255 176.870 -0.012 0.000 1.076 91 L CA 1.334 56.163 54.840 -0.019 0.000 0.749 91 L CB -0.585 41.466 42.059 -0.013 0.000 0.893 91 L HN 0.321 nan 8.230 nan 0.000 0.432 92 L N -0.959 120.255 121.223 -0.016 0.000 2.465 92 L HA -0.135 4.206 4.340 0.002 0.000 0.224 92 L C 2.238 179.102 176.870 -0.009 0.000 1.145 92 L CA 0.710 55.537 54.840 -0.021 0.000 0.834 92 L CB -0.254 41.777 42.059 -0.046 0.000 0.944 92 L HN 0.400 nan 8.230 nan 0.000 0.451 93 M N -1.153 118.447 119.600 0.000 0.000 2.502 93 M HA 0.015 4.496 4.480 0.002 0.000 0.243 93 M C 2.008 178.337 176.300 0.048 0.000 1.130 93 M CA 0.614 55.937 55.300 0.039 0.000 1.055 93 M CB 0.147 32.788 32.600 0.067 0.000 1.457 93 M HN 0.186 nan 8.290 nan 0.000 0.488 94 I N 1.309 121.888 120.570 0.015 0.000 2.118 94 I HA -0.244 3.927 4.170 0.002 0.000 0.241 94 I C -0.559 175.646 176.117 0.147 0.000 1.070 94 I CA 1.883 63.191 61.300 0.014 0.000 1.327 94 I CB -1.634 36.379 38.000 0.022 0.000 1.034 94 I HN 0.152 nan 8.210 nan 0.000 0.405 95 P HA -0.142 nan 4.420 nan 0.000 0.215 95 P C 1.234 178.641 177.300 0.177 0.000 1.153 95 P CA 1.448 64.654 63.100 0.176 0.000 0.853 95 P CB -0.112 31.635 31.700 0.077 0.000 0.788 96 N N -1.249 117.526 118.700 0.124 0.000 2.244 96 N HA -0.040 4.701 4.740 0.002 0.000 0.183 96 N C 1.651 177.209 175.510 0.080 0.000 1.016 96 N CA 1.074 54.187 53.050 0.106 0.000 0.866 96 N CB -0.352 38.224 38.487 0.148 0.000 0.980 96 N HN 0.197 nan 8.380 nan 0.000 0.430 97 M N -0.574 119.056 119.600 0.050 0.000 2.159 97 M HA -0.187 4.294 4.480 0.002 0.000 0.263 97 M C 1.551 177.871 176.300 0.035 0.000 1.063 97 M CA 1.449 56.710 55.300 -0.065 0.000 1.110 97 M CB -0.436 31.851 32.600 -0.521 0.000 1.374 97 M HN 0.137 nan 8.290 nan 0.000 0.411 98 Y N 0.266 120.566 120.300 0.000 0.000 2.293 98 Y HA -0.134 4.417 4.550 0.002 0.000 0.291 98 Y C 2.525 178.416 175.900 -0.014 0.000 1.137 98 Y CA 1.014 59.121 58.100 0.012 0.000 1.202 98 Y CB -0.189 38.272 38.460 0.001 0.000 0.990 98 Y HN 0.032 nan 8.280 nan 0.000 0.537 99 K N 0.268 120.727 120.400 0.099 0.000 2.062 99 K HA -0.051 4.270 4.320 0.002 0.000 0.205 99 K C 1.987 178.444 176.600 -0.237 0.000 1.051 99 K CA 1.088 57.319 56.287 -0.094 0.000 0.941 99 K CB -0.524 31.847 32.500 -0.215 0.000 0.719 99 K HN 0.371 nan 8.250 nan 0.000 0.440 100 I N 1.311 121.753 120.570 -0.212 0.000 2.315 100 I HA -0.254 3.917 4.170 0.002 0.000 0.248 100 I C 2.293 178.353 176.117 -0.096 0.000 1.117 100 I CA 1.359 62.572 61.300 -0.144 0.000 1.404 100 I CB -0.178 37.837 38.000 0.024 0.000 1.071 100 I HN 0.121 nan 8.210 nan 0.000 0.419 101 S N 0.173 115.857 115.700 -0.026 0.000 2.439 101 S HA 0.033 4.504 4.470 0.002 0.000 0.224 101 S C 2.148 176.750 174.600 0.005 0.000 1.029 101 S CA 0.551 58.720 58.200 -0.051 0.000 0.946 101 S CB -0.757 62.471 63.200 0.048 0.000 0.797 101 S HN 0.413 nan 8.310 nan 0.000 0.504 102 G N 1.501 110.321 108.800 0.033 0.000 2.432 102 G HA2 -0.095 3.866 3.960 0.002 0.000 0.219 102 G HA3 -0.095 3.866 3.960 0.002 0.000 0.219 102 G C 1.220 176.117 174.900 -0.004 0.000 1.135 102 G CA 0.526 45.649 45.100 0.037 0.000 0.767 102 G HN 0.647 nan 8.290 nan 0.000 0.550 103 E N -0.007 120.183 120.200 -0.018 0.000 2.437 103 E HA 0.298 4.649 4.350 0.002 0.000 0.189 103 E C 0.160 176.723 176.600 -0.063 0.000 1.054 103 E CA -0.470 55.924 56.400 -0.009 0.000 0.874 103 E CB -0.006 29.737 29.700 0.072 0.000 1.011 103 E HN 0.284 nan 8.360 nan 0.000 0.474 104 L N 1.516 122.661 121.223 -0.130 0.000 3.887 104 L HA -0.237 4.104 4.340 0.002 0.000 0.546 104 L C -0.720 176.056 176.870 -0.157 0.000 1.196 104 L CA 0.333 55.040 54.840 -0.222 0.000 0.777 104 L CB -1.287 40.532 42.059 -0.400 0.000 1.346 104 L HN 0.293 nan 8.230 nan 0.000 0.810 105 L N 2.944 124.082 121.223 -0.142 0.000 2.322 105 L HA 0.437 4.778 4.340 0.002 0.000 0.281 105 L C -1.410 175.318 176.870 -0.237 0.000 1.014 105 L CA -1.666 53.111 54.840 -0.106 0.000 0.815 105 L CB 1.648 43.717 42.059 0.016 0.000 1.247 105 L HN -0.035 nan 8.230 nan 0.000 0.421 106 P HA 0.040 nan 4.420 nan 0.000 0.249 106 P C 0.383 177.512 177.300 -0.285 0.000 1.686 106 P CA 0.030 62.915 63.100 -0.358 0.000 0.873 106 P CB -0.014 31.371 31.700 -0.525 0.000 1.828 107 G N -0.121 108.538 108.800 -0.236 0.000 2.599 107 G HA2 0.427 4.388 3.960 0.002 0.000 0.264 107 G HA3 0.427 4.388 3.960 0.002 0.000 0.264 107 G C -0.900 173.898 174.900 -0.170 0.000 1.200 107 G CA -0.211 44.819 45.100 -0.117 0.000 0.896 107 G HN 0.148 nan 8.290 nan 0.000 0.536 108 V N 0.811 120.694 119.914 -0.051 0.000 2.668 108 V HA 0.393 4.514 4.120 0.002 0.000 0.304 108 V C -1.318 174.844 176.094 0.114 0.000 1.071 108 V CA -0.745 61.462 62.300 -0.155 0.000 0.894 108 V CB 1.606 33.050 31.823 -0.632 0.000 1.008 108 V HN 0.544 nan 8.190 nan 0.000 0.425 109 F N 2.614 122.488 119.950 -0.126 0.000 2.443 109 F HA 0.610 5.138 4.527 0.002 0.000 0.335 109 F C 0.310 176.001 175.800 -0.181 0.000 1.104 109 F CA -1.223 56.725 58.000 -0.087 0.000 1.013 109 F CB 1.470 40.504 39.000 0.058 0.000 1.136 109 F HN 0.504 nan 8.300 nan 0.000 0.470 110 H N 1.225 120.468 119.070 0.289 0.000 2.638 110 H HA 0.562 5.119 4.556 0.002 0.000 0.317 110 H C -0.702 174.754 175.328 0.212 0.000 1.006 110 H CA -0.688 55.581 56.048 0.369 0.000 1.222 110 H CB 1.812 31.932 29.762 0.597 0.000 1.419 110 H HN 0.414 nan 8.280 nan 0.000 0.489 111 V N 2.481 122.476 119.914 0.135 0.000 2.540 111 V HA 0.492 4.613 4.120 0.002 0.000 0.302 111 V C 0.200 176.075 176.094 -0.366 0.000 1.035 111 V CA -0.659 61.613 62.300 -0.046 0.000 0.873 111 V CB 1.882 33.700 31.823 -0.008 0.000 0.992 111 V HN 0.863 nan 8.190 nan 0.000 0.428 112 T N 3.711 118.040 114.554 -0.375 0.000 3.316 112 T HA 0.650 5.001 4.350 0.002 0.000 0.341 112 T C 0.513 175.081 174.700 -0.220 0.000 1.397 112 T CA 0.240 62.034 62.100 -0.511 0.000 1.085 112 T CB 0.018 68.684 68.868 -0.336 0.000 1.160 112 T HN 1.908 nan 8.240 nan 0.000 0.694 113 A N 3.798 126.527 122.820 -0.151 0.000 2.567 113 A HA 0.183 4.504 4.320 0.002 0.000 0.263 113 A C 0.733 178.309 177.584 -0.014 0.000 1.030 113 A CA 0.181 52.184 52.037 -0.056 0.000 0.833 113 A CB -0.313 18.720 19.000 0.056 0.000 0.924 113 A HN 0.943 nan 8.150 nan 0.000 0.518 114 R N 2.454 122.935 120.500 -0.032 0.000 2.854 114 R HA 0.671 5.012 4.340 0.002 0.000 0.271 114 R C 0.075 176.371 176.300 -0.007 0.000 0.994 114 R CA -0.209 55.890 56.100 -0.001 0.000 0.945 114 R CB 1.565 31.855 30.300 -0.017 0.000 1.194 114 R HN 0.889 nan 8.270 nan 0.000 0.476 115 A N 3.186 126.016 122.820 0.016 0.000 2.406 115 A HA 0.293 4.614 4.320 0.002 0.000 0.243 115 A C 0.038 177.619 177.584 -0.004 0.000 1.082 115 A CA -0.236 51.806 52.037 0.009 0.000 0.786 115 A CB 0.201 19.220 19.000 0.032 0.000 1.029 115 A HN 0.506 nan 8.150 nan 0.000 0.495 116 I N 0.963 121.530 120.570 -0.004 0.000 2.385 116 I HA 0.374 4.545 4.170 0.002 0.000 0.294 116 I C 0.911 177.019 176.117 -0.015 0.000 0.988 116 I CA -0.310 60.984 61.300 -0.009 0.000 1.265 116 I CB 0.896 38.894 38.000 -0.003 0.000 1.388 116 I HN 0.700 nan 8.210 nan 0.000 0.480 117 A N 4.756 127.559 122.820 -0.028 0.000 2.451 117 A HA 0.612 4.933 4.320 0.002 0.000 0.266 117 A C 0.470 178.033 177.584 -0.035 0.000 1.119 117 A CA 0.471 52.477 52.037 -0.050 0.000 0.786 117 A CB 0.265 19.233 19.000 -0.052 0.000 1.061 117 A HN 0.995 nan 8.150 nan 0.000 0.503 118 A N 1.999 124.798 122.820 -0.035 0.000 2.017 118 A HA 0.364 4.685 4.320 0.002 0.000 0.194 118 A C 1.607 179.217 177.584 0.044 0.000 1.985 118 A CA 0.533 52.587 52.037 0.028 0.000 1.584 118 A CB -0.542 18.514 19.000 0.092 0.000 1.244 118 A HN 1.061 nan 8.150 nan 0.000 0.587 119 H N 0.507 119.595 119.070 0.031 0.000 2.491 119 H HA 0.421 4.978 4.556 0.002 0.000 0.290 119 H C 0.404 175.776 175.328 0.073 0.000 1.050 119 H CA 1.584 57.666 56.048 0.057 0.000 1.309 119 H CB -0.218 29.580 29.762 0.060 0.000 1.392 119 H HN 0.821 nan 8.280 nan 0.000 0.554 120 A N 0.495 122.946 122.820 -0.616 0.000 2.586 120 A HA 0.499 4.820 4.320 0.002 0.000 0.290 120 A C -1.503 175.899 177.584 -0.303 0.000 1.086 120 A CA -0.679 51.103 52.037 -0.425 0.000 0.665 120 A CB 0.932 19.630 19.000 -0.504 0.000 1.279 120 A HN 0.291 nan 8.150 nan 0.000 0.423 121 L N 0.578 121.709 121.223 -0.153 0.000 2.343 121 L HA 0.856 5.197 4.340 0.002 0.000 0.275 121 L C -0.136 176.698 176.870 -0.060 0.000 1.056 121 L CA -0.125 54.662 54.840 -0.088 0.000 0.804 121 L CB 1.707 43.735 42.059 -0.052 0.000 1.203 121 L HN 0.797 nan 8.230 nan 0.000 0.440 122 S N 3.551 119.234 115.700 -0.028 0.000 2.572 122 S HA 0.388 4.859 4.470 0.002 0.000 0.274 122 S C 0.315 174.900 174.600 -0.025 0.000 1.150 122 S CA -0.821 57.400 58.200 0.035 0.000 0.944 122 S CB 1.275 64.534 63.200 0.098 0.000 1.071 122 S HN 0.691 nan 8.310 nan 0.000 0.479 123 I N 1.093 121.558 120.570 -0.175 0.000 3.793 123 I HA 0.430 4.601 4.170 0.002 0.000 0.315 123 I C -0.488 175.478 176.117 -0.253 0.000 1.275 123 I CA -0.119 61.032 61.300 -0.249 0.000 1.214 123 I CB -0.251 37.563 38.000 -0.310 0.000 1.018 123 I HN 0.270 nan 8.210 nan 0.000 0.439 124 F N 2.143 122.175 119.950 0.137 0.000 2.368 124 F HA 0.617 5.145 4.527 0.002 0.000 0.315 124 F C 1.495 177.386 175.800 0.152 0.000 1.145 124 F CA -0.577 57.526 58.000 0.172 0.000 1.095 124 F CB 0.340 39.337 39.000 -0.006 0.000 1.286 124 F HN -0.117 nan 8.300 nan 0.000 0.530 125 G N 0.718 109.760 108.800 0.403 0.000 2.361 125 G HA2 0.461 4.422 3.960 0.002 0.000 0.260 125 G HA3 0.461 4.422 3.960 0.002 0.000 0.260 125 G C -1.295 173.631 174.900 0.043 0.000 1.261 125 G CA -0.129 45.094 45.100 0.205 0.000 0.897 125 G HN 0.759 nan 8.290 nan 0.000 0.499 126 D N -1.017 119.362 120.400 -0.036 0.000 2.725 126 D HA 0.101 4.742 4.640 0.002 0.000 0.292 126 D C -0.276 175.936 176.300 -0.147 0.000 1.288 126 D CA -0.790 53.087 54.000 -0.205 0.000 0.784 126 D CB 0.292 40.982 40.800 -0.185 0.000 1.308 126 D HN 0.385 nan 8.370 nan 0.000 0.429 127 H N -0.702 118.250 119.070 -0.196 0.000 2.519 127 H HA 0.198 4.755 4.556 0.002 0.000 0.289 127 H C 0.862 176.052 175.328 -0.231 0.000 1.040 127 H CA -0.134 55.708 56.048 -0.344 0.000 1.165 127 H CB 0.517 29.912 29.762 -0.612 0.000 1.462 127 H HN 0.284 nan 8.280 nan 0.000 0.555 128 Q N 0.952 120.754 119.800 0.004 0.000 2.135 128 Q HA -0.184 4.157 4.340 0.002 0.000 0.204 128 Q C 1.729 177.732 176.000 0.006 0.000 0.981 128 Q CA 1.731 57.562 55.803 0.046 0.000 0.856 128 Q CB 0.100 28.848 28.738 0.016 0.000 0.902 128 Q HN 0.671 nan 8.270 nan 0.000 0.425 129 D N 0.799 121.163 120.400 -0.060 0.000 2.103 129 D HA -0.169 4.472 4.640 0.002 0.000 0.199 129 D C 1.889 178.090 176.300 -0.164 0.000 0.978 129 D CA 1.206 55.152 54.000 -0.090 0.000 0.829 129 D CB -0.533 40.214 40.800 -0.088 0.000 0.981 129 D HN 0.458 nan 8.370 nan 0.000 0.464 130 I N -2.160 118.215 120.570 -0.325 0.000 2.394 130 I HA -0.165 4.006 4.170 0.002 0.000 0.251 130 I C 2.036 177.969 176.117 -0.306 0.000 1.136 130 I CA 0.936 61.939 61.300 -0.495 0.000 1.425 130 I CB -0.900 36.425 38.000 -1.125 0.000 1.079 130 I HN -0.209 nan 8.210 nan 0.000 0.425 131 Y N 1.671 121.828 120.300 -0.239 0.000 2.439 131 Y HA 0.145 4.696 4.550 0.002 0.000 0.292 131 Y C 2.718 178.566 175.900 -0.088 0.000 1.130 131 Y CA 0.381 58.401 58.100 -0.134 0.000 1.254 131 Y CB -0.911 37.486 38.460 -0.105 0.000 1.000 131 Y HN 0.269 nan 8.280 nan 0.000 0.554 132 A N -0.428 122.420 122.820 0.047 0.000 2.014 132 A HA 0.119 4.440 4.320 0.002 0.000 0.218 132 A C 2.131 179.688 177.584 -0.045 0.000 1.163 132 A CA 1.310 53.348 52.037 0.001 0.000 0.652 132 A CB -0.701 18.290 19.000 -0.016 0.000 0.808 132 A HN 0.268 nan 8.150 nan 0.000 0.449 133 A N -1.194 121.568 122.820 -0.096 0.000 2.460 133 A HA 0.302 4.623 4.320 0.002 0.000 0.258 133 A C 1.728 179.217 177.584 -0.158 0.000 1.300 133 A CA 0.122 52.049 52.037 -0.184 0.000 0.913 133 A CB -0.409 18.430 19.000 -0.268 0.000 1.031 133 A HN 0.454 nan 8.150 nan 0.000 0.512 134 R N 0.574 121.051 120.500 -0.039 0.000 2.096 134 R HA -0.195 4.146 4.340 0.002 0.000 0.240 134 R C 2.128 178.404 176.300 -0.040 0.000 1.139 134 R CA 1.965 58.091 56.100 0.044 0.000 0.952 134 R CB -0.050 30.322 30.300 0.119 0.000 0.854 134 R HN 0.735 nan 8.270 nan 0.000 0.436 135 Q N 0.083 119.837 119.800 -0.077 0.000 2.444 135 Q HA -0.053 4.288 4.340 0.002 0.000 0.206 135 Q C 1.212 177.066 176.000 -0.243 0.000 0.948 135 Q CA 1.473 57.220 55.803 -0.093 0.000 0.946 135 Q CB -0.018 28.719 28.738 -0.002 0.000 1.027 135 Q HN 0.355 nan 8.270 nan 0.000 0.513 136 T N -3.232 111.058 114.554 -0.440 0.000 3.072 136 T HA 0.219 4.570 4.350 0.002 0.000 0.266 136 T C 1.377 175.896 174.700 -0.301 0.000 1.127 136 T CA 0.921 62.554 62.100 -0.777 0.000 1.107 136 T CB -0.255 68.158 68.868 -0.759 0.000 0.910 136 T HN 0.564 nan 8.240 nan 0.000 0.513 137 G N 0.263 109.000 108.800 -0.104 0.000 2.141 137 G HA2 -0.171 3.790 3.960 0.002 0.000 0.231 137 G HA3 -0.171 3.790 3.960 0.002 0.000 0.231 137 G C -0.204 174.820 174.900 0.207 0.000 0.984 137 G CA -0.281 44.842 45.100 0.038 0.000 0.660 137 G HN 0.493 nan 8.290 nan 0.000 0.525 138 F N 1.518 121.378 119.950 -0.150 0.000 2.371 138 F HA 0.723 5.251 4.527 0.002 0.000 0.329 138 F C 0.885 176.544 175.800 -0.234 0.000 1.107 138 F CA -0.301 57.564 58.000 -0.225 0.000 1.137 138 F CB 1.491 40.315 39.000 -0.294 0.000 1.214 138 F HN 0.318 nan 8.300 nan 0.000 0.536 139 A N 4.413 127.006 122.820 -0.379 0.000 2.316 139 A HA 0.701 5.022 4.320 0.002 0.000 0.284 139 A C -0.639 176.777 177.584 -0.281 0.000 1.115 139 A CA -0.503 51.180 52.037 -0.590 0.000 0.812 139 A CB 0.271 18.277 19.000 -1.657 0.000 1.064 139 A HN 0.760 nan 8.150 nan 0.000 0.489 140 M N 2.701 122.281 119.600 -0.033 0.000 2.142 140 M HA 0.392 4.873 4.480 0.002 0.000 0.299 140 M C -1.172 175.299 176.300 0.285 0.000 0.960 140 M CA 0.160 55.623 55.300 0.271 0.000 0.920 140 M CB 1.666 34.523 32.600 0.427 0.000 1.541 140 M HN 0.539 nan 8.290 nan 0.000 0.429 141 L N 2.912 124.294 121.223 0.265 0.000 2.342 141 L HA 0.781 5.122 4.340 0.002 0.000 0.276 141 L C -0.385 176.355 176.870 -0.217 0.000 0.997 141 L CA -0.459 54.447 54.840 0.109 0.000 0.838 141 L CB 1.497 43.708 42.059 0.254 0.000 1.224 141 L HN 0.872 nan 8.230 nan 0.000 0.416 142 A N 3.169 125.708 122.820 -0.468 0.000 2.279 142 A HA 0.747 5.068 4.320 0.002 0.000 0.303 142 A C -0.311 177.093 177.584 -0.299 0.000 1.108 142 A CA -0.275 51.247 52.037 -0.858 0.000 0.830 142 A CB 1.334 19.879 19.000 -0.758 0.000 1.106 142 A HN 0.604 nan 8.150 nan 0.000 0.493 143 S N -0.662 114.921 115.700 -0.194 0.000 2.521 143 S HA 0.503 4.974 4.470 0.002 0.000 0.295 143 S C 0.508 175.158 174.600 0.083 0.000 1.098 143 S CA -0.106 58.114 58.200 0.032 0.000 0.999 143 S CB 1.634 64.963 63.200 0.214 0.000 1.034 143 S HN 0.886 nan 8.310 nan 0.000 0.483 144 S N 0.754 116.518 115.700 0.108 0.000 2.578 144 S HA 0.360 4.831 4.470 0.002 0.000 0.231 144 S C 0.187 174.880 174.600 0.154 0.000 0.994 144 S CA -0.425 57.864 58.200 0.150 0.000 0.956 144 S CB -0.017 63.273 63.200 0.149 0.000 0.870 144 S HN 0.748 nan 8.310 nan 0.000 0.494 145 S N -0.716 115.066 115.700 0.137 0.000 2.587 145 S HA 0.489 4.960 4.470 0.002 0.000 0.269 145 S C 0.617 175.265 174.600 0.080 0.000 1.154 145 S CA -0.563 57.709 58.200 0.119 0.000 0.824 145 S CB 0.799 64.067 63.200 0.114 0.000 1.118 145 S HN -0.094 nan 8.310 nan 0.000 0.462 146 V N 1.099 121.054 119.914 0.069 0.000 2.324 146 V HA -0.222 3.899 4.120 0.002 0.000 0.250 146 V C 2.847 178.961 176.094 0.033 0.000 1.060 146 V CA 2.660 64.976 62.300 0.027 0.000 1.042 146 V CB -1.076 30.778 31.823 0.051 0.000 0.650 146 V HN 0.990 nan 8.190 nan 0.000 0.450 147 Q N 0.192 120.033 119.800 0.069 0.000 2.230 147 Q HA -0.158 4.183 4.340 0.002 0.000 0.202 147 Q C 2.018 178.104 176.000 0.142 0.000 0.963 147 Q CA 1.682 57.538 55.803 0.088 0.000 0.866 147 Q CB -0.202 28.590 28.738 0.091 0.000 0.931 147 Q HN 0.711 nan 8.270 nan 0.000 0.452 148 E N -0.876 119.403 120.200 0.133 0.000 2.299 148 E HA 0.026 4.377 4.350 0.002 0.000 0.193 148 E C 1.708 178.329 176.600 0.035 0.000 0.998 148 E CA 0.455 56.923 56.400 0.114 0.000 0.851 148 E CB 0.025 29.783 29.700 0.097 0.000 0.795 148 E HN 0.478 nan 8.360 nan 0.000 0.492 149 A N 1.491 124.324 122.820 0.021 0.000 1.933 149 A HA -0.231 4.090 4.320 0.002 0.000 0.218 149 A C 2.050 179.583 177.584 -0.085 0.000 1.175 149 A CA 1.530 53.540 52.037 -0.044 0.000 0.628 149 A CB -0.664 18.100 19.000 -0.394 0.000 0.814 149 A HN 0.338 nan 8.150 nan 0.000 0.444 150 H N 0.202 119.220 119.070 -0.086 0.000 2.326 150 H HA -0.120 4.437 4.556 0.002 0.000 0.301 150 H C 1.205 176.504 175.328 -0.048 0.000 1.081 150 H CA 1.876 57.897 56.048 -0.046 0.000 1.334 150 H CB -0.145 29.607 29.762 -0.018 0.000 1.385 150 H HN 0.396 nan 8.280 nan 0.000 0.504 151 D N 0.442 120.920 120.400 0.130 0.000 2.103 151 D HA -0.111 4.530 4.640 0.002 0.000 0.199 151 D C 2.404 178.620 176.300 -0.140 0.000 0.978 151 D CA 0.729 54.783 54.000 0.090 0.000 0.829 151 D CB -0.088 40.852 40.800 0.234 0.000 0.981 151 D HN 0.325 nan 8.370 nan 0.000 0.464 152 M N 0.709 120.159 119.600 -0.251 0.000 2.229 152 M HA 0.045 4.526 4.480 0.002 0.000 0.264 152 M C 2.238 178.254 176.300 -0.474 0.000 1.063 152 M CA 0.492 55.602 55.300 -0.316 0.000 1.114 152 M CB -1.156 31.326 32.600 -0.197 0.000 1.387 152 M HN -0.048 nan 8.290 nan 0.000 0.420 153 A N 0.194 122.618 122.820 -0.660 0.000 1.933 153 A HA -0.134 4.187 4.320 0.002 0.000 0.218 153 A C 2.332 179.861 177.584 -0.092 0.000 1.175 153 A CA 1.214 53.013 52.037 -0.396 0.000 0.628 153 A CB -0.818 18.024 19.000 -0.264 0.000 0.814 153 A HN 0.452 nan 8.150 nan 0.000 0.444 154 L N -0.339 120.776 121.223 -0.181 0.000 2.044 154 L HA -0.112 4.229 4.340 0.002 0.000 0.205 154 L C 2.482 179.269 176.870 -0.138 0.000 1.075 154 L CA 1.335 56.096 54.840 -0.131 0.000 0.747 154 L CB -0.278 41.698 42.059 -0.138 0.000 0.903 154 L HN 0.279 nan 8.230 nan 0.000 0.435 155 V N 0.155 119.979 119.914 -0.150 0.000 2.343 155 V HA -0.273 3.848 4.120 0.002 0.000 0.247 155 V C 2.784 178.645 176.094 -0.387 0.000 1.051 155 V CA 1.612 63.807 62.300 -0.176 0.000 1.036 155 V CB -0.945 30.820 31.823 -0.095 0.000 0.654 155 V HN 0.538 nan 8.190 nan 0.000 0.451 156 A N -1.016 121.574 122.820 -0.383 0.000 1.883 156 A HA -0.263 4.058 4.320 0.002 0.000 0.217 156 A C 2.178 179.348 177.584 -0.689 0.000 1.186 156 A CA 1.922 53.579 52.037 -0.632 0.000 0.624 156 A CB -0.820 18.040 19.000 -0.233 0.000 0.822 156 A HN 0.640 nan 8.150 nan 0.000 0.444 157 H N -0.317 118.535 119.070 -0.363 0.000 2.293 157 H HA -0.063 4.494 4.556 0.002 0.000 0.300 157 H C 2.158 177.234 175.328 -0.420 0.000 1.082 157 H CA 1.915 57.781 56.048 -0.303 0.000 1.308 157 H CB -0.344 29.310 29.762 -0.179 0.000 1.375 157 H HN 0.411 nan 8.280 nan 0.000 0.495 158 L N -0.006 120.989 121.223 -0.380 0.000 2.083 158 L HA -0.145 4.196 4.340 0.002 0.000 0.209 158 L C 2.841 179.156 176.870 -0.926 0.000 1.083 158 L CA 1.022 55.448 54.840 -0.690 0.000 0.752 158 L CB -0.381 41.115 42.059 -0.939 0.000 0.899 158 L HN 0.209 nan 8.230 nan 0.000 0.433 159 A N -0.386 121.916 122.820 -0.862 0.000 1.970 159 A HA 0.042 4.363 4.320 0.002 0.000 0.216 159 A C 2.508 179.842 177.584 -0.416 0.000 1.170 159 A CA 1.157 52.835 52.037 -0.599 0.000 0.645 159 A CB -0.475 18.224 19.000 -0.501 0.000 0.816 159 A HN 0.351 nan 8.150 nan 0.000 0.447 160 A N 0.316 122.808 122.820 -0.547 0.000 1.902 160 A HA -0.079 4.242 4.320 0.002 0.000 0.217 160 A C 2.059 179.514 177.584 -0.216 0.000 1.181 160 A CA 1.496 53.395 52.037 -0.230 0.000 0.623 160 A CB -0.596 18.264 19.000 -0.234 0.000 0.818 160 A HN 0.484 nan 8.150 nan 0.000 0.443 161 I N -0.838 119.579 120.570 -0.255 0.000 2.226 161 I HA -0.236 3.935 4.170 0.002 0.000 0.245 161 I C 2.607 178.656 176.117 -0.112 0.000 1.100 161 I CA 1.731 62.905 61.300 -0.209 0.000 1.374 161 I CB -0.252 37.651 38.000 -0.163 0.000 1.057 161 I HN 0.457 nan 8.210 nan 0.000 0.413 162 E N 0.487 120.634 120.200 -0.088 0.000 2.112 162 E HA -0.152 4.199 4.350 0.002 0.000 0.190 162 E C 2.234 178.862 176.600 0.047 0.000 0.979 162 E CA 1.443 57.857 56.400 0.023 0.000 0.814 162 E CB 0.186 29.965 29.700 0.131 0.000 0.762 162 E HN 0.503 nan 8.360 nan 0.000 0.460 163 S N -0.707 115.011 115.700 0.029 0.000 2.470 163 S HA 0.041 4.512 4.470 0.002 0.000 0.222 163 S C 0.809 175.447 174.600 0.064 0.000 1.024 163 S CA 0.671 58.912 58.200 0.068 0.000 0.931 163 S CB 0.008 63.263 63.200 0.091 0.000 0.791 163 S HN 0.408 nan 8.310 nan 0.000 0.513 164 N N -0.690 117.991 118.700 -0.031 0.000 2.948 164 N HA -0.125 4.616 4.740 0.002 0.000 0.239 164 N C -1.062 174.327 175.510 -0.202 0.000 0.954 164 N CA 0.552 53.535 53.050 -0.111 0.000 0.941 164 N CB -1.289 37.153 38.487 -0.076 0.000 1.101 164 N HN 0.304 nan 8.380 nan 0.000 0.579 165 V N 2.167 121.967 119.914 -0.189 0.000 2.383 165 V HA 0.328 4.448 4.120 0.002 0.000 0.275 165 V C -1.755 174.147 176.094 -0.320 0.000 1.036 165 V CA -1.319 60.772 62.300 -0.349 0.000 0.889 165 V CB 1.233 32.745 31.823 -0.518 0.000 0.985 165 V HN -0.028 nan 8.190 nan 0.000 0.459 166 P HA 0.083 nan 4.420 nan 0.000 0.266 166 P C -0.963 175.817 177.300 -0.866 0.000 1.195 166 P CA 0.212 62.807 63.100 -0.840 0.000 0.768 166 P CB 0.545 31.327 31.700 -1.531 0.000 0.838 167 F N 1.833 121.378 119.950 -0.675 0.000 2.556 167 F HA 0.586 5.114 4.527 0.002 0.000 0.327 167 F C 0.802 176.552 175.800 -0.084 0.000 1.059 167 F CA -0.900 56.906 58.000 -0.324 0.000 0.953 167 F CB 1.987 40.852 39.000 -0.225 0.000 1.227 167 F HN 0.173 nan 8.300 nan 0.000 0.478 168 M N 3.383 123.166 119.600 0.306 0.000 2.007 168 M HA 0.307 4.788 4.480 0.002 0.000 0.285 168 M C -1.872 174.663 176.300 0.392 0.000 0.893 168 M CA -0.594 54.916 55.300 0.351 0.000 0.925 168 M CB 0.526 33.310 32.600 0.305 0.000 1.568 168 M HN 0.697 nan 8.290 nan 0.000 0.414 169 H N 5.652 124.865 119.070 0.238 0.000 2.668 169 H HA 0.533 5.090 4.556 0.002 0.000 0.303 169 H C -1.786 173.775 175.328 0.388 0.000 1.074 169 H CA -0.128 56.081 56.048 0.269 0.000 1.406 169 H CB 0.382 30.314 29.762 0.283 0.000 1.442 169 H HN 0.563 nan 8.280 nan 0.000 0.482 170 F N 4.347 124.149 119.950 -0.246 0.000 2.593 170 F HA 0.708 5.236 4.527 0.002 0.000 0.320 170 F C -1.917 173.792 175.800 -0.152 0.000 1.060 170 F CA -1.595 56.220 58.000 -0.309 0.000 0.940 170 F CB 1.148 40.011 39.000 -0.228 0.000 1.268 170 F HN 0.354 nan 8.300 nan 0.000 0.475 171 F N -1.089 118.853 119.950 -0.014 0.000 2.654 171 F HA 0.489 5.017 4.527 0.002 0.000 0.308 171 F C -1.238 174.676 175.800 0.189 0.000 1.108 171 F CA -1.675 56.352 58.000 0.044 0.000 0.957 171 F CB 0.515 39.538 39.000 0.039 0.000 1.309 171 F HN 0.373 nan 8.300 nan 0.000 0.446 172 D N 1.626 122.222 120.400 0.328 0.000 2.493 172 D HA 0.276 4.917 4.640 0.002 0.000 0.240 172 D C 0.604 177.032 176.300 0.213 0.000 1.142 172 D CA 0.598 54.752 54.000 0.255 0.000 0.872 172 D CB 1.085 42.042 40.800 0.261 0.000 1.173 172 D HN 1.016 nan 8.370 nan 0.000 0.467 173 G N 1.501 110.381 108.800 0.133 0.000 2.272 173 G HA2 0.182 4.143 3.960 0.002 0.000 0.247 173 G HA3 0.182 4.143 3.960 0.002 0.000 0.247 173 G C 0.450 175.535 174.900 0.307 0.000 1.272 173 G CA -0.147 45.010 45.100 0.096 0.000 0.921 173 G HN 0.489 nan 8.290 nan 0.000 0.495 174 F N -0.086 120.016 119.950 0.253 0.000 2.551 174 F HA -0.318 4.210 4.527 0.001 0.000 0.704 174 F C 2.401 178.500 175.800 0.498 0.000 0.486 174 F CA 1.998 60.182 58.000 0.307 0.000 0.741 174 F CB -1.024 38.151 39.000 0.290 0.000 1.617 174 F HN 0.476 nan 8.300 nan 0.000 0.268 175 R N 0.564 121.406 120.500 0.570 0.000 2.154 175 R HA -0.115 4.226 4.340 0.002 0.000 0.248 175 R C 1.653 178.150 176.300 0.328 0.000 1.155 175 R CA 2.313 58.619 56.100 0.344 0.000 0.979 175 R CB -0.960 29.469 30.300 0.215 0.000 0.869 175 R HN 0.663 nan 8.270 nan 0.000 0.452 176 T N -1.744 113.043 114.554 0.389 0.000 3.028 176 T HA -0.004 4.347 4.350 0.002 0.000 0.250 176 T C 1.521 176.468 174.700 0.412 0.000 0.979 176 T CA 0.600 62.922 62.100 0.369 0.000 1.004 176 T CB 0.109 69.210 68.868 0.389 0.000 1.120 176 T HN 0.361 nan 8.240 nan 0.000 0.482 177 S N 1.265 117.285 115.700 0.533 0.000 2.423 177 S HA -0.125 4.346 4.470 0.002 0.000 0.231 177 S C 1.309 176.094 174.600 0.308 0.000 1.014 177 S CA 1.233 59.742 58.200 0.516 0.000 0.965 177 S CB -0.390 63.104 63.200 0.490 0.000 0.785 177 S HN 0.555 nan 8.310 nan 0.000 0.495 178 H N 0.446 119.663 119.070 0.246 0.000 2.784 178 H HA 0.470 5.027 4.556 0.002 0.000 0.273 178 H C -0.105 175.400 175.328 0.296 0.000 1.112 178 H CA -0.393 55.801 56.048 0.244 0.000 1.162 178 H CB 0.321 30.258 29.762 0.292 0.000 1.586 178 H HN 0.582 nan 8.280 nan 0.000 0.548 179 E N 1.829 122.280 120.200 0.419 0.000 2.229 179 E HA 0.194 4.545 4.350 0.002 0.000 0.283 179 E C -0.400 176.331 176.600 0.217 0.000 1.030 179 E CA -0.695 55.925 56.400 0.367 0.000 0.836 179 E CB 0.883 30.773 29.700 0.317 0.000 1.068 179 E HN 0.392 nan 8.360 nan 0.000 0.401 180 I N 2.831 123.508 120.570 0.178 0.000 2.385 180 I HA 0.360 4.531 4.170 0.002 0.000 0.294 180 I C -0.861 175.309 176.117 0.088 0.000 0.988 180 I CA -0.264 61.116 61.300 0.133 0.000 1.265 180 I CB 1.251 39.344 38.000 0.156 0.000 1.388 180 I HN 0.587 nan 8.210 nan 0.000 0.480 181 Q N 5.064 124.912 119.800 0.079 0.000 2.456 181 Q HA 0.346 4.687 4.340 0.002 0.000 0.284 181 Q C -1.364 174.678 176.000 0.070 0.000 1.061 181 Q CA -0.935 54.911 55.803 0.072 0.000 0.799 181 Q CB 1.927 30.712 28.738 0.077 0.000 1.445 181 Q HN 0.657 nan 8.270 nan 0.000 0.411 182 K N 4.204 124.656 120.400 0.087 0.000 2.250 182 K HA 0.298 4.619 4.320 0.002 0.000 0.285 182 K C -0.526 176.108 176.600 0.056 0.000 1.097 182 K CA -0.052 56.270 56.287 0.058 0.000 0.913 182 K CB -0.322 32.201 32.500 0.039 0.000 1.179 182 K HN 0.612 nan 8.250 nan 0.000 0.462 183 I N -0.865 119.713 120.570 0.014 0.000 3.654 183 I HA 0.556 4.727 4.170 0.002 0.000 0.278 183 I C -0.891 175.182 176.117 -0.073 0.000 1.193 183 I CA -1.007 60.287 61.300 -0.010 0.000 1.087 183 I CB 1.720 39.705 38.000 -0.026 0.000 1.372 183 I HN 0.441 nan 8.210 nan 0.000 0.507 184 E N 1.531 121.655 120.200 -0.126 0.000 2.260 184 E HA 0.505 4.856 4.350 0.002 0.000 0.266 184 E C -1.573 174.812 176.600 -0.359 0.000 0.887 184 E CA -0.773 55.522 56.400 -0.175 0.000 0.777 184 E CB 2.607 32.241 29.700 -0.110 0.000 1.205 184 E HN 0.653 nan 8.360 nan 0.000 0.414 185 V N 2.154 121.840 119.914 -0.380 0.000 2.732 185 V HA 0.604 4.724 4.120 0.002 0.000 0.310 185 V C -0.181 175.821 176.094 -0.154 0.000 1.053 185 V CA -0.843 61.128 62.300 -0.549 0.000 0.957 185 V CB 1.359 32.841 31.823 -0.569 0.000 1.018 185 V HN 0.663 nan 8.190 nan 0.000 0.452 186 L N 1.408 122.718 121.223 0.145 0.000 2.454 186 L HA 0.528 4.869 4.340 0.002 0.000 0.256 186 L C 0.067 177.134 176.870 0.328 0.000 1.136 186 L CA -0.532 54.444 54.840 0.228 0.000 0.804 186 L CB 1.070 43.301 42.059 0.287 0.000 1.181 186 L HN 0.710 nan 8.230 nan 0.000 0.469 187 D N -0.958 119.566 120.400 0.207 0.000 2.253 187 D HA 0.098 4.739 4.640 0.002 0.000 0.249 187 D C 0.667 177.118 176.300 0.251 0.000 1.049 187 D CA -0.242 53.861 54.000 0.173 0.000 0.929 187 D CB 0.999 41.841 40.800 0.070 0.000 1.176 187 D HN 0.231 nan 8.370 nan 0.000 0.437 188 Y N 1.027 121.299 120.300 -0.047 0.000 2.193 188 Y HA -0.185 4.366 4.550 0.002 0.000 0.285 188 Y C 2.262 178.116 175.900 -0.075 0.000 1.166 188 Y CA 1.008 59.053 58.100 -0.092 0.000 1.181 188 Y CB -1.032 37.352 38.460 -0.127 0.000 0.976 188 Y HN 0.471 nan 8.280 nan 0.000 0.520 189 A N 0.090 122.974 122.820 0.107 0.000 1.930 189 A HA -0.181 4.140 4.320 0.002 0.000 0.217 189 A C 1.859 179.459 177.584 0.027 0.000 1.175 189 A CA 1.867 53.927 52.037 0.037 0.000 0.627 189 A CB -0.754 18.263 19.000 0.027 0.000 0.815 189 A HN 0.407 nan 8.150 nan 0.000 0.443 190 D N -0.380 120.051 120.400 0.052 0.000 2.144 190 D HA -0.121 4.520 4.640 0.002 0.000 0.200 190 D C 1.977 178.298 176.300 0.036 0.000 0.978 190 D CA 1.362 55.392 54.000 0.050 0.000 0.833 190 D CB -0.286 40.559 40.800 0.075 0.000 0.961 190 D HN 0.467 nan 8.370 nan 0.000 0.470 191 M N 0.394 120.007 119.600 0.021 0.000 2.132 191 M HA -0.063 4.418 4.480 0.002 0.000 0.263 191 M C 2.327 178.580 176.300 -0.077 0.000 1.065 191 M CA 1.260 56.538 55.300 -0.037 0.000 1.122 191 M CB -0.254 32.282 32.600 -0.107 0.000 1.365 191 M HN 0.043 nan 8.290 nan 0.000 0.411 192 A N 0.497 123.260 122.820 -0.096 0.000 1.972 192 A HA -0.159 4.162 4.320 0.002 0.000 0.219 192 A C 2.275 179.825 177.584 -0.057 0.000 1.169 192 A CA 2.081 54.043 52.037 -0.125 0.000 0.635 192 A CB -0.856 18.060 19.000 -0.139 0.000 0.810 192 A HN 0.605 nan 8.150 nan 0.000 0.446 193 S N -1.065 114.625 115.700 -0.016 0.000 2.453 193 S HA 0.012 4.483 4.470 0.002 0.000 0.231 193 S C 1.426 176.048 174.600 0.036 0.000 1.005 193 S CA 1.033 59.240 58.200 0.012 0.000 0.949 193 S CB -0.257 62.955 63.200 0.020 0.000 0.774 193 S HN 0.205 nan 8.310 nan 0.000 0.510 194 L N 1.814 123.064 121.223 0.046 0.000 2.492 194 L HA 0.354 4.695 4.340 0.002 0.000 0.223 194 L C 0.550 177.506 176.870 0.143 0.000 1.132 194 L CA 0.068 54.975 54.840 0.111 0.000 0.850 194 L CB -0.829 41.309 42.059 0.131 0.000 0.966 194 L HN 0.188 nan 8.230 nan 0.000 0.454 195 V N 1.468 121.413 119.914 0.052 0.000 2.585 195 V HA -0.013 4.108 4.120 0.002 0.000 0.296 195 V C 0.866 177.010 176.094 0.084 0.000 1.035 195 V CA -0.308 62.013 62.300 0.035 0.000 1.084 195 V CB 0.481 32.303 31.823 -0.002 0.000 0.953 195 V HN 0.335 nan 8.190 nan 0.000 0.483 196 N N 5.050 123.811 118.700 0.102 0.000 2.448 196 N HA 0.063 4.804 4.740 0.002 0.000 0.250 196 N C 1.082 176.647 175.510 0.091 0.000 1.136 196 N CA -0.195 52.922 53.050 0.111 0.000 0.953 196 N CB 1.107 39.677 38.487 0.137 0.000 1.251 196 N HN 0.609 nan 8.380 nan 0.000 0.502 197 Q N 2.827 122.679 119.800 0.086 0.000 2.170 197 Q HA -0.128 4.213 4.340 0.002 0.000 0.203 197 Q C 0.942 176.992 176.000 0.082 0.000 0.976 197 Q CA 1.402 57.259 55.803 0.091 0.000 0.858 197 Q CB 0.062 28.848 28.738 0.080 0.000 0.907 197 Q HN 0.537 nan 8.270 nan 0.000 0.433 198 K N 0.794 121.236 120.400 0.070 0.000 2.155 198 K HA 0.018 4.339 4.320 0.002 0.000 0.203 198 K C 2.051 178.695 176.600 0.073 0.000 1.052 198 K CA 1.049 57.373 56.287 0.061 0.000 0.948 198 K CB -0.205 32.324 32.500 0.049 0.000 0.728 198 K HN 0.164 nan 8.250 nan 0.000 0.448 199 A N 0.860 123.729 122.820 0.082 0.000 1.898 199 A HA -0.094 4.227 4.320 0.002 0.000 0.216 199 A C 2.061 179.719 177.584 0.124 0.000 1.181 199 A CA 1.049 53.141 52.037 0.090 0.000 0.620 199 A CB -0.485 18.560 19.000 0.076 0.000 0.819 199 A HN 0.220 nan 8.150 nan 0.000 0.442 200 L N -0.380 120.920 121.223 0.129 0.000 2.141 200 L HA 0.019 4.360 4.340 0.002 0.000 0.209 200 L C 2.569 179.540 176.870 0.169 0.000 1.094 200 L CA 1.934 56.885 54.840 0.185 0.000 0.763 200 L CB -0.629 41.535 42.059 0.175 0.000 0.908 200 L HN 0.330 nan 8.230 nan 0.000 0.437 201 A N -1.194 121.689 122.820 0.105 0.000 1.968 201 A HA -0.141 4.180 4.320 0.002 0.000 0.217 201 A C 2.182 179.793 177.584 0.045 0.000 1.169 201 A CA 1.334 53.404 52.037 0.056 0.000 0.638 201 A CB -0.444 18.580 19.000 0.039 0.000 0.812 201 A HN 0.538 nan 8.150 nan 0.000 0.446 202 E N -1.301 118.944 120.200 0.075 0.000 2.150 202 E HA -0.121 4.230 4.350 0.002 0.000 0.193 202 E C 1.654 178.319 176.600 0.108 0.000 0.985 202 E CA 0.995 57.437 56.400 0.069 0.000 0.814 202 E CB -0.205 29.544 29.700 0.082 0.000 0.752 202 E HN 0.681 nan 8.360 nan 0.000 0.466 203 F N 1.839 121.791 119.950 0.005 0.000 2.075 203 F HA -0.127 4.401 4.527 0.002 0.000 0.297 203 F C 2.163 177.968 175.800 0.008 0.000 1.113 203 F CA 1.465 59.467 58.000 0.003 0.000 1.218 203 F CB -0.220 38.781 39.000 0.002 0.000 0.984 203 F HN -0.230 nan 8.300 nan 0.000 0.472 204 R N 0.419 120.754 120.500 -0.275 0.000 2.091 204 R HA -0.091 4.250 4.340 0.002 0.000 0.238 204 R C 2.489 178.677 176.300 -0.186 0.000 1.136 204 R CA 1.650 57.537 56.100 -0.355 0.000 0.959 204 R CB -1.048 29.144 30.300 -0.181 0.000 0.856 204 R HN 0.411 nan 8.270 nan 0.000 0.437 205 A N 1.185 123.943 122.820 -0.103 0.000 1.969 205 A HA -0.177 4.144 4.320 0.002 0.000 0.218 205 A C 1.737 179.281 177.584 -0.066 0.000 1.169 205 A CA 1.680 53.654 52.037 -0.106 0.000 0.635 205 A CB -0.354 18.576 19.000 -0.117 0.000 0.810 205 A HN 0.444 nan 8.150 nan 0.000 0.445 206 K N -0.440 119.939 120.400 -0.034 0.000 2.444 206 K HA 0.222 4.543 4.320 0.002 0.000 0.193 206 K C 0.335 176.962 176.600 0.043 0.000 1.024 206 K CA 0.383 56.665 56.287 -0.008 0.000 1.077 206 K CB 0.060 32.551 32.500 -0.014 0.000 0.833 206 K HN 0.195 nan 8.250 nan 0.000 0.517 207 S N 1.328 117.039 115.700 0.019 0.000 2.608 207 S HA 0.176 4.647 4.470 0.002 0.000 0.261 207 S C 0.173 174.869 174.600 0.160 0.000 1.314 207 S CA -0.622 57.594 58.200 0.027 0.000 0.992 207 S CB 0.447 63.524 63.200 -0.205 0.000 0.935 207 S HN 0.219 nan 8.310 nan 0.000 0.564 208 M N 3.163 122.819 119.600 0.094 0.000 2.268 208 M HA 0.121 4.602 4.480 0.002 0.000 0.349 208 M C 0.200 176.407 176.300 -0.155 0.000 1.485 208 M CA 0.604 55.871 55.300 -0.055 0.000 1.094 208 M CB -0.163 32.367 32.600 -0.117 0.000 1.843 208 M HN 0.471 nan 8.290 nan 0.000 0.460 209 N N 5.066 123.596 118.700 -0.283 0.000 2.493 209 N HA 0.266 5.007 4.740 0.002 0.000 0.279 209 N C -2.503 172.771 175.510 -0.394 0.000 1.082 209 N CA -1.106 51.705 53.050 -0.399 0.000 0.963 209 N CB 2.531 40.609 38.487 -0.681 0.000 1.627 209 N HN 0.240 nan 8.380 nan 0.000 0.499 210 P HA -0.002 nan 4.420 nan 0.000 0.234 210 P C 0.396 177.600 177.300 -0.159 0.000 1.167 210 P CA 0.909 63.902 63.100 -0.179 0.000 0.763 210 P CB 0.606 32.230 31.700 -0.126 0.000 0.835 211 E N -0.366 119.702 120.200 -0.219 0.000 2.481 211 E HA -0.051 4.300 4.350 0.002 0.000 0.195 211 E C 0.610 177.206 176.600 -0.006 0.000 1.047 211 E CA 0.274 56.612 56.400 -0.102 0.000 0.867 211 E CB -0.051 29.619 29.700 -0.050 0.000 0.858 211 E HN 0.554 nan 8.360 nan 0.000 0.513 212 H N -1.948 117.116 119.070 -0.009 0.000 2.803 212 H HA 0.225 4.782 4.556 0.002 0.000 0.219 212 H C -2.979 172.365 175.328 0.026 0.000 1.379 212 H CA -1.701 54.353 56.048 0.009 0.000 1.415 212 H CB -0.256 29.514 29.762 0.013 0.000 1.943 212 H HN -0.055 nan 8.280 nan 0.000 0.569 213 P HA 0.167 nan 4.420 nan 0.000 0.274 213 P C -0.212 177.130 177.300 0.070 0.000 1.246 213 P CA 0.331 63.406 63.100 -0.041 0.000 0.795 213 P CB 1.716 33.368 31.700 -0.079 0.000 1.006 214 H N -1.677 117.397 119.070 0.006 0.000 2.990 214 H HA 0.508 5.065 4.556 0.002 0.000 0.336 214 H C -1.644 173.689 175.328 0.008 0.000 1.306 214 H CA -1.078 54.980 56.048 0.017 0.000 1.118 214 H CB 1.459 31.240 29.762 0.031 0.000 1.856 214 H HN 0.328 nan 8.280 nan 0.000 0.538 215 V N 1.759 121.758 119.914 0.142 0.000 2.417 215 V HA 0.606 4.727 4.120 0.002 0.000 0.291 215 V C -0.242 175.971 176.094 0.198 0.000 1.024 215 V CA -0.669 61.677 62.300 0.076 0.000 0.861 215 V CB 1.288 33.133 31.823 0.038 0.000 0.985 215 V HN 1.023 nan 8.190 nan 0.000 0.436 216 R N 4.469 125.064 120.500 0.158 0.000 2.803 216 R HA 0.808 5.149 4.340 0.002 0.000 0.276 216 R C 0.319 176.686 176.300 0.111 0.000 0.978 216 R CA -0.212 55.994 56.100 0.177 0.000 0.939 216 R CB 1.797 32.248 30.300 0.252 0.000 1.179 216 R HN 2.024 nan 8.270 nan 0.000 0.472 217 G N 1.694 110.564 108.800 0.117 0.000 2.341 217 G HA2 -0.272 3.689 3.960 0.002 0.000 0.278 217 G HA3 -0.272 3.689 3.960 0.002 0.000 0.278 217 G C -0.038 174.910 174.900 0.080 0.000 1.111 217 G CA 0.288 45.451 45.100 0.105 0.000 0.982 217 G HN 1.059 nan 8.290 nan 0.000 0.502 218 T N -1.954 112.649 114.554 0.082 0.000 2.874 218 T HA 0.799 5.150 4.350 0.002 0.000 0.281 218 T C 0.586 175.331 174.700 0.075 0.000 0.994 218 T CA 0.301 62.443 62.100 0.070 0.000 1.015 218 T CB 2.174 71.084 68.868 0.069 0.000 1.028 218 T HN 1.840 nan 8.240 nan 0.000 0.523 219 A N 1.866 124.721 122.820 0.059 0.000 2.274 219 A HA 0.559 4.880 4.320 0.002 0.000 0.309 219 A C 0.012 177.636 177.584 0.066 0.000 1.226 219 A CA -0.767 51.302 52.037 0.053 0.000 0.853 219 A CB 0.376 19.392 19.000 0.027 0.000 1.146 219 A HN 0.861 nan 8.150 nan 0.000 0.518 220 Q N 1.696 121.551 119.800 0.091 0.000 2.353 220 Q HA 0.299 4.640 4.340 0.002 0.000 0.268 220 Q C -0.642 175.403 176.000 0.075 0.000 1.045 220 Q CA -0.526 55.348 55.803 0.119 0.000 0.811 220 Q CB 2.076 30.952 28.738 0.230 0.000 1.305 220 Q HN 0.930 nan 8.270 nan 0.000 0.447 221 N N 1.529 120.271 118.700 0.071 0.000 2.405 221 N HA 0.157 4.898 4.740 0.002 0.000 0.269 221 N C -1.878 173.677 175.510 0.075 0.000 1.249 221 N CA -1.449 51.627 53.050 0.043 0.000 0.974 221 N CB 0.558 39.067 38.487 0.036 0.000 1.204 221 N HN 0.293 nan 8.380 nan 0.000 0.565 222 P HA -0.161 nan 4.420 nan 0.000 0.219 222 P C 0.309 177.679 177.300 0.117 0.000 1.146 222 P CA 1.092 64.242 63.100 0.082 0.000 0.808 222 P CB 0.028 31.756 31.700 0.046 0.000 0.779 223 D N 0.028 120.480 120.400 0.087 0.000 2.178 223 D HA -0.174 4.467 4.640 0.002 0.000 0.201 223 D C 1.657 178.012 176.300 0.092 0.000 0.980 223 D CA 1.423 55.469 54.000 0.077 0.000 0.842 223 D CB -1.046 39.786 40.800 0.054 0.000 0.948 223 D HN 0.353 nan 8.370 nan 0.000 0.472 224 I N -4.963 115.679 120.570 0.120 0.000 4.526 224 I HA 0.284 4.455 4.170 0.002 0.000 0.330 224 I C 1.759 177.977 176.117 0.168 0.000 1.323 224 I CA -0.676 60.694 61.300 0.117 0.000 1.218 224 I CB -0.104 37.943 38.000 0.079 0.000 1.233 224 I HN -0.166 nan 8.210 nan 0.000 0.430 225 Y N 1.819 122.171 120.300 0.087 0.000 2.128 225 Y HA -0.281 4.270 4.550 0.002 0.000 0.284 225 Y C 2.346 178.351 175.900 0.175 0.000 1.154 225 Y CA 2.312 60.470 58.100 0.097 0.000 1.149 225 Y CB -0.289 38.209 38.460 0.063 0.000 0.976 225 Y HN 0.273 nan 8.280 nan 0.000 0.505 226 F N 1.397 121.425 119.950 0.130 0.000 2.126 226 F HA -0.255 4.273 4.527 0.002 0.000 0.299 226 F C 2.105 177.871 175.800 -0.057 0.000 1.096 226 F CA 2.127 60.145 58.000 0.030 0.000 1.255 226 F CB -0.966 38.084 39.000 0.083 0.000 0.997 226 F HN 0.216 nan 8.300 nan 0.000 0.479 227 Q N -0.392 119.450 119.800 0.068 0.000 2.079 227 Q HA -0.035 4.306 4.340 0.002 0.000 0.200 227 Q C 2.592 178.579 176.000 -0.022 0.000 0.974 227 Q CA 1.659 57.436 55.803 -0.043 0.000 0.840 227 Q CB -1.108 27.605 28.738 -0.042 0.000 0.898 227 Q HN 0.471 nan 8.270 nan 0.000 0.430 228 G N 0.458 109.239 108.800 -0.031 0.000 2.422 228 G HA2 -0.321 3.640 3.960 0.002 0.000 0.218 228 G HA3 -0.321 3.640 3.960 0.002 0.000 0.218 228 G C 1.537 176.376 174.900 -0.101 0.000 1.146 228 G CA 0.819 45.882 45.100 -0.061 0.000 0.769 228 G HN 0.151 nan 8.290 nan 0.000 0.547 229 R N 0.562 120.950 120.500 -0.187 0.000 2.120 229 R HA 0.004 4.345 4.340 0.002 0.000 0.234 229 R C 2.142 178.429 176.300 -0.022 0.000 1.123 229 R CA 1.162 57.156 56.100 -0.177 0.000 0.975 229 R CB -0.134 30.013 30.300 -0.255 0.000 0.866 229 R HN 0.246 nan 8.270 nan 0.000 0.446 230 E N -0.635 119.585 120.200 0.034 0.000 2.478 230 E HA 0.070 4.421 4.350 0.002 0.000 0.194 230 E C 1.354 177.982 176.600 0.046 0.000 1.045 230 E CA 0.695 57.124 56.400 0.049 0.000 0.868 230 E CB 0.428 30.144 29.700 0.026 0.000 0.885 230 E HN 0.403 nan 8.360 nan 0.000 0.505 231 A N 0.956 123.800 122.820 0.040 0.000 2.119 231 A HA 0.072 4.393 4.320 0.002 0.000 0.217 231 A C 2.173 179.847 177.584 0.150 0.000 1.153 231 A CA 1.207 53.285 52.037 0.069 0.000 0.692 231 A CB -0.080 18.947 19.000 0.045 0.000 0.799 231 A HN 0.186 nan 8.150 nan 0.000 0.458 232 A N -0.017 122.903 122.820 0.168 0.000 2.218 232 A HA 0.011 4.332 4.320 0.002 0.000 0.209 232 A C 1.532 179.376 177.584 0.432 0.000 1.168 232 A CA 0.684 52.908 52.037 0.311 0.000 0.804 232 A CB -0.714 18.431 19.000 0.242 0.000 0.834 232 A HN 0.695 nan 8.150 nan 0.000 0.482 233 N N 0.791 119.645 118.700 0.256 0.000 2.073 233 N HA -0.214 4.527 4.740 0.002 0.000 0.199 233 N C -1.014 174.614 175.510 0.197 0.000 1.023 233 N CA 1.869 55.043 53.050 0.207 0.000 0.880 233 N CB -1.034 37.514 38.487 0.101 0.000 1.052 233 N HN 0.315 nan 8.380 nan 0.000 0.449 234 P HA -0.196 nan 4.420 nan 0.000 0.217 234 P C 0.770 177.971 177.300 -0.166 0.000 1.158 234 P CA 1.386 64.434 63.100 -0.087 0.000 0.887 234 P CB -0.123 31.444 31.700 -0.222 0.000 0.792 235 Y N -3.028 117.282 120.300 0.018 0.000 2.224 235 Y HA -0.204 4.347 4.550 0.002 0.000 0.289 235 Y C 2.360 178.168 175.900 -0.154 0.000 1.146 235 Y CA 1.342 59.390 58.100 -0.087 0.000 1.182 235 Y CB -1.477 36.883 38.460 -0.168 0.000 0.983 235 Y HN 0.048 nan 8.280 nan 0.000 0.524 236 Y N -0.902 119.474 120.300 0.126 0.000 2.395 236 Y HA -0.103 4.448 4.550 0.002 0.000 0.293 236 Y C 2.143 178.059 175.900 0.028 0.000 1.123 236 Y CA 0.830 58.961 58.100 0.052 0.000 1.227 236 Y CB -0.417 38.063 38.460 0.034 0.000 1.012 236 Y HN 0.067 nan 8.280 nan 0.000 0.552 237 L N -0.413 120.898 121.223 0.147 0.000 2.156 237 L HA -0.186 4.155 4.340 0.002 0.000 0.208 237 L C 1.946 178.840 176.870 0.041 0.000 1.095 237 L CA 1.419 56.307 54.840 0.080 0.000 0.770 237 L CB -0.289 41.799 42.059 0.048 0.000 0.914 237 L HN 0.086 nan 8.230 nan 0.000 0.439 238 K N -0.844 119.561 120.400 0.007 0.000 2.365 238 K HA -0.053 4.268 4.320 0.002 0.000 0.197 238 K C 1.947 178.564 176.600 0.027 0.000 1.042 238 K CA 0.303 56.587 56.287 -0.005 0.000 0.987 238 K CB 0.106 32.573 32.500 -0.056 0.000 0.779 238 K HN 0.047 nan 8.250 nan 0.000 0.484 239 V N 1.962 121.895 119.914 0.032 0.000 2.407 239 V HA -0.134 3.987 4.120 0.002 0.000 0.248 239 V C -1.233 174.928 176.094 0.111 0.000 1.055 239 V CA 1.652 63.995 62.300 0.070 0.000 1.049 239 V CB -0.389 31.433 31.823 -0.002 0.000 0.662 239 V HN 0.174 nan 8.190 nan 0.000 0.455 240 P HA -0.052 nan 4.420 nan 0.000 0.216 240 P C 1.666 179.012 177.300 0.077 0.000 1.153 240 P CA 1.783 64.929 63.100 0.078 0.000 0.848 240 P CB -0.470 31.267 31.700 0.062 0.000 0.787 241 G N -0.558 108.279 108.800 0.061 0.000 2.422 241 G HA2 -0.188 3.773 3.960 0.002 0.000 0.218 241 G HA3 -0.188 3.773 3.960 0.002 0.000 0.218 241 G C 1.491 176.417 174.900 0.043 0.000 1.140 241 G CA 0.358 45.484 45.100 0.043 0.000 0.775 241 G HN 0.235 nan 8.290 nan 0.000 0.545 242 I N 0.173 120.791 120.570 0.080 0.000 2.500 242 I HA -0.074 4.097 4.170 0.002 0.000 0.252 242 I C 2.634 178.875 176.117 0.207 0.000 1.142 242 I CA 0.172 61.548 61.300 0.128 0.000 1.451 242 I CB -0.001 38.108 38.000 0.183 0.000 1.093 242 I HN 0.016 nan 8.210 nan 0.000 0.430 243 V N 1.157 121.181 119.914 0.183 0.000 2.270 243 V HA -0.258 3.863 4.120 0.002 0.000 0.245 243 V C 2.720 178.891 176.094 0.128 0.000 1.043 243 V CA 2.050 64.457 62.300 0.180 0.000 1.014 243 V CB -0.845 31.091 31.823 0.189 0.000 0.645 243 V HN 0.474 nan 8.190 nan 0.000 0.447 244 A N -0.384 122.487 122.820 0.084 0.000 2.019 244 A HA -0.266 4.055 4.320 0.002 0.000 0.219 244 A C 2.275 179.868 177.584 0.015 0.000 1.164 244 A CA 1.945 54.016 52.037 0.057 0.000 0.644 244 A CB -0.476 18.553 19.000 0.048 0.000 0.805 244 A HN 0.710 nan 8.150 nan 0.000 0.449 245 E N -1.311 118.865 120.200 -0.039 0.000 2.046 245 E HA -0.204 4.147 4.350 0.002 0.000 0.190 245 E C 1.624 178.052 176.600 -0.286 0.000 0.982 245 E CA 1.190 57.475 56.400 -0.192 0.000 0.800 245 E CB -0.321 29.194 29.700 -0.309 0.000 0.756 245 E HN 0.681 nan 8.360 nan 0.000 0.449 246 Y N 0.556 120.855 120.300 -0.002 0.000 2.373 246 Y HA -0.033 4.518 4.550 0.002 0.000 0.293 246 Y C 2.435 178.347 175.900 0.020 0.000 1.129 246 Y CA 1.081 59.176 58.100 -0.010 0.000 1.226 246 Y CB -0.152 38.276 38.460 -0.054 0.000 1.000 246 Y HN 0.066 nan 8.280 nan 0.000 0.549 247 M N -0.617 119.068 119.600 0.142 0.000 2.159 247 M HA -0.294 4.187 4.480 0.002 0.000 0.263 247 M C 1.929 178.310 176.300 0.134 0.000 1.063 247 M CA 1.833 57.230 55.300 0.161 0.000 1.110 247 M CB -0.390 32.305 32.600 0.158 0.000 1.374 247 M HN 0.307 nan 8.290 nan 0.000 0.411 248 Q N -0.022 119.815 119.800 0.062 0.000 2.096 248 Q HA -0.093 4.248 4.340 0.002 0.000 0.197 248 Q C 1.995 178.009 176.000 0.023 0.000 0.964 248 Q CA 1.120 56.942 55.803 0.031 0.000 0.838 248 Q CB 0.024 28.759 28.738 -0.005 0.000 0.906 248 Q HN 0.435 nan 8.270 nan 0.000 0.444 249 K N 0.033 120.432 120.400 -0.002 0.000 2.026 249 K HA -0.126 4.195 4.320 0.002 0.000 0.208 249 K C 2.041 178.684 176.600 0.070 0.000 1.048 249 K CA 1.419 57.713 56.287 0.012 0.000 0.929 249 K CB -0.094 32.394 32.500 -0.020 0.000 0.713 249 K HN 0.025 nan 8.250 nan 0.000 0.439 250 V N 1.200 121.183 119.914 0.115 0.000 2.427 250 V HA -0.206 3.915 4.120 0.002 0.000 0.248 250 V C 2.238 178.400 176.094 0.114 0.000 1.051 250 V CA 1.898 64.277 62.300 0.131 0.000 1.048 250 V CB -0.585 31.336 31.823 0.164 0.000 0.666 250 V HN 0.345 nan 8.190 nan 0.000 0.456 251 A N 0.768 123.649 122.820 0.101 0.000 2.067 251 A HA -0.148 4.173 4.320 0.002 0.000 0.219 251 A C 2.425 180.032 177.584 0.037 0.000 1.158 251 A CA 1.759 53.833 52.037 0.061 0.000 0.661 251 A CB -0.522 18.502 19.000 0.040 0.000 0.801 251 A HN 0.681 nan 8.150 nan 0.000 0.452 252 S N -0.758 114.965 115.700 0.038 0.000 2.489 252 S HA 0.110 4.581 4.470 0.002 0.000 0.228 252 S C 1.588 176.206 174.600 0.031 0.000 0.995 252 S CA 0.962 59.178 58.200 0.026 0.000 0.934 252 S CB -0.309 62.902 63.200 0.019 0.000 0.771 252 S HN 0.461 nan 8.310 nan 0.000 0.522 253 L N 1.275 122.525 121.223 0.045 0.000 2.286 253 L HA 0.089 4.430 4.340 0.002 0.000 0.203 253 L C 2.993 179.890 176.870 0.044 0.000 1.068 253 L CA 1.297 56.165 54.840 0.047 0.000 0.811 253 L CB -0.589 41.510 42.059 0.065 0.000 0.989 253 L HN 0.511 nan 8.230 nan 0.000 0.467 254 T N -3.980 110.606 114.554 0.054 0.000 3.031 254 T HA 0.157 4.508 4.350 0.002 0.000 0.254 254 T C 1.524 176.235 174.700 0.018 0.000 1.060 254 T CA 0.753 62.878 62.100 0.041 0.000 1.135 254 T CB 0.437 69.348 68.868 0.072 0.000 0.896 254 T HN 0.394 nan 8.240 nan 0.000 0.472 255 G N 1.635 110.443 108.800 0.012 0.000 2.157 255 G HA2 -0.210 3.751 3.960 0.002 0.000 0.239 255 G HA3 -0.210 3.751 3.960 0.002 0.000 0.239 255 G C 0.070 174.945 174.900 -0.042 0.000 0.982 255 G CA -0.177 44.919 45.100 -0.008 0.000 0.650 255 G HN 0.683 nan 8.290 nan 0.000 0.527 256 R N 0.834 121.298 120.500 -0.061 0.000 2.288 256 R HA 0.565 4.906 4.340 0.002 0.000 0.326 256 R C -0.427 175.692 176.300 -0.302 0.000 0.959 256 R CA -0.278 55.706 56.100 -0.193 0.000 0.834 256 R CB 1.469 31.679 30.300 -0.149 0.000 1.157 256 R HN 0.164 nan 8.270 nan 0.000 0.470 257 S N 2.205 117.697 115.700 -0.346 0.000 2.578 257 S HA 0.574 5.045 4.470 0.002 0.000 0.283 257 S C -1.033 173.329 174.600 -0.398 0.000 1.195 257 S CA -0.380 57.680 58.200 -0.233 0.000 1.050 257 S CB 0.727 63.871 63.200 -0.092 0.000 1.012 257 S HN 0.347 nan 8.310 nan 0.000 0.511 258 Y N 0.349 120.676 120.300 0.045 0.000 2.615 258 Y HA 0.556 5.107 4.550 0.002 0.000 0.341 258 Y C 0.043 175.970 175.900 0.045 0.000 1.089 258 Y CA -1.031 57.097 58.100 0.047 0.000 1.049 258 Y CB 1.635 40.121 38.460 0.044 0.000 1.296 258 Y HN 0.435 nan 8.280 nan 0.000 0.470 259 K N 0.362 120.898 120.400 0.226 0.000 2.444 259 K HA 0.372 4.693 4.320 0.002 0.000 0.252 259 K C -0.160 176.491 176.600 0.084 0.000 0.993 259 K CA -0.863 55.509 56.287 0.142 0.000 0.847 259 K CB 2.153 34.737 32.500 0.140 0.000 1.340 259 K HN 0.339 nan 8.250 nan 0.000 0.446 260 L N 0.731 121.974 121.223 0.035 0.000 2.013 260 L HA -0.080 4.261 4.340 0.002 0.000 0.212 260 L C 0.197 176.855 176.870 -0.354 0.000 1.073 260 L CA 1.888 56.642 54.840 -0.144 0.000 0.753 260 L CB -0.334 41.677 42.059 -0.080 0.000 0.890 260 L HN 0.415 nan 8.230 nan 0.000 0.432 261 F N -1.472 118.509 119.950 0.052 0.000 2.547 261 F HA 0.380 4.908 4.527 0.002 0.000 0.316 261 F C -0.162 175.693 175.800 0.091 0.000 1.121 261 F CA -1.202 56.842 58.000 0.073 0.000 0.911 261 F CB 1.532 40.560 39.000 0.046 0.000 1.179 261 F HN -0.246 nan 8.300 nan 0.000 0.443 262 D N 2.037 122.611 120.400 0.290 0.000 2.502 262 D HA 0.140 4.781 4.640 0.002 0.000 0.249 262 D C -1.388 175.052 176.300 0.233 0.000 1.092 262 D CA -0.346 53.792 54.000 0.229 0.000 0.839 262 D CB 2.393 43.306 40.800 0.188 0.000 1.264 262 D HN 0.435 nan 8.370 nan 0.000 0.511 263 Y N 1.953 122.311 120.300 0.098 0.000 2.320 263 Y HA 0.457 5.008 4.550 0.002 0.000 0.324 263 Y C -0.749 175.201 175.900 0.083 0.000 1.190 263 Y CA -0.129 58.021 58.100 0.082 0.000 1.215 263 Y CB 1.082 39.571 38.460 0.049 0.000 1.221 263 Y HN 0.104 nan 8.280 nan 0.000 0.486 264 V N 4.936 124.402 119.914 -0.746 0.000 2.851 264 V HA 0.779 4.900 4.120 0.002 0.000 0.307 264 V C -0.100 175.580 176.094 -0.689 0.000 1.129 264 V CA 0.212 62.235 62.300 -0.462 0.000 0.932 264 V CB 1.428 33.140 31.823 -0.185 0.000 1.024 264 V HN 1.236 nan 8.190 nan 0.000 0.426 265 G N 3.822 112.444 108.800 -0.296 0.000 2.384 265 G HA2 0.415 4.376 3.960 0.002 0.000 0.204 265 G HA3 0.415 4.376 3.960 0.002 0.000 0.204 265 G C -0.030 174.928 174.900 0.097 0.000 1.237 265 G CA -0.013 45.011 45.100 -0.127 0.000 1.060 265 G HN 1.870 nan 8.290 nan 0.000 0.514 266 A N 0.547 123.457 122.820 0.150 0.000 2.520 266 A HA 0.606 4.927 4.320 0.002 0.000 0.245 266 A C -0.645 177.099 177.584 0.267 0.000 1.072 266 A CA 0.376 52.518 52.037 0.175 0.000 0.761 266 A CB 0.201 19.265 19.000 0.107 0.000 1.004 266 A HN 0.429 nan 8.150 nan 0.000 0.499 267 P HA -0.069 nan 4.420 nan 0.000 0.222 267 P C 0.070 177.386 177.300 0.027 0.000 1.147 267 P CA 1.436 64.590 63.100 0.090 0.000 0.790 267 P CB 0.199 31.936 31.700 0.061 0.000 0.780 268 D N -1.655 118.777 120.400 0.052 0.000 2.980 268 D HA 0.253 4.894 4.640 0.002 0.000 0.333 268 D C -0.119 176.214 176.300 0.056 0.000 1.356 268 D CA -0.741 53.279 54.000 0.032 0.000 0.847 268 D CB -0.374 40.441 40.800 0.026 0.000 1.122 268 D HN -0.090 nan 8.370 nan 0.000 0.475 269 A N 0.447 123.322 122.820 0.092 0.000 2.407 269 A HA 0.283 4.604 4.320 0.002 0.000 0.248 269 A C 0.900 178.545 177.584 0.102 0.000 1.082 269 A CA -0.284 51.831 52.037 0.129 0.000 0.785 269 A CB 0.616 19.766 19.000 0.251 0.000 1.020 269 A HN 0.270 nan 8.150 nan 0.000 0.489 270 E N 0.826 121.086 120.200 0.099 0.000 2.340 270 E HA 0.052 4.403 4.350 0.002 0.000 0.198 270 E C -0.069 176.602 176.600 0.118 0.000 0.961 270 E CA 0.348 56.800 56.400 0.087 0.000 0.905 270 E CB 0.350 30.088 29.700 0.063 0.000 0.884 270 E HN 0.638 nan 8.360 nan 0.000 0.491 271 R N 1.350 121.948 120.500 0.164 0.000 2.409 271 R HA 0.469 4.810 4.340 0.002 0.000 0.313 271 R C -1.248 175.251 176.300 0.333 0.000 0.953 271 R CA -0.360 55.876 56.100 0.226 0.000 0.849 271 R CB 2.336 32.791 30.300 0.258 0.000 1.171 271 R HN -0.136 nan 8.270 nan 0.000 0.458 272 V N 4.827 124.916 119.914 0.290 0.000 2.769 272 V HA 0.547 4.668 4.120 0.002 0.000 0.312 272 V C -0.114 176.123 176.094 0.239 0.000 1.061 272 V CA -0.807 61.691 62.300 0.330 0.000 0.931 272 V CB 2.564 34.590 31.823 0.337 0.000 1.010 272 V HN 0.621 nan 8.190 nan 0.000 0.433 273 I N 2.932 123.629 120.570 0.211 0.000 2.474 273 I HA 0.526 4.697 4.170 0.002 0.000 0.294 273 I C -0.860 175.388 176.117 0.219 0.000 1.005 273 I CA -0.897 60.480 61.300 0.129 0.000 1.113 273 I CB 2.229 40.221 38.000 -0.013 0.000 1.289 273 I HN 0.245 nan 8.210 nan 0.000 0.436 274 V N 4.852 124.917 119.914 0.252 0.000 2.417 274 V HA 0.522 4.643 4.120 0.002 0.000 0.291 274 V C -0.106 176.148 176.094 0.267 0.000 1.024 274 V CA -0.106 62.393 62.300 0.332 0.000 0.861 274 V CB 1.579 33.675 31.823 0.455 0.000 0.985 274 V HN 0.817 nan 8.190 nan 0.000 0.436 275 S N 4.305 120.166 115.700 0.269 0.000 2.720 275 S HA 0.884 5.355 4.470 0.002 0.000 0.287 275 S C -1.159 173.608 174.600 0.278 0.000 1.168 275 S CA -0.660 57.678 58.200 0.231 0.000 0.832 275 S CB 1.908 65.171 63.200 0.105 0.000 1.166 275 S HN 0.725 nan 8.310 nan 0.000 0.493 276 M N 1.345 121.123 119.600 0.297 0.000 2.413 276 M HA 0.590 5.071 4.480 0.002 0.000 0.287 276 M C -0.289 176.232 176.300 0.368 0.000 1.186 276 M CA 0.743 56.216 55.300 0.289 0.000 0.927 276 M CB 1.473 34.227 32.600 0.256 0.000 1.715 276 M HN 1.176 nan 8.290 nan 0.000 0.478 277 G N 1.657 110.609 108.800 0.253 0.000 2.615 277 G HA2 -0.241 3.720 3.960 0.002 0.000 0.218 277 G HA3 -0.241 3.720 3.960 0.002 0.000 0.218 277 G C 0.304 175.353 174.900 0.247 0.000 1.339 277 G CA 0.280 45.553 45.100 0.289 0.000 0.884 277 G HN 1.450 nan 8.290 nan 0.000 0.559 278 S N -0.425 115.427 115.700 0.255 0.000 2.440 278 S HA -0.117 4.354 4.470 0.002 0.000 0.238 278 S C 2.621 177.358 174.600 0.229 0.000 1.010 278 S CA 2.502 60.835 58.200 0.222 0.000 0.972 278 S CB -0.675 62.652 63.200 0.212 0.000 0.774 278 S HN 2.307 nan 8.310 nan 0.000 0.501 279 S N 0.959 116.811 115.700 0.253 0.000 2.419 279 S HA -0.140 4.331 4.470 0.002 0.000 0.235 279 S C 1.952 176.687 174.600 0.224 0.000 1.019 279 S CA 0.998 59.353 58.200 0.258 0.000 0.982 279 S CB -1.516 61.682 63.200 -0.003 0.000 0.789 279 S HN 0.690 nan 8.310 nan 0.000 0.490 280 C N 1.941 121.353 119.300 0.186 0.000 2.425 280 C HA 0.012 4.473 4.460 0.002 0.000 0.277 280 C C 2.969 178.052 174.990 0.154 0.000 1.280 280 C CA 0.640 59.758 59.018 0.165 0.000 1.744 280 C CB -1.192 26.645 27.740 0.161 0.000 1.989 280 C HN 0.591 nan 8.230 nan 0.000 0.491 281 E N 0.538 120.833 120.200 0.158 0.000 2.051 281 E HA -0.155 4.196 4.350 0.002 0.000 0.192 281 E C 2.236 178.924 176.600 0.146 0.000 0.991 281 E CA 1.670 58.153 56.400 0.137 0.000 0.799 281 E CB -0.721 29.059 29.700 0.133 0.000 0.748 281 E HN 0.584 nan 8.360 nan 0.000 0.449 282 T N 1.592 116.257 114.554 0.185 0.000 2.821 282 T HA -0.022 4.329 4.350 0.002 0.000 0.267 282 T C 2.100 176.869 174.700 0.115 0.000 1.046 282 T CA 0.608 62.817 62.100 0.181 0.000 1.139 282 T CB -0.120 68.861 68.868 0.189 0.000 0.871 282 T HN 0.097 nan 8.240 nan 0.000 0.454 283 I N 0.897 121.554 120.570 0.145 0.000 2.226 283 I HA -0.151 4.020 4.170 0.002 0.000 0.245 283 I C 2.700 178.900 176.117 0.139 0.000 1.100 283 I CA 1.338 62.728 61.300 0.150 0.000 1.374 283 I CB -0.339 37.772 38.000 0.186 0.000 1.057 283 I HN 0.334 nan 8.210 nan 0.000 0.413 284 E N 1.126 121.393 120.200 0.113 0.000 2.077 284 E HA -0.288 4.063 4.350 0.002 0.000 0.193 284 E C 2.139 178.783 176.600 0.073 0.000 0.989 284 E CA 1.270 57.715 56.400 0.076 0.000 0.800 284 E CB -0.006 29.728 29.700 0.057 0.000 0.746 284 E HN 0.419 nan 8.360 nan 0.000 0.452 285 E N -0.059 120.194 120.200 0.087 0.000 2.085 285 E HA -0.192 4.159 4.350 0.002 0.000 0.194 285 E C 2.062 178.724 176.600 0.103 0.000 0.994 285 E CA 1.435 57.889 56.400 0.090 0.000 0.801 285 E CB 0.151 29.922 29.700 0.119 0.000 0.743 285 E HN 0.172 nan 8.360 nan 0.000 0.453 286 V N 1.186 121.165 119.914 0.109 0.000 2.307 286 V HA -0.249 3.872 4.120 0.002 0.000 0.245 286 V C 2.412 178.588 176.094 0.136 0.000 1.045 286 V CA 1.528 63.917 62.300 0.148 0.000 1.024 286 V CB -0.380 31.523 31.823 0.133 0.000 0.651 286 V HN 0.329 nan 8.190 nan 0.000 0.449 287 I N 0.608 121.224 120.570 0.077 0.000 2.151 287 I HA -0.347 3.824 4.170 0.002 0.000 0.243 287 I C 2.265 178.386 176.117 0.007 0.000 1.080 287 I CA 2.226 63.519 61.300 -0.012 0.000 1.339 287 I CB -0.581 37.416 38.000 -0.005 0.000 1.039 287 I HN 0.447 nan 8.210 nan 0.000 0.409 288 N N -0.850 117.875 118.700 0.041 0.000 2.149 288 N HA -0.260 4.481 4.740 0.002 0.000 0.188 288 N C 1.963 177.507 175.510 0.057 0.000 1.019 288 N CA 0.907 53.979 53.050 0.037 0.000 0.857 288 N CB -0.186 38.326 38.487 0.042 0.000 0.997 288 N HN 0.465 nan 8.380 nan 0.000 0.426 289 H N 0.719 119.788 119.070 -0.002 0.000 2.307 289 H HA -0.004 4.553 4.556 0.002 0.000 0.303 289 H C 1.871 177.193 175.328 -0.010 0.000 1.073 289 H CA 1.010 57.052 56.048 -0.009 0.000 1.338 289 H CB 0.097 29.855 29.762 -0.006 0.000 1.389 289 H HN 0.070 nan 8.280 nan 0.000 0.503 290 L N 1.190 122.469 121.223 0.094 0.000 2.093 290 L HA -0.045 4.296 4.340 0.002 0.000 0.208 290 L C 2.928 179.748 176.870 -0.083 0.000 1.085 290 L CA 1.625 56.461 54.840 -0.007 0.000 0.755 290 L CB -1.150 40.901 42.059 -0.013 0.000 0.904 290 L HN 0.332 nan 8.230 nan 0.000 0.435 291 A N -0.955 121.821 122.820 -0.072 0.000 2.066 291 A HA 0.024 4.345 4.320 0.002 0.000 0.218 291 A C 2.379 179.924 177.584 -0.064 0.000 1.157 291 A CA 1.193 53.192 52.037 -0.063 0.000 0.670 291 A CB -0.624 18.351 19.000 -0.042 0.000 0.804 291 A HN 0.339 nan 8.150 nan 0.000 0.453 292 A N -0.431 122.335 122.820 -0.091 0.000 2.119 292 A HA -0.006 4.315 4.320 0.002 0.000 0.217 292 A C 1.900 179.414 177.584 -0.116 0.000 1.153 292 A CA 1.304 53.281 52.037 -0.101 0.000 0.692 292 A CB -0.214 18.710 19.000 -0.127 0.000 0.799 292 A HN 0.483 nan 8.150 nan 0.000 0.458 293 K N -1.828 118.492 120.400 -0.133 0.000 2.367 293 K HA 0.249 4.570 4.320 0.002 0.000 0.194 293 K C 1.031 177.592 176.600 -0.064 0.000 1.027 293 K CA 0.523 56.744 56.287 -0.110 0.000 1.075 293 K CB 0.294 32.716 32.500 -0.130 0.000 0.845 293 K HN 0.563 nan 8.250 nan 0.000 0.529 294 G N 1.392 110.160 108.800 -0.054 0.000 2.211 294 G HA2 -0.193 3.768 3.960 0.002 0.000 0.201 294 G HA3 -0.193 3.768 3.960 0.002 0.000 0.201 294 G C -0.346 174.536 174.900 -0.031 0.000 0.997 294 G CA -0.521 44.558 45.100 -0.034 0.000 0.652 294 G HN 0.246 nan 8.290 nan 0.000 0.500 295 E N 1.001 121.173 120.200 -0.046 0.000 2.414 295 E HA 0.225 4.576 4.350 0.002 0.000 0.263 295 E C -0.093 176.480 176.600 -0.045 0.000 1.000 295 E CA 0.135 56.503 56.400 -0.054 0.000 0.914 295 E CB 0.552 30.195 29.700 -0.094 0.000 0.948 295 E HN 0.002 nan 8.360 nan 0.000 0.444 296 K N 3.607 123.993 120.400 -0.023 0.000 2.535 296 K HA 0.275 4.596 4.320 0.002 0.000 0.242 296 K C 0.099 176.715 176.600 0.026 0.000 1.210 296 K CA -0.104 56.191 56.287 0.012 0.000 1.178 296 K CB -0.794 31.723 32.500 0.030 0.000 1.778 296 K HN 0.469 nan 8.250 nan 0.000 0.372 297 I N -3.249 117.310 120.570 -0.019 0.000 2.846 297 I HA 0.880 5.051 4.170 0.002 0.000 0.307 297 I C 0.008 176.171 176.117 0.077 0.000 1.053 297 I CA -1.045 60.246 61.300 -0.016 0.000 1.050 297 I CB 2.584 40.317 38.000 -0.446 0.000 1.239 297 I HN 0.191 nan 8.210 nan 0.000 0.439 298 G N 2.801 111.734 108.800 0.221 0.000 2.663 298 G HA2 0.654 4.615 3.960 0.002 0.000 0.299 298 G HA3 0.654 4.615 3.960 0.002 0.000 0.299 298 G C -2.231 172.768 174.900 0.165 0.000 1.372 298 G CA -0.733 44.437 45.100 0.116 0.000 0.781 298 G HN 0.792 nan 8.290 nan 0.000 0.491 299 L N -0.562 120.579 121.223 -0.138 0.000 2.482 299 L HA 0.782 5.123 4.340 0.002 0.000 0.263 299 L C -1.479 175.432 176.870 0.068 0.000 0.957 299 L CA -0.666 54.204 54.840 0.050 0.000 0.836 299 L CB 1.941 44.040 42.059 0.066 0.000 1.324 299 L HN 0.493 nan 8.230 nan 0.000 0.406 300 I N 4.481 125.198 120.570 0.245 0.000 2.330 300 I HA 0.393 4.564 4.170 0.002 0.000 0.289 300 I C -0.360 175.940 176.117 0.306 0.000 1.001 300 I CA -0.607 60.871 61.300 0.297 0.000 1.193 300 I CB 1.297 39.468 38.000 0.285 0.000 1.345 300 I HN 0.528 nan 8.210 nan 0.000 0.461 301 K N 6.202 126.767 120.400 0.275 0.000 2.211 301 K HA 0.408 4.729 4.320 0.002 0.000 0.275 301 K C -0.528 176.245 176.600 0.289 0.000 1.024 301 K CA -0.605 55.833 56.287 0.252 0.000 0.887 301 K CB 2.346 34.958 32.500 0.187 0.000 1.084 301 K HN 0.443 nan 8.250 nan 0.000 0.463 302 V N 3.171 123.257 119.914 0.287 0.000 2.407 302 V HA 0.277 4.398 4.120 0.002 0.000 0.278 302 V C 0.339 176.424 176.094 -0.016 0.000 1.037 302 V CA -0.140 62.252 62.300 0.154 0.000 0.900 302 V CB 1.282 33.321 31.823 0.360 0.000 0.983 302 V HN 0.740 nan 8.190 nan 0.000 0.459 303 R N 4.248 124.634 120.500 -0.189 0.000 2.056 303 R HA 0.448 4.789 4.340 0.002 0.000 0.215 303 R C 0.266 176.469 176.300 -0.162 0.000 1.205 303 R CA 0.378 56.388 56.100 -0.150 0.000 1.020 303 R CB -0.319 29.905 30.300 -0.125 0.000 0.911 303 R HN 0.659 nan 8.270 nan 0.000 0.451 304 L N 1.499 122.547 121.223 -0.291 0.000 2.283 304 L HA 0.147 4.488 4.340 0.002 0.000 0.287 304 L C 0.202 176.980 176.870 -0.153 0.000 1.073 304 L CA -0.006 54.733 54.840 -0.168 0.000 0.822 304 L CB 0.778 42.740 42.059 -0.162 0.000 1.186 304 L HN 0.215 nan 8.230 nan 0.000 0.436 305 Y N 5.101 125.399 120.300 -0.004 0.000 2.347 305 Y HA 0.301 4.852 4.550 0.002 0.000 0.294 305 Y C 0.400 176.443 175.900 0.238 0.000 1.117 305 Y CA 0.580 58.792 58.100 0.187 0.000 1.184 305 Y CB 0.373 39.009 38.460 0.293 0.000 1.047 305 Y HN 0.413 nan 8.280 nan 0.000 0.546 306 R N 0.726 121.225 120.500 -0.002 0.000 2.515 306 R HA 0.333 4.674 4.340 0.002 0.000 0.291 306 R C -3.061 173.202 176.300 -0.061 0.000 1.046 306 R CA -2.247 53.807 56.100 -0.076 0.000 0.914 306 R CB 1.535 31.790 30.300 -0.075 0.000 1.191 306 R HN 0.007 nan 8.270 nan 0.000 0.435 307 P HA 0.112 nan 4.420 nan 0.000 0.271 307 P C -0.571 176.751 177.300 0.038 0.000 1.216 307 P CA -0.222 62.895 63.100 0.029 0.000 0.776 307 P CB 0.346 32.091 31.700 0.076 0.000 0.881 308 F N 4.063 123.977 119.950 -0.060 0.000 2.438 308 F HA 0.200 4.728 4.527 0.002 0.000 0.360 308 F C -0.230 175.626 175.800 0.093 0.000 1.118 308 F CA 0.063 58.081 58.000 0.030 0.000 1.164 308 F CB 0.352 39.304 39.000 -0.078 0.000 1.131 308 F HN -0.026 nan 8.300 nan 0.000 0.527 309 V N 6.604 126.495 119.914 -0.038 0.000 2.294 309 V HA 0.104 4.225 4.120 0.002 0.000 0.272 309 V C 0.752 176.819 176.094 -0.046 0.000 1.027 309 V CA -0.228 62.104 62.300 0.053 0.000 0.823 309 V CB 0.693 32.578 31.823 0.103 0.000 1.030 309 V HN 0.917 nan 8.190 nan 0.000 0.457 310 S N 2.610 118.305 115.700 -0.010 0.000 2.383 310 S HA -0.181 4.290 4.470 0.002 0.000 0.229 310 S C 1.971 176.518 174.600 -0.089 0.000 1.030 310 S CA 1.547 59.677 58.200 -0.117 0.000 1.002 310 S CB -0.080 63.129 63.200 0.016 0.000 0.829 310 S HN 0.871 nan 8.310 nan 0.000 0.467 311 E N 1.678 121.914 120.200 0.061 0.000 2.085 311 E HA -0.160 4.191 4.350 0.002 0.000 0.194 311 E C 2.100 178.741 176.600 0.068 0.000 0.994 311 E CA 1.350 57.820 56.400 0.116 0.000 0.801 311 E CB -0.267 29.492 29.700 0.099 0.000 0.743 311 E HN 0.466 nan 8.360 nan 0.000 0.453 312 A N 0.269 123.122 122.820 0.055 0.000 1.968 312 A HA -0.112 4.209 4.320 0.002 0.000 0.217 312 A C 2.034 179.590 177.584 -0.047 0.000 1.169 312 A CA 0.986 53.097 52.037 0.124 0.000 0.638 312 A CB -0.798 18.391 19.000 0.316 0.000 0.812 312 A HN 0.409 nan 8.150 nan 0.000 0.446 313 F N -0.276 119.247 119.950 -0.712 0.000 2.134 313 F HA -0.119 4.409 4.527 0.002 0.000 0.299 313 F C 1.653 177.091 175.800 -0.603 0.000 1.097 313 F CA 1.484 58.754 58.000 -1.216 0.000 1.264 313 F CB -0.298 37.785 39.000 -1.528 0.000 1.001 313 F HN 0.198 nan 8.300 nan 0.000 0.479 314 F N 0.455 120.232 119.950 -0.287 0.000 2.502 314 F HA 0.135 4.663 4.527 0.002 0.000 0.298 314 F C 2.451 178.121 175.800 -0.217 0.000 1.111 314 F CA 0.565 58.400 58.000 -0.275 0.000 1.445 314 F CB -1.457 37.471 39.000 -0.121 0.000 1.081 314 F HN 0.081 nan 8.300 nan 0.000 0.558 315 A N -0.449 122.365 122.820 -0.009 0.000 2.066 315 A HA 0.197 4.518 4.320 0.002 0.000 0.218 315 A C 2.203 179.762 177.584 -0.042 0.000 1.157 315 A CA 1.331 53.371 52.037 0.004 0.000 0.670 315 A CB -0.766 18.257 19.000 0.039 0.000 0.804 315 A HN 0.214 nan 8.150 nan 0.000 0.453 316 A N -1.383 121.358 122.820 -0.132 0.000 2.348 316 A HA 0.464 4.785 4.320 0.002 0.000 0.224 316 A C 0.639 178.083 177.584 -0.233 0.000 1.227 316 A CA -0.166 51.806 52.037 -0.108 0.000 0.885 316 A CB 0.036 19.021 19.000 -0.025 0.000 0.933 316 A HN 0.370 nan 8.150 nan 0.000 0.506 317 L N 1.982 123.029 121.223 -0.294 0.000 2.260 317 L HA 0.393 4.734 4.340 0.002 0.000 0.289 317 L C -2.809 173.936 176.870 -0.208 0.000 1.057 317 L CA -1.759 52.930 54.840 -0.253 0.000 0.811 317 L CB 1.248 43.213 42.059 -0.157 0.000 1.184 317 L HN 0.016 nan 8.230 nan 0.000 0.429 318 P HA 0.125 nan 4.420 nan 0.000 0.271 318 P C 0.417 177.672 177.300 -0.076 0.000 1.226 318 P CA -0.167 62.786 63.100 -0.245 0.000 0.765 318 P CB 1.011 32.529 31.700 -0.303 0.000 0.835 319 A N 3.234 126.022 122.820 -0.053 0.000 2.084 319 A HA -0.198 4.123 4.320 0.002 0.000 0.221 319 A C 1.967 179.554 177.584 0.006 0.000 1.161 319 A CA 2.129 54.159 52.037 -0.011 0.000 0.653 319 A CB -1.252 17.736 19.000 -0.019 0.000 0.802 319 A HN 0.589 nan 8.150 nan 0.000 0.457 320 S N -0.468 115.230 115.700 -0.004 0.000 2.561 320 S HA 0.441 4.912 4.470 0.002 0.000 0.225 320 S C 0.970 175.592 174.600 0.036 0.000 0.977 320 S CA 0.300 58.508 58.200 0.015 0.000 0.926 320 S CB -0.664 62.544 63.200 0.013 0.000 0.769 320 S HN 0.965 nan 8.310 nan 0.000 0.533 321 A N 1.486 124.335 122.820 0.049 0.000 2.548 321 A HA 0.350 4.671 4.320 0.002 0.000 0.247 321 A C 0.988 178.614 177.584 0.071 0.000 1.067 321 A CA -0.086 52.001 52.037 0.084 0.000 0.757 321 A CB 0.155 19.229 19.000 0.123 0.000 0.996 321 A HN 0.514 nan 8.150 nan 0.000 0.504 322 K N 1.186 121.625 120.400 0.066 0.000 2.424 322 K HA 0.288 4.609 4.320 0.002 0.000 0.198 322 K C -0.602 176.015 176.600 0.029 0.000 1.190 322 K CA 0.425 56.736 56.287 0.039 0.000 0.935 322 K CB 0.908 33.430 32.500 0.037 0.000 1.087 322 K HN 0.517 nan 8.250 nan 0.000 0.524 323 V N 2.088 122.036 119.914 0.055 0.000 2.709 323 V HA 0.447 4.568 4.120 0.002 0.000 0.308 323 V C -1.214 174.933 176.094 0.089 0.000 1.062 323 V CA -1.060 61.271 62.300 0.051 0.000 0.901 323 V CB 1.895 33.752 31.823 0.057 0.000 1.003 323 V HN 0.142 nan 8.190 nan 0.000 0.425 324 I N 3.037 123.657 120.570 0.083 0.000 2.548 324 I HA 0.738 4.909 4.170 0.002 0.000 0.287 324 I C -0.338 175.870 176.117 0.153 0.000 1.103 324 I CA 0.085 61.473 61.300 0.147 0.000 1.049 324 I CB 2.341 40.469 38.000 0.214 0.000 1.232 324 I HN 0.725 nan 8.210 nan 0.000 0.429 325 T N 6.001 120.649 114.554 0.157 0.000 2.794 325 T HA 0.722 5.073 4.350 0.002 0.000 0.280 325 T C -0.738 174.067 174.700 0.176 0.000 0.987 325 T CA -0.486 61.712 62.100 0.164 0.000 0.993 325 T CB 1.198 70.184 68.868 0.197 0.000 0.939 325 T HN 0.480 nan 8.240 nan 0.000 0.449 326 V N 5.728 125.752 119.914 0.183 0.000 2.370 326 V HA 0.421 4.542 4.120 0.002 0.000 0.279 326 V C -0.331 175.825 176.094 0.104 0.000 1.029 326 V CA -0.905 61.516 62.300 0.202 0.000 0.870 326 V CB 0.876 32.872 31.823 0.289 0.000 0.984 326 V HN 0.756 nan 8.190 nan 0.000 0.451 327 L N 5.037 126.328 121.223 0.113 0.000 2.276 327 L HA 0.517 4.858 4.340 0.002 0.000 0.286 327 L C 0.134 177.169 176.870 0.275 0.000 1.061 327 L CA 0.323 55.221 54.840 0.098 0.000 0.807 327 L CB 0.982 42.977 42.059 -0.106 0.000 1.177 327 L HN 0.605 nan 8.230 nan 0.000 0.429 328 D N 2.973 123.517 120.400 0.241 0.000 2.505 328 D HA 0.261 4.902 4.640 0.002 0.000 0.249 328 D C -0.035 176.231 176.300 -0.057 0.000 1.082 328 D CA -0.479 53.637 54.000 0.194 0.000 0.839 328 D CB 2.069 42.922 40.800 0.088 0.000 1.317 328 D HN 0.336 nan 8.370 nan 0.000 0.497 329 R N 1.512 121.890 120.500 -0.204 0.000 3.782 329 R HA 0.192 4.533 4.340 0.002 0.000 0.291 329 R C -0.322 175.811 176.300 -0.279 0.000 1.539 329 R CA 0.089 55.778 56.100 -0.686 0.000 1.345 329 R CB 0.180 29.819 30.300 -1.101 0.000 1.408 329 R HN 0.307 nan 8.270 nan 0.000 0.654 330 T N -0.783 113.714 114.554 -0.095 0.000 2.739 330 T HA 0.360 4.711 4.350 0.002 0.000 0.303 330 T C -2.101 172.578 174.700 -0.035 0.000 1.389 330 T CA -0.796 61.305 62.100 0.002 0.000 1.001 330 T CB 1.405 70.399 68.868 0.210 0.000 1.436 330 T HN 0.139 nan 8.240 nan 0.000 0.500 331 K N 1.999 122.387 120.400 -0.021 0.000 2.637 331 K HA 0.439 4.760 4.320 0.002 0.000 0.248 331 K C -1.417 175.167 176.600 -0.027 0.000 0.971 331 K CA -0.294 55.973 56.287 -0.034 0.000 0.858 331 K CB 1.164 33.644 32.500 -0.032 0.000 1.170 331 K HN 0.535 nan 8.250 nan 0.000 0.443 332 E N 5.662 125.836 120.200 -0.042 0.000 2.173 332 E HA 0.249 4.600 4.350 0.002 0.000 0.249 332 E C -2.305 174.271 176.600 -0.040 0.000 0.923 332 E CA -2.046 54.330 56.400 -0.040 0.000 0.754 332 E CB 0.949 30.613 29.700 -0.059 0.000 1.177 332 E HN 0.465 nan 8.360 nan 0.000 0.430 333 P HA -0.073 nan 4.420 nan 0.000 0.260 333 P C 0.952 178.230 177.300 -0.035 0.000 1.172 333 P CA 0.864 63.945 63.100 -0.031 0.000 0.760 333 P CB 0.518 32.208 31.700 -0.018 0.000 0.773 334 G N 1.971 110.744 108.800 -0.046 0.000 2.245 334 G HA2 -0.259 3.702 3.960 0.002 0.000 0.264 334 G HA3 -0.259 3.702 3.960 0.002 0.000 0.264 334 G C 0.530 175.400 174.900 -0.050 0.000 0.985 334 G CA 0.119 45.191 45.100 -0.047 0.000 0.625 334 G HN 0.887 nan 8.290 nan 0.000 0.536 335 A N 1.021 123.811 122.820 -0.050 0.000 2.386 335 A HA 0.645 4.966 4.320 0.002 0.000 0.248 335 A C 0.240 177.795 177.584 -0.049 0.000 1.082 335 A CA -0.049 51.963 52.037 -0.042 0.000 0.789 335 A CB 0.424 19.400 19.000 -0.040 0.000 1.025 335 A HN 0.219 nan 8.150 nan 0.000 0.490 336 P HA 0.065 nan 4.420 nan 0.000 0.225 336 P C 0.585 177.905 177.300 0.034 0.000 1.148 336 P CA 1.592 64.682 63.100 -0.016 0.000 0.779 336 P CB 0.132 31.852 31.700 0.034 0.000 0.780 337 G N -0.797 108.057 108.800 0.091 0.000 2.519 337 G HA2 0.206 4.167 3.960 0.002 0.000 0.292 337 G HA3 0.206 4.167 3.960 0.002 0.000 0.292 337 G C -1.782 173.188 174.900 0.118 0.000 1.507 337 G CA -0.605 44.613 45.100 0.196 0.000 0.806 337 G HN -0.218 nan 8.290 nan 0.000 0.523 338 D N 0.948 121.388 120.400 0.067 0.000 2.361 338 D HA 0.220 4.861 4.640 0.002 0.000 0.239 338 D C -1.199 175.062 176.300 -0.066 0.000 1.200 338 D CA -1.065 52.909 54.000 -0.044 0.000 0.915 338 D CB 1.467 42.225 40.800 -0.070 0.000 1.170 338 D HN -0.010 nan 8.370 nan 0.000 0.444 339 P HA -0.197 nan 4.420 nan 0.000 0.217 339 P C 1.547 178.784 177.300 -0.106 0.000 1.162 339 P CA 0.896 63.779 63.100 -0.362 0.000 0.901 339 P CB 0.161 31.221 31.700 -1.066 0.000 0.793 340 L N -2.257 118.963 121.223 -0.005 0.000 2.109 340 L HA -0.130 4.211 4.340 0.002 0.000 0.207 340 L C 2.428 179.342 176.870 0.075 0.000 1.086 340 L CA 1.591 56.539 54.840 0.181 0.000 0.760 340 L CB -1.512 40.730 42.059 0.305 0.000 0.910 340 L HN -0.087 nan 8.230 nan 0.000 0.437 341 Y N -0.683 119.602 120.300 -0.025 0.000 2.097 341 Y HA -0.266 4.285 4.550 0.002 0.000 0.282 341 Y C 2.231 178.088 175.900 -0.071 0.000 1.152 341 Y CA 1.838 59.920 58.100 -0.031 0.000 1.136 341 Y CB -0.479 37.964 38.460 -0.029 0.000 0.975 341 Y HN 0.158 nan 8.280 nan 0.000 0.498 342 L N 0.790 121.888 121.223 -0.207 0.000 2.042 342 L HA -0.238 4.103 4.340 0.002 0.000 0.210 342 L C 1.997 178.655 176.870 -0.354 0.000 1.076 342 L CA 2.002 56.667 54.840 -0.292 0.000 0.749 342 L CB -1.191 40.788 42.059 -0.133 0.000 0.893 342 L HN 0.274 nan 8.230 nan 0.000 0.432 343 D N -1.371 118.781 120.400 -0.414 0.000 2.144 343 D HA -0.109 4.532 4.640 0.002 0.000 0.200 343 D C 2.391 178.234 176.300 -0.761 0.000 0.978 343 D CA 0.930 54.496 54.000 -0.723 0.000 0.833 343 D CB -0.089 40.029 40.800 -1.136 0.000 0.961 343 D HN 0.142 nan 8.370 nan 0.000 0.470 344 V N 0.417 120.001 119.914 -0.551 0.000 2.379 344 V HA -0.214 3.907 4.120 0.002 0.000 0.245 344 V C 2.596 178.578 176.094 -0.187 0.000 1.044 344 V CA 1.092 63.119 62.300 -0.455 0.000 1.036 344 V CB -0.360 31.333 31.823 -0.218 0.000 0.664 344 V HN 0.282 nan 8.190 nan 0.000 0.453 345 C N -0.784 118.373 119.300 -0.239 0.000 2.411 345 C HA -0.148 4.313 4.460 0.002 0.000 0.279 345 C C 3.205 178.166 174.990 -0.048 0.000 1.288 345 C CA 1.489 60.428 59.018 -0.132 0.000 1.764 345 C CB -1.050 26.467 27.740 -0.371 0.000 1.974 345 C HN 0.593 nan 8.230 nan 0.000 0.498 346 S N 0.293 115.898 115.700 -0.159 0.000 2.356 346 S HA -0.119 4.352 4.470 0.002 0.000 0.223 346 S C 2.124 176.695 174.600 -0.049 0.000 1.032 346 S CA 1.475 59.605 58.200 -0.118 0.000 1.005 346 S CB -0.297 62.780 63.200 -0.204 0.000 0.867 346 S HN 0.661 nan 8.310 nan 0.000 0.449 347 A N 0.163 122.908 122.820 -0.124 0.000 1.902 347 A HA 0.014 4.335 4.320 0.002 0.000 0.217 347 A C 1.840 179.530 177.584 0.177 0.000 1.181 347 A CA 1.358 53.349 52.037 -0.078 0.000 0.623 347 A CB -0.869 17.825 19.000 -0.509 0.000 0.818 347 A HN 0.555 nan 8.150 nan 0.000 0.443 348 F N -0.202 119.904 119.950 0.261 0.000 2.186 348 F HA -0.130 4.398 4.527 0.002 0.000 0.299 348 F C 2.556 178.432 175.800 0.127 0.000 1.090 348 F CA 1.643 59.814 58.000 0.286 0.000 1.307 348 F CB -0.454 38.665 39.000 0.198 0.000 1.019 348 F HN 0.182 nan 8.300 nan 0.000 0.489 349 V N -1.193 118.857 119.914 0.227 0.000 2.548 349 V HA -0.173 3.948 4.120 0.002 0.000 0.249 349 V C 2.027 178.178 176.094 0.096 0.000 1.055 349 V CA 1.974 64.351 62.300 0.129 0.000 1.065 349 V CB -0.699 31.168 31.823 0.073 0.000 0.681 349 V HN 0.319 nan 8.190 nan 0.000 0.462 350 E N 0.815 121.072 120.200 0.095 0.000 2.085 350 E HA -0.244 4.107 4.350 0.002 0.000 0.194 350 E C 2.458 179.104 176.600 0.076 0.000 0.994 350 E CA 1.690 58.137 56.400 0.078 0.000 0.801 350 E CB -0.423 29.331 29.700 0.090 0.000 0.743 350 E HN 0.544 nan 8.360 nan 0.000 0.453 351 R N -0.477 120.081 120.500 0.096 0.000 2.103 351 R HA -0.146 4.195 4.340 0.002 0.000 0.242 351 R C 1.384 177.682 176.300 -0.003 0.000 1.142 351 R CA 1.446 57.544 56.100 -0.003 0.000 0.960 351 R CB -0.586 29.620 30.300 -0.156 0.000 0.858 351 R HN 0.463 nan 8.270 nan 0.000 0.439 352 G N 0.216 109.037 108.800 0.035 0.000 2.153 352 G HA2 -0.303 3.658 3.960 0.002 0.000 0.252 352 G HA3 -0.303 3.658 3.960 0.002 0.000 0.252 352 G C 0.110 175.018 174.900 0.013 0.000 0.994 352 G CA 1.037 46.153 45.100 0.026 0.000 0.698 352 G HN 0.494 nan 8.290 nan 0.000 0.521 353 E N -0.310 119.895 120.200 0.009 0.000 3.491 353 E HA 0.724 5.075 4.350 0.002 0.000 0.337 353 E C 1.141 177.760 176.600 0.033 0.000 0.545 353 E CA -0.327 56.073 56.400 -0.000 0.000 2.130 353 E CB 0.389 30.061 29.700 -0.047 0.000 2.087 353 E HN 0.618 nan 8.360 nan 0.000 0.434 354 A N 1.053 123.895 122.820 0.036 0.000 2.371 354 A HA 0.361 4.682 4.320 0.002 0.000 0.257 354 A C -0.425 177.199 177.584 0.066 0.000 1.089 354 A CA -0.049 52.013 52.037 0.042 0.000 0.794 354 A CB 0.238 19.255 19.000 0.029 0.000 1.029 354 A HN 0.309 nan 8.150 nan 0.000 0.488 355 M N 2.864 122.470 119.600 0.010 0.000 2.066 355 M HA 0.269 4.750 4.480 0.002 0.000 0.340 355 M C -1.989 174.236 176.300 -0.124 0.000 1.053 355 M CA -1.891 53.369 55.300 -0.067 0.000 0.983 355 M CB 0.716 33.293 32.600 -0.038 0.000 1.520 355 M HN 0.379 nan 8.290 nan 0.000 0.428 356 P HA 0.015 nan 4.420 nan 0.000 0.247 356 P C -0.509 176.703 177.300 -0.146 0.000 1.225 356 P CA 0.258 63.246 63.100 -0.187 0.000 0.768 356 P CB 0.153 31.690 31.700 -0.272 0.000 1.020 357 K N 0.218 120.535 120.400 -0.139 0.000 6.281 357 K HA -0.154 4.167 4.320 0.002 0.000 0.629 357 K C -1.129 175.438 176.600 -0.054 0.000 1.517 357 K CA 0.353 56.600 56.287 -0.066 0.000 1.607 357 K CB -2.039 30.447 32.500 -0.023 0.000 1.837 357 K HN 0.040 nan 8.250 nan 0.000 0.354 358 I N 5.107 125.655 120.570 -0.035 0.000 2.331 358 I HA 0.358 4.529 4.170 0.002 0.000 0.292 358 I C -0.084 176.114 176.117 0.135 0.000 0.998 358 I CA -0.787 60.545 61.300 0.055 0.000 1.267 358 I CB 1.025 39.053 38.000 0.047 0.000 1.386 358 I HN 0.327 nan 8.210 nan 0.000 0.476 359 L N 5.968 127.262 121.223 0.118 0.000 2.329 359 L HA 0.773 5.114 4.340 0.002 0.000 0.279 359 L C 0.107 176.930 176.870 -0.078 0.000 1.014 359 L CA -0.605 54.251 54.840 0.027 0.000 0.814 359 L CB 1.502 43.631 42.059 0.117 0.000 1.257 359 L HN 0.706 nan 8.230 nan 0.000 0.424 360 A N 1.907 124.430 122.820 -0.495 0.000 2.312 360 A HA 0.921 5.242 4.320 0.002 0.000 0.328 360 A C -0.010 177.152 177.584 -0.704 0.000 1.158 360 A CA 0.059 51.684 52.037 -0.686 0.000 0.821 360 A CB 1.128 19.328 19.000 -1.333 0.000 1.170 360 A HN 0.788 nan 8.150 nan 0.000 0.490 361 G N 0.341 108.678 108.800 -0.771 0.000 2.746 361 G HA2 0.561 4.522 3.960 0.002 0.000 0.297 361 G HA3 0.561 4.522 3.960 0.002 0.000 0.297 361 G C -1.134 173.401 174.900 -0.610 0.000 1.426 361 G CA -0.709 43.510 45.100 -1.469 0.000 0.989 361 G HN 0.889 nan 8.290 nan 0.000 0.520 362 R N 0.422 120.660 120.500 -0.435 0.000 2.599 362 R HA 0.765 5.106 4.340 0.002 0.000 0.295 362 R C -1.024 175.305 176.300 0.048 0.000 0.963 362 R CA -0.809 55.220 56.100 -0.118 0.000 0.883 362 R CB 1.422 31.646 30.300 -0.126 0.000 1.171 362 R HN 0.763 nan 8.270 nan 0.000 0.450 363 Y N 0.336 120.528 120.300 -0.181 0.000 2.818 363 Y HA 0.585 5.136 4.550 0.002 0.000 0.322 363 Y C 0.645 176.451 175.900 -0.157 0.000 1.323 363 Y CA -1.283 56.722 58.100 -0.157 0.000 1.090 363 Y CB 0.283 38.492 38.460 -0.420 0.000 1.328 363 Y HN 0.716 nan 8.280 nan 0.000 0.482 364 G N 1.157 109.889 108.800 -0.113 0.000 2.473 364 G HA2 -0.264 3.697 3.960 0.002 0.000 0.307 364 G HA3 -0.264 3.697 3.960 0.002 0.000 0.307 364 G C -0.570 174.197 174.900 -0.223 0.000 0.937 364 G CA 0.519 45.523 45.100 -0.160 0.000 0.947 364 G HN 0.521 nan 8.290 nan 0.000 0.513 365 L N 0.037 121.159 121.223 -0.169 0.000 2.453 365 L HA 0.505 4.846 4.340 0.002 0.000 0.272 365 L C 1.641 178.488 176.870 -0.039 0.000 1.182 365 L CA 1.133 55.903 54.840 -0.117 0.000 0.858 365 L CB 0.602 42.617 42.059 -0.074 0.000 1.120 365 L HN 1.040 nan 8.230 nan 0.000 0.474 366 G N 2.853 111.658 108.800 0.008 0.000 2.372 366 G HA2 -0.284 3.677 3.960 0.002 0.000 0.297 366 G HA3 -0.284 3.677 3.960 0.002 0.000 0.297 366 G C 0.800 175.755 174.900 0.092 0.000 1.005 366 G CA 0.520 45.683 45.100 0.104 0.000 1.173 366 G HN 0.836 nan 8.290 nan 0.000 0.511 367 S N -2.300 113.458 115.700 0.096 0.000 3.358 367 S HA -0.251 4.220 4.470 0.002 0.000 0.309 367 S C 1.195 175.782 174.600 -0.020 0.000 1.247 367 S CA 1.948 60.185 58.200 0.062 0.000 0.961 367 S CB -0.572 62.678 63.200 0.083 0.000 1.074 367 S HN 1.480 nan 8.310 nan 0.000 0.625 368 K N 2.687 123.077 120.400 -0.017 0.000 2.484 368 K HA 0.072 4.393 4.320 0.002 0.000 0.280 368 K C 0.268 176.909 176.600 0.068 0.000 1.013 368 K CA 0.359 56.647 56.287 0.002 0.000 1.029 368 K CB 0.385 32.897 32.500 0.020 0.000 0.902 368 K HN 0.152 nan 8.250 nan 0.000 0.481 369 E N 2.554 122.786 120.200 0.054 0.000 2.534 369 E HA -0.103 4.248 4.350 0.002 0.000 0.264 369 E C -0.729 176.006 176.600 0.225 0.000 0.981 369 E CA 0.659 57.117 56.400 0.096 0.000 0.948 369 E CB 0.152 29.877 29.700 0.042 0.000 0.934 369 E HN 0.452 nan 8.360 nan 0.000 0.459 370 F N 2.547 122.524 119.950 0.045 0.000 2.824 370 F HA 0.134 4.662 4.527 0.002 0.000 0.375 370 F C -0.160 175.604 175.800 -0.061 0.000 1.190 370 F CA -0.557 57.465 58.000 0.037 0.000 1.180 370 F CB 0.366 39.446 39.000 0.132 0.000 1.477 370 F HN 0.233 nan 8.300 nan 0.000 0.542 371 S N 4.002 119.471 115.700 -0.385 0.000 2.713 371 S HA 0.582 5.053 4.470 0.002 0.000 0.283 371 S C -2.167 172.021 174.600 -0.688 0.000 1.161 371 S CA -1.352 56.509 58.200 -0.564 0.000 0.999 371 S CB 1.847 64.835 63.200 -0.353 0.000 1.039 371 S HN 0.290 nan 8.310 nan 0.000 0.548 372 P HA -0.101 nan 4.420 nan 0.000 0.216 372 P C 1.602 178.637 177.300 -0.442 0.000 1.153 372 P CA 2.174 65.034 63.100 -0.400 0.000 0.858 372 P CB -0.254 31.345 31.700 -0.169 0.000 0.789 373 A N -1.128 121.480 122.820 -0.353 0.000 1.940 373 A HA -0.219 4.102 4.320 0.002 0.000 0.219 373 A C 2.119 179.430 177.584 -0.454 0.000 1.176 373 A CA 1.975 53.752 52.037 -0.432 0.000 0.631 373 A CB -1.398 17.498 19.000 -0.174 0.000 0.814 373 A HN 0.146 nan 8.150 nan 0.000 0.446 374 M N -0.869 118.470 119.600 -0.435 0.000 2.319 374 M HA -0.071 4.410 4.480 0.002 0.000 0.265 374 M C 1.971 177.973 176.300 -0.497 0.000 1.068 374 M CA 0.901 55.956 55.300 -0.408 0.000 1.118 374 M CB -0.254 32.099 32.600 -0.412 0.000 1.395 374 M HN 0.242 nan 8.290 nan 0.000 0.435 375 V N 0.633 120.159 119.914 -0.646 0.000 2.358 375 V HA -0.234 3.887 4.120 0.002 0.000 0.246 375 V C 2.347 178.317 176.094 -0.206 0.000 1.047 375 V CA 1.893 63.926 62.300 -0.443 0.000 1.035 375 V CB -0.696 30.921 31.823 -0.344 0.000 0.658 375 V HN 0.403 nan 8.190 nan 0.000 0.452 376 K N 0.855 121.043 120.400 -0.354 0.000 2.097 376 K HA -0.163 4.158 4.320 0.002 0.000 0.206 376 K C 2.354 178.829 176.600 -0.208 0.000 1.049 376 K CA 1.903 57.995 56.287 -0.326 0.000 0.933 376 K CB -0.650 31.265 32.500 -0.975 0.000 0.717 376 K HN 0.360 nan 8.250 nan 0.000 0.442 377 S N -0.627 114.907 115.700 -0.276 0.000 2.402 377 S HA -0.068 4.403 4.470 0.002 0.000 0.229 377 S C 1.774 176.245 174.600 -0.215 0.000 1.021 377 S CA 1.198 59.268 58.200 -0.217 0.000 0.974 377 S CB -0.267 62.807 63.200 -0.210 0.000 0.800 377 S HN 0.180 nan 8.310 nan 0.000 0.484 378 V N 0.612 120.401 119.914 -0.208 0.000 2.453 378 V HA -0.078 4.043 4.120 0.002 0.000 0.247 378 V C 2.031 177.985 176.094 -0.233 0.000 1.048 378 V CA 1.636 63.791 62.300 -0.242 0.000 1.049 378 V CB -0.883 30.860 31.823 -0.133 0.000 0.672 378 V HN 0.545 nan 8.190 nan 0.000 0.457 379 Y N 0.528 120.776 120.300 -0.086 0.000 2.220 379 Y HA -0.135 4.416 4.550 0.002 0.000 0.291 379 Y C 2.449 178.307 175.900 -0.070 0.000 1.129 379 Y CA 1.356 59.425 58.100 -0.051 0.000 1.161 379 Y CB -0.516 37.922 38.460 -0.037 0.000 0.997 379 Y HN 0.286 nan 8.280 nan 0.000 0.522 380 D N -0.349 120.080 120.400 0.049 0.000 2.149 380 D HA -0.194 4.447 4.640 0.002 0.000 0.198 380 D C 1.846 178.118 176.300 -0.047 0.000 0.990 380 D CA 1.346 55.341 54.000 -0.008 0.000 0.839 380 D CB -0.526 40.242 40.800 -0.053 0.000 0.948 380 D HN 0.315 nan 8.370 nan 0.000 0.460 381 N N -0.145 118.487 118.700 -0.115 0.000 2.166 381 N HA -0.096 4.645 4.740 0.002 0.000 0.186 381 N C 1.733 177.192 175.510 -0.085 0.000 1.019 381 N CA 0.897 53.851 53.050 -0.160 0.000 0.856 381 N CB -0.068 38.208 38.487 -0.352 0.000 0.993 381 N HN 0.076 nan 8.380 nan 0.000 0.426 382 M N -0.566 119.011 119.600 -0.039 0.000 2.229 382 M HA -0.075 4.406 4.480 0.002 0.000 0.264 382 M C 1.605 177.923 176.300 0.030 0.000 1.063 382 M CA 1.310 56.620 55.300 0.017 0.000 1.114 382 M CB -0.144 32.499 32.600 0.073 0.000 1.387 382 M HN 0.348 nan 8.290 nan 0.000 0.420 383 S N -1.277 114.441 115.700 0.030 0.000 2.556 383 S HA 0.242 4.713 4.470 0.002 0.000 0.216 383 S C 0.947 175.550 174.600 0.005 0.000 0.970 383 S CA 0.010 58.225 58.200 0.026 0.000 0.912 383 S CB 0.224 63.446 63.200 0.037 0.000 0.790 383 S HN 0.397 nan 8.310 nan 0.000 0.504 384 G N 1.070 109.863 108.800 -0.012 0.000 3.267 384 G HA2 0.576 4.537 3.960 0.002 0.000 0.200 384 G HA3 0.576 4.537 3.960 0.002 0.000 0.200 384 G C 1.260 176.146 174.900 -0.024 0.000 1.603 384 G CA -0.006 45.082 45.100 -0.020 0.000 0.753 384 G HN 0.455 nan 8.290 nan 0.000 0.755 385 A N -0.275 122.522 122.820 -0.037 0.000 1.986 385 A HA 0.008 4.329 4.320 0.002 0.000 0.220 385 A C 1.450 179.016 177.584 -0.030 0.000 1.171 385 A CA 2.221 54.237 52.037 -0.034 0.000 0.640 385 A CB -0.728 18.243 19.000 -0.048 0.000 0.811 385 A HN 0.643 nan 8.150 nan 0.000 0.451 386 K N -1.223 119.152 120.400 -0.043 0.000 3.077 386 K HA -0.190 4.131 4.320 0.002 0.000 0.264 386 K C -0.047 176.545 176.600 -0.013 0.000 1.008 386 K CA 1.022 57.293 56.287 -0.027 0.000 0.740 386 K CB -1.374 31.123 32.500 -0.004 0.000 1.273 386 K HN 0.718 nan 8.250 nan 0.000 0.477 387 K N 1.504 121.882 120.400 -0.037 0.000 2.451 387 K HA 0.022 4.343 4.320 0.002 0.000 0.280 387 K C 0.144 176.804 176.600 0.101 0.000 1.020 387 K CA 0.006 56.300 56.287 0.011 0.000 1.008 387 K CB 0.452 32.938 32.500 -0.024 0.000 0.917 387 K HN 0.087 nan 8.250 nan 0.000 0.478 388 N N 1.662 120.420 118.700 0.095 0.000 2.472 388 N HA 0.146 4.887 4.740 0.002 0.000 0.289 388 N C -1.090 174.445 175.510 0.041 0.000 1.156 388 N CA -0.141 52.919 53.050 0.017 0.000 0.940 388 N CB 0.489 38.923 38.487 -0.089 0.000 1.200 388 N HN 0.683 nan 8.380 nan 0.000 0.511 389 H N -0.728 118.303 119.070 -0.064 0.000 2.655 389 H HA -0.218 4.339 4.556 0.002 0.000 0.313 389 H C -0.429 174.860 175.328 -0.064 0.000 1.141 389 H CA 1.083 57.032 56.048 -0.166 0.000 1.138 389 H CB -1.928 27.750 29.762 -0.140 0.000 1.446 389 H HN 0.393 nan 8.280 nan 0.000 0.415 390 F N -0.857 119.085 119.950 -0.014 0.000 2.362 390 F HA 0.644 5.172 4.527 0.002 0.000 0.311 390 F C 0.665 176.477 175.800 0.020 0.000 1.161 390 F CA -0.350 57.654 58.000 0.006 0.000 1.085 390 F CB 0.908 39.904 39.000 -0.008 0.000 1.311 390 F HN 0.050 nan 8.300 nan 0.000 0.524 391 T N -0.669 114.064 114.554 0.299 0.000 2.893 391 T HA 0.730 5.081 4.350 0.002 0.000 0.291 391 T C -1.147 173.763 174.700 0.349 0.000 1.028 391 T CA -0.811 61.404 62.100 0.192 0.000 0.995 391 T CB 1.353 70.283 68.868 0.104 0.000 1.051 391 T HN 0.808 nan 8.240 nan 0.000 0.470 392 V N 0.397 120.506 119.914 0.325 0.000 2.577 392 V HA 0.874 4.995 4.120 0.002 0.000 0.303 392 V C 0.995 177.238 176.094 0.247 0.000 1.042 392 V CA -0.174 62.311 62.300 0.310 0.000 0.872 392 V CB 0.563 32.644 31.823 0.429 0.000 0.998 392 V HN 1.524 nan 8.190 nan 0.000 0.423 393 G N 3.883 112.777 108.800 0.157 0.000 2.421 393 G HA2 -0.096 3.865 3.960 0.002 0.000 0.188 393 G HA3 -0.096 3.865 3.960 0.002 0.000 0.188 393 G C -0.165 174.785 174.900 0.083 0.000 1.001 393 G CA 0.102 45.279 45.100 0.128 0.000 0.693 393 G HN 1.170 nan 8.290 nan 0.000 0.479 394 I N -2.528 118.091 120.570 0.081 0.000 3.239 394 I HA 0.856 5.027 4.170 0.002 0.000 0.314 394 I C -0.612 175.543 176.117 0.063 0.000 1.126 394 I CA -1.409 59.931 61.300 0.066 0.000 0.973 394 I CB 2.221 40.257 38.000 0.061 0.000 1.252 394 I HN -0.054 nan 8.210 nan 0.000 0.463 395 E N 2.157 122.394 120.200 0.062 0.000 2.173 395 E HA 0.135 4.486 4.350 0.002 0.000 0.249 395 E C -1.361 175.272 176.600 0.055 0.000 0.923 395 E CA -0.469 55.961 56.400 0.050 0.000 0.754 395 E CB 0.682 30.406 29.700 0.040 0.000 1.177 395 E HN 0.584 nan 8.360 nan 0.000 0.430 396 D N 3.854 124.285 120.400 0.052 0.000 2.435 396 D HA -0.021 4.620 4.640 0.002 0.000 0.230 396 D C 0.310 176.632 176.300 0.037 0.000 1.215 396 D CA -0.246 53.783 54.000 0.048 0.000 0.947 396 D CB 0.646 41.475 40.800 0.049 0.000 1.048 396 D HN 0.431 nan 8.370 nan 0.000 0.512 397 D N 1.848 122.268 120.400 0.033 0.000 2.349 397 D HA -0.108 4.533 4.640 0.002 0.000 0.214 397 D C 1.652 177.962 176.300 0.017 0.000 1.063 397 D CA 0.077 54.089 54.000 0.020 0.000 0.847 397 D CB -0.113 40.694 40.800 0.012 0.000 0.933 397 D HN 0.294 nan 8.370 nan 0.000 0.513 398 V N -0.235 119.692 119.914 0.022 0.000 2.575 398 V HA 0.094 4.215 4.120 0.002 0.000 0.242 398 V C 1.696 177.798 176.094 0.015 0.000 1.045 398 V CA 1.797 64.107 62.300 0.017 0.000 1.065 398 V CB -0.442 31.393 31.823 0.019 0.000 0.717 398 V HN 0.261 nan 8.190 nan 0.000 0.467 399 T N -2.899 111.665 114.554 0.018 0.000 3.084 399 T HA 0.426 4.776 4.350 0.002 0.000 0.270 399 T C 1.486 176.199 174.700 0.022 0.000 1.008 399 T CA 0.494 62.604 62.100 0.016 0.000 0.900 399 T CB 0.054 68.929 68.868 0.011 0.000 1.084 399 T HN 1.624 nan 8.240 nan 0.000 0.538 400 G N 2.492 111.308 108.800 0.026 0.000 2.356 400 G HA2 -0.320 3.641 3.960 0.002 0.000 0.296 400 G HA3 -0.320 3.641 3.960 0.002 0.000 0.296 400 G C 0.825 175.751 174.900 0.044 0.000 1.022 400 G CA 0.847 45.965 45.100 0.030 0.000 0.961 400 G HN 0.870 nan 8.290 nan 0.000 0.510 401 T N -2.320 112.267 114.554 0.055 0.000 3.067 401 T HA 0.328 4.679 4.350 0.002 0.000 0.261 401 T C 1.696 176.470 174.700 0.123 0.000 1.110 401 T CA 0.974 63.125 62.100 0.084 0.000 1.113 401 T CB 0.032 68.946 68.868 0.077 0.000 0.917 401 T HN 1.573 nan 8.240 nan 0.000 0.499 402 S N 1.596 117.354 115.700 0.097 0.000 2.572 402 S HA 0.466 4.937 4.470 0.002 0.000 0.279 402 S C -0.179 174.458 174.600 0.060 0.000 1.341 402 S CA -0.929 57.333 58.200 0.104 0.000 1.043 402 S CB 0.282 63.528 63.200 0.077 0.000 0.887 402 S HN 0.161 nan 8.310 nan 0.000 0.516 403 L N 3.148 124.399 121.223 0.046 0.000 2.379 403 L HA 0.573 4.914 4.340 0.002 0.000 0.269 403 L C -1.862 174.982 176.870 -0.043 0.000 1.084 403 L CA -2.022 52.781 54.840 -0.061 0.000 0.802 403 L CB 0.400 42.349 42.059 -0.184 0.000 1.175 403 L HN 0.624 nan 8.230 nan 0.000 0.448 404 P HA 0.265 nan 4.420 nan 0.000 0.278 404 P C -1.260 175.998 177.300 -0.070 0.000 1.238 404 P CA -0.271 62.798 63.100 -0.051 0.000 0.794 404 P CB 1.389 33.059 31.700 -0.050 0.000 0.955 405 V N 2.548 122.428 119.914 -0.057 0.000 2.577 405 V HA 0.223 4.344 4.120 0.002 0.000 0.303 405 V C -0.416 175.643 176.094 -0.058 0.000 1.042 405 V CA -0.395 61.858 62.300 -0.079 0.000 0.872 405 V CB 1.881 33.663 31.823 -0.069 0.000 0.998 405 V HN 0.554 nan 8.190 nan 0.000 0.423 406 D N 3.474 123.833 120.400 -0.067 0.000 2.392 406 D HA 0.262 4.903 4.640 0.002 0.000 0.228 406 D C 0.679 176.977 176.300 -0.003 0.000 1.074 406 D CA -0.282 53.703 54.000 -0.025 0.000 0.838 406 D CB 0.967 41.762 40.800 -0.009 0.000 1.067 406 D HN 0.405 nan 8.370 nan 0.000 0.511 407 N N 2.681 121.387 118.700 0.010 0.000 2.521 407 N HA -0.011 4.730 4.740 0.002 0.000 0.188 407 N C 0.799 176.347 175.510 0.064 0.000 1.146 407 N CA 0.170 53.238 53.050 0.030 0.000 0.893 407 N CB 0.507 39.003 38.487 0.015 0.000 0.975 407 N HN 0.477 nan 8.380 nan 0.000 0.451 408 A N 0.240 123.103 122.820 0.072 0.000 2.307 408 A HA 0.082 4.403 4.320 0.002 0.000 0.218 408 A C 0.397 178.042 177.584 0.102 0.000 1.228 408 A CA -0.545 51.532 52.037 0.067 0.000 0.857 408 A CB -0.468 18.559 19.000 0.045 0.000 0.897 408 A HN 0.183 nan 8.150 nan 0.000 0.495 409 F N 1.688 121.613 119.950 -0.042 0.000 2.578 409 F HA 0.391 4.919 4.527 0.002 0.000 0.376 409 F C 0.821 176.580 175.800 -0.069 0.000 1.085 409 F CA -0.773 57.194 58.000 -0.055 0.000 1.260 409 F CB 0.292 39.240 39.000 -0.086 0.000 1.095 409 F HN 0.277 nan 8.300 nan 0.000 0.573 410 A N 4.737 127.224 122.820 -0.554 0.000 2.466 410 A HA 0.079 4.400 4.320 0.002 0.000 0.238 410 A C -0.105 177.127 177.584 -0.588 0.000 1.074 410 A CA -0.312 51.438 52.037 -0.478 0.000 0.774 410 A CB -0.177 18.610 19.000 -0.356 0.000 1.015 410 A HN 0.833 nan 8.150 nan 0.000 0.498 411 D N 0.205 120.434 120.400 -0.286 0.000 2.533 411 D HA 0.156 4.797 4.640 0.002 0.000 0.236 411 D C 1.376 177.498 176.300 -0.297 0.000 1.137 411 D CA 1.583 55.473 54.000 -0.185 0.000 0.867 411 D CB 0.588 41.353 40.800 -0.059 0.000 1.170 411 D HN 0.543 nan 8.370 nan 0.000 0.474 412 T N -1.152 113.271 114.554 -0.217 0.000 3.044 412 T HA 0.101 4.452 4.350 0.002 0.000 0.260 412 T C 0.861 175.558 174.700 -0.006 0.000 1.019 412 T CA -0.118 61.851 62.100 -0.218 0.000 0.921 412 T CB -0.322 68.423 68.868 -0.205 0.000 1.053 412 T HN 0.438 nan 8.240 nan 0.000 0.533 413 T N 1.544 116.124 114.554 0.044 0.000 2.932 413 T HA 0.350 4.701 4.350 0.002 0.000 0.312 413 T C -2.551 172.170 174.700 0.035 0.000 1.071 413 T CA -1.188 60.945 62.100 0.055 0.000 1.128 413 T CB -0.111 68.781 68.868 0.041 0.000 0.984 413 T HN -0.014 nan 8.240 nan 0.000 0.549 414 P HA 0.078 nan 4.420 nan 0.000 0.267 414 P C -0.086 177.235 177.300 0.035 0.000 1.195 414 P CA -0.250 62.863 63.100 0.022 0.000 0.773 414 P CB 0.374 32.069 31.700 -0.009 0.000 0.837 415 K N 1.942 122.365 120.400 0.039 0.000 2.447 415 K HA 0.256 4.577 4.320 0.002 0.000 0.281 415 K C 0.561 177.195 176.600 0.056 0.000 1.031 415 K CA 0.790 57.105 56.287 0.046 0.000 1.019 415 K CB -0.604 31.921 32.500 0.042 0.000 0.918 415 K HN 0.794 nan 8.250 nan 0.000 0.476 416 G N 2.901 111.739 108.800 0.063 0.000 2.401 416 G HA2 -0.184 3.777 3.960 0.002 0.000 0.283 416 G HA3 -0.184 3.777 3.960 0.002 0.000 0.283 416 G C -0.401 174.556 174.900 0.096 0.000 1.117 416 G CA -0.046 45.101 45.100 0.078 0.000 1.051 416 G HN 0.581 nan 8.290 nan 0.000 0.510 417 T N 0.532 115.142 114.554 0.092 0.000 2.841 417 T HA 0.592 4.943 4.350 0.002 0.000 0.285 417 T C 0.295 175.069 174.700 0.123 0.000 0.991 417 T CA -0.426 61.738 62.100 0.107 0.000 0.966 417 T CB 1.423 70.330 68.868 0.065 0.000 0.962 417 T HN 0.369 nan 8.240 nan 0.000 0.438 418 I N 3.433 124.111 120.570 0.180 0.000 2.342 418 I HA 0.272 4.443 4.170 0.002 0.000 0.291 418 I C 0.401 176.643 176.117 0.208 0.000 1.010 418 I CA -0.051 61.371 61.300 0.205 0.000 1.308 418 I CB 1.025 39.174 38.000 0.248 0.000 1.400 418 I HN 0.457 nan 8.210 nan 0.000 0.488 419 Q N 5.710 125.611 119.800 0.168 0.000 2.341 419 Q HA 0.566 4.907 4.340 0.002 0.000 0.268 419 Q C -1.457 174.646 176.000 0.170 0.000 1.013 419 Q CA -0.658 55.225 55.803 0.133 0.000 0.798 419 Q CB 1.964 30.752 28.738 0.083 0.000 1.253 419 Q HN 0.651 nan 8.270 nan 0.000 0.457 420 C N 1.936 121.348 119.300 0.186 0.000 2.561 420 C HA 0.585 5.046 4.460 0.002 0.000 0.319 420 C C -0.326 174.667 174.990 0.005 0.000 1.198 420 C CA -0.905 58.206 59.018 0.154 0.000 1.665 420 C CB 1.385 29.273 27.740 0.247 0.000 2.258 420 C HN 0.773 nan 8.230 nan 0.000 0.493 421 Q N 0.652 120.352 119.800 -0.167 0.000 2.356 421 Q HA 0.713 5.054 4.340 0.002 0.000 0.270 421 Q C -1.697 174.109 176.000 -0.324 0.000 1.058 421 Q CA -0.220 55.462 55.803 -0.202 0.000 0.802 421 Q CB 2.228 30.916 28.738 -0.083 0.000 1.303 421 Q HN 0.667 nan 8.270 nan 0.000 0.444 422 F N 0.634 120.528 119.950 -0.093 0.000 2.547 422 F HA 0.463 4.991 4.527 0.002 0.000 0.316 422 F C -1.090 174.606 175.800 -0.172 0.000 1.121 422 F CA -0.703 57.242 58.000 -0.092 0.000 0.911 422 F CB 1.241 40.153 39.000 -0.147 0.000 1.179 422 F HN 0.436 nan 8.300 nan 0.000 0.443 423 W N 2.142 123.416 121.300 -0.043 0.000 2.361 423 W HA 0.681 5.342 4.660 0.001 0.000 0.314 423 W C 0.210 176.815 176.519 0.143 0.000 1.041 423 W CA -0.875 56.511 57.345 0.069 0.000 1.241 423 W CB 1.791 31.365 29.460 0.190 0.000 1.279 423 W HN 0.660 nan 8.180 nan 0.000 0.436 424 G N 2.299 111.307 108.800 0.347 0.000 2.630 424 G HA2 0.658 4.619 3.960 0.002 0.000 0.296 424 G HA3 0.658 4.619 3.960 0.002 0.000 0.296 424 G C -2.029 173.128 174.900 0.427 0.000 1.285 424 G CA -1.017 44.292 45.100 0.348 0.000 0.958 424 G HN 0.350 nan 8.290 nan 0.000 0.479 425 L N 0.699 122.099 121.223 0.295 0.000 2.343 425 L HA 0.757 5.098 4.340 0.002 0.000 0.275 425 L C 0.921 177.908 176.870 0.195 0.000 1.056 425 L CA -0.398 54.604 54.840 0.270 0.000 0.804 425 L CB 1.233 43.373 42.059 0.136 0.000 1.203 425 L HN 0.701 nan 8.230 nan 0.000 0.440 426 G N 3.334 112.245 108.800 0.185 0.000 2.353 426 G HA2 0.424 4.385 3.960 0.002 0.000 0.239 426 G HA3 0.424 4.385 3.960 0.002 0.000 0.239 426 G C 0.680 175.640 174.900 0.100 0.000 1.295 426 G CA 0.229 45.413 45.100 0.140 0.000 0.884 426 G HN 1.893 nan 8.290 nan 0.000 0.537 427 A N 1.797 124.665 122.820 0.080 0.000 2.899 427 A HA -0.196 4.125 4.320 0.002 0.000 0.257 427 A C 1.465 179.079 177.584 0.049 0.000 1.335 427 A CA 1.749 53.817 52.037 0.052 0.000 0.924 427 A CB -1.831 17.194 19.000 0.042 0.000 1.105 427 A HN 1.143 nan 8.150 nan 0.000 0.765 428 D N -1.906 118.534 120.400 0.067 0.000 2.339 428 D HA 0.381 5.022 4.640 0.002 0.000 0.217 428 D C 1.542 177.873 176.300 0.052 0.000 1.050 428 D CA 1.162 55.199 54.000 0.061 0.000 0.856 428 D CB -0.450 40.399 40.800 0.081 0.000 0.922 428 D HN 1.808 nan 8.370 nan 0.000 0.518 429 G N -0.528 108.297 108.800 0.041 0.000 2.213 429 G HA2 -0.368 3.593 3.960 0.002 0.000 0.236 429 G HA3 -0.368 3.593 3.960 0.002 0.000 0.236 429 G C 1.298 176.203 174.900 0.008 0.000 0.991 429 G CA 0.553 45.663 45.100 0.017 0.000 0.629 429 G HN 0.326 nan 8.290 nan 0.000 0.517 430 T N 0.926 115.517 114.554 0.062 0.000 2.624 430 T HA -0.209 4.142 4.350 0.002 0.000 0.268 430 T C 2.467 177.114 174.700 -0.088 0.000 1.041 430 T CA 2.266 64.408 62.100 0.071 0.000 1.159 430 T CB -0.443 68.531 68.868 0.177 0.000 0.863 430 T HN 0.388 nan 8.240 nan 0.000 0.434 431 V N 1.244 121.080 119.914 -0.130 0.000 2.295 431 V HA -0.130 3.991 4.120 0.002 0.000 0.246 431 V C 2.889 178.767 176.094 -0.359 0.000 1.049 431 V CA 2.105 64.192 62.300 -0.355 0.000 1.024 431 V CB -1.376 30.203 31.823 -0.406 0.000 0.648 431 V HN 0.648 nan 8.190 nan 0.000 0.447 432 G N -0.750 107.924 108.800 -0.210 0.000 2.422 432 G HA2 -0.183 3.778 3.960 0.002 0.000 0.218 432 G HA3 -0.183 3.778 3.960 0.002 0.000 0.218 432 G C 1.734 176.566 174.900 -0.113 0.000 1.146 432 G CA 1.019 46.025 45.100 -0.156 0.000 0.769 432 G HN 0.617 nan 8.290 nan 0.000 0.547 433 A N 1.165 123.925 122.820 -0.099 0.000 1.898 433 A HA -0.053 4.268 4.320 0.002 0.000 0.216 433 A C 2.293 179.799 177.584 -0.130 0.000 1.181 433 A CA 1.739 53.735 52.037 -0.068 0.000 0.620 433 A CB -0.362 18.610 19.000 -0.047 0.000 0.819 433 A HN 0.332 nan 8.150 nan 0.000 0.442 434 N N 0.099 118.664 118.700 -0.225 0.000 2.142 434 N HA -0.104 4.637 4.740 0.002 0.000 0.186 434 N C 1.591 177.085 175.510 -0.026 0.000 1.023 434 N CA 1.402 54.298 53.050 -0.257 0.000 0.852 434 N CB -0.330 38.059 38.487 -0.164 0.000 0.998 434 N HN 0.536 nan 8.380 nan 0.000 0.424 435 K N 0.468 120.856 120.400 -0.019 0.000 2.147 435 K HA -0.055 4.266 4.320 0.002 0.000 0.205 435 K C 1.852 178.488 176.600 0.060 0.000 1.049 435 K CA 0.785 57.102 56.287 0.051 0.000 0.936 435 K CB 0.094 32.559 32.500 -0.059 0.000 0.722 435 K HN 0.094 nan 8.250 nan 0.000 0.446 436 Q N -0.016 119.803 119.800 0.032 0.000 2.187 436 Q HA 0.030 4.371 4.340 0.002 0.000 0.199 436 Q C 2.007 178.104 176.000 0.162 0.000 0.957 436 Q CA 1.120 56.968 55.803 0.075 0.000 0.857 436 Q CB 0.014 28.786 28.738 0.058 0.000 0.929 436 Q HN 0.296 nan 8.270 nan 0.000 0.453 437 A N 0.524 123.437 122.820 0.156 0.000 1.902 437 A HA -0.153 4.168 4.320 0.002 0.000 0.217 437 A C 2.119 179.884 177.584 0.303 0.000 1.181 437 A CA 1.163 53.359 52.037 0.264 0.000 0.623 437 A CB -0.604 18.317 19.000 -0.132 0.000 0.818 437 A HN 0.341 nan 8.150 nan 0.000 0.443 438 I N -0.911 119.823 120.570 0.274 0.000 2.315 438 I HA -0.231 3.940 4.170 0.002 0.000 0.248 438 I C 2.472 178.742 176.117 0.256 0.000 1.117 438 I CA 1.653 63.166 61.300 0.355 0.000 1.404 438 I CB -0.184 37.967 38.000 0.251 0.000 1.071 438 I HN 0.220 nan 8.210 nan 0.000 0.419 439 K N 1.100 121.609 120.400 0.181 0.000 2.026 439 K HA -0.112 4.209 4.320 0.002 0.000 0.208 439 K C 2.026 178.702 176.600 0.126 0.000 1.048 439 K CA 1.499 57.862 56.287 0.127 0.000 0.929 439 K CB -0.122 32.431 32.500 0.088 0.000 0.713 439 K HN 0.199 nan 8.250 nan 0.000 0.439 440 I N 0.390 121.054 120.570 0.158 0.000 2.142 440 I HA -0.303 3.868 4.170 0.002 0.000 0.240 440 I C 2.110 178.311 176.117 0.139 0.000 1.078 440 I CA 1.334 62.713 61.300 0.132 0.000 1.343 440 I CB -0.285 37.807 38.000 0.153 0.000 1.046 440 I HN 0.149 nan 8.210 nan 0.000 0.405 441 I N 0.761 121.455 120.570 0.207 0.000 2.179 441 I HA -0.212 3.959 4.170 0.002 0.000 0.242 441 I C 2.650 178.852 176.117 0.141 0.000 1.088 441 I CA 1.759 63.151 61.300 0.154 0.000 1.357 441 I CB -0.823 37.231 38.000 0.090 0.000 1.051 441 I HN 0.252 nan 8.210 nan 0.000 0.409 442 G N -0.117 108.787 108.800 0.173 0.000 2.448 442 G HA2 -0.209 3.752 3.960 0.002 0.000 0.219 442 G HA3 -0.209 3.752 3.960 0.002 0.000 0.219 442 G C 1.136 176.065 174.900 0.049 0.000 1.127 442 G CA 0.866 46.034 45.100 0.112 0.000 0.766 442 G HN 0.294 nan 8.290 nan 0.000 0.552 443 D N -0.165 120.266 120.400 0.052 0.000 2.346 443 D HA 0.046 4.687 4.640 0.002 0.000 0.206 443 D C 1.492 177.798 176.300 0.011 0.000 1.001 443 D CA 0.297 54.310 54.000 0.022 0.000 0.871 443 D CB 0.156 40.970 40.800 0.023 0.000 0.943 443 D HN 0.223 nan 8.370 nan 0.000 0.518 444 N N -0.191 118.521 118.700 0.019 0.000 2.170 444 N HA 0.037 4.778 4.740 0.002 0.000 0.222 444 N C 0.077 175.591 175.510 0.006 0.000 1.218 444 N CA 0.210 53.264 53.050 0.007 0.000 0.889 444 N CB 1.740 40.228 38.487 0.003 0.000 1.083 444 N HN 0.181 nan 8.380 nan 0.000 0.520 445 T N -1.808 112.752 114.554 0.010 0.000 2.838 445 T HA 0.357 4.708 4.350 0.002 0.000 0.292 445 T C -0.874 173.814 174.700 -0.020 0.000 1.113 445 T CA -0.696 61.407 62.100 0.006 0.000 1.008 445 T CB 1.875 70.760 68.868 0.027 0.000 1.259 445 T HN -0.110 nan 8.240 nan 0.000 0.520 446 D N 0.461 120.841 120.400 -0.033 0.000 2.559 446 D HA 0.322 4.962 4.640 0.002 0.000 0.234 446 D C 0.196 176.412 176.300 -0.142 0.000 1.226 446 D CA -0.416 53.527 54.000 -0.094 0.000 0.830 446 D CB -0.292 40.467 40.800 -0.068 0.000 1.028 446 D HN 0.442 nan 8.370 nan 0.000 0.492 447 L N 0.072 121.256 121.223 -0.065 0.000 2.379 447 L HA 0.413 4.754 4.340 0.002 0.000 0.269 447 L C 0.026 176.852 176.870 -0.073 0.000 1.084 447 L CA -1.044 53.810 54.840 0.024 0.000 0.802 447 L CB 0.753 42.915 42.059 0.172 0.000 1.175 447 L HN -0.090 nan 8.230 nan 0.000 0.448 448 F N 0.956 120.973 119.950 0.112 0.000 2.389 448 F HA 0.546 5.074 4.527 0.002 0.000 0.337 448 F C 0.588 176.443 175.800 0.093 0.000 1.112 448 F CA -0.165 57.883 58.000 0.080 0.000 1.192 448 F CB 1.209 40.236 39.000 0.045 0.000 1.185 448 F HN 0.415 nan 8.300 nan 0.000 0.552 449 A N 2.628 125.570 122.820 0.202 0.000 2.475 449 A HA 0.707 5.028 4.320 0.002 0.000 0.301 449 A C -1.314 176.233 177.584 -0.062 0.000 1.059 449 A CA -0.618 51.424 52.037 0.008 0.000 0.710 449 A CB 2.033 21.131 19.000 0.164 0.000 1.288 449 A HN 0.706 nan 8.150 nan 0.000 0.408 450 Q N 0.743 120.397 119.800 -0.244 0.000 2.345 450 Q HA 0.607 4.948 4.340 0.002 0.000 0.275 450 Q C -0.957 174.920 176.000 -0.204 0.000 1.063 450 Q CA -0.594 55.120 55.803 -0.148 0.000 0.819 450 Q CB 2.352 31.009 28.738 -0.135 0.000 1.356 450 Q HN 1.281 nan 8.270 nan 0.000 0.418 451 G N 1.872 110.607 108.800 -0.108 0.000 2.701 451 G HA2 0.577 4.538 3.960 0.002 0.000 0.300 451 G HA3 0.577 4.538 3.960 0.002 0.000 0.300 451 G C -2.458 172.307 174.900 -0.225 0.000 1.410 451 G CA -0.295 44.678 45.100 -0.213 0.000 1.014 451 G HN 0.483 nan 8.290 nan 0.000 0.509 452 Y N 1.890 121.769 120.300 -0.703 0.000 2.348 452 Y HA 0.627 5.178 4.550 0.002 0.000 0.321 452 Y C -1.718 173.748 175.900 -0.723 0.000 1.163 452 Y CA -1.348 56.457 58.100 -0.492 0.000 1.070 452 Y CB 1.179 39.493 38.460 -0.242 0.000 1.250 452 Y HN 0.493 nan 8.280 nan 0.000 0.425 453 F N 2.689 122.312 119.950 -0.545 0.000 2.470 453 F HA 0.734 5.262 4.527 0.002 0.000 0.329 453 F C 0.303 175.666 175.800 -0.728 0.000 1.072 453 F CA -0.829 56.855 58.000 -0.526 0.000 0.989 453 F CB 2.109 40.736 39.000 -0.621 0.000 1.193 453 F HN 0.298 nan 8.300 nan 0.000 0.481 454 S N 0.737 116.186 115.700 -0.418 0.000 2.503 454 S HA 0.681 5.152 4.470 0.002 0.000 0.301 454 S C -1.301 173.036 174.600 -0.439 0.000 1.087 454 S CA -0.571 57.416 58.200 -0.355 0.000 1.042 454 S CB 0.980 64.077 63.200 -0.171 0.000 1.043 454 S HN 0.431 nan 8.310 nan 0.000 0.489 455 Y N 0.250 120.526 120.300 -0.040 0.000 2.753 455 Y HA 0.524 5.075 4.550 0.002 0.000 0.324 455 Y C 0.388 176.275 175.900 -0.021 0.000 1.147 455 Y CA -1.039 57.053 58.100 -0.014 0.000 1.173 455 Y CB 0.778 39.250 38.460 0.021 0.000 1.361 455 Y HN 0.450 nan 8.280 nan 0.000 0.545 456 D N -0.985 119.536 120.400 0.202 0.000 2.272 456 D HA 0.235 4.876 4.640 0.002 0.000 0.247 456 D C 0.176 176.552 176.300 0.126 0.000 0.990 456 D CA -0.053 54.021 54.000 0.124 0.000 0.931 456 D CB 2.286 43.160 40.800 0.123 0.000 1.195 456 D HN 0.482 nan 8.370 nan 0.000 0.477 457 S N 0.426 116.193 115.700 0.111 0.000 2.470 457 S HA 0.000 4.471 4.470 0.002 0.000 0.225 457 S C 0.405 175.078 174.600 0.121 0.000 1.006 457 S CA 0.253 58.518 58.200 0.109 0.000 0.934 457 S CB 0.166 63.424 63.200 0.098 0.000 0.778 457 S HN 0.256 nan 8.310 nan 0.000 0.517 458 K N 2.159 122.638 120.400 0.130 0.000 2.350 458 K HA 0.192 4.513 4.320 0.002 0.000 0.279 458 K C 0.603 177.281 176.600 0.129 0.000 1.027 458 K CA 0.121 56.493 56.287 0.142 0.000 0.969 458 K CB 0.577 33.164 32.500 0.145 0.000 0.954 458 K HN 0.140 nan 8.250 nan 0.000 0.474 459 K N 0.307 120.787 120.400 0.134 0.000 2.262 459 K HA 0.063 4.384 4.320 0.002 0.000 0.200 459 K C 0.268 176.925 176.600 0.096 0.000 1.049 459 K CA 0.520 56.874 56.287 0.112 0.000 0.979 459 K CB 0.404 32.980 32.500 0.128 0.000 0.773 459 K HN 0.275 nan 8.250 nan 0.000 0.474 460 S N -0.799 114.960 115.700 0.098 0.000 2.532 460 S HA 0.459 4.930 4.470 0.002 0.000 0.299 460 S C 0.031 174.680 174.600 0.082 0.000 1.105 460 S CA -0.241 58.003 58.200 0.073 0.000 1.018 460 S CB 1.724 64.950 63.200 0.042 0.000 1.021 460 S HN 0.483 nan 8.310 nan 0.000 0.483 461 G N 2.653 111.508 108.800 0.091 0.000 2.160 461 G HA2 -0.174 3.787 3.960 0.002 0.000 0.251 461 G HA3 -0.174 3.787 3.960 0.002 0.000 0.251 461 G C 0.410 175.412 174.900 0.171 0.000 1.008 461 G CA -0.095 45.076 45.100 0.120 0.000 0.724 461 G HN 1.053 nan 8.290 nan 0.000 0.514 462 G N -0.891 108.006 108.800 0.162 0.000 2.539 462 G HA2 0.536 4.497 3.960 0.002 0.000 0.258 462 G HA3 0.536 4.497 3.960 0.002 0.000 0.258 462 G C 0.533 175.559 174.900 0.210 0.000 1.202 462 G CA -0.135 45.071 45.100 0.176 0.000 0.851 462 G HN 0.893 nan 8.290 nan 0.000 0.556 463 I N -0.370 120.302 120.570 0.170 0.000 2.886 463 I HA 0.540 4.710 4.170 0.002 0.000 0.299 463 I C -0.289 175.854 176.117 0.042 0.000 1.044 463 I CA 0.012 61.374 61.300 0.104 0.000 1.310 463 I CB 1.769 39.657 38.000 -0.186 0.000 1.441 463 I HN 0.407 nan 8.210 nan 0.000 0.578 464 T N 6.689 121.236 114.554 -0.011 0.000 2.993 464 T HA 0.482 4.833 4.350 0.002 0.000 0.312 464 T C -1.222 173.330 174.700 -0.246 0.000 1.115 464 T CA -0.339 61.709 62.100 -0.087 0.000 1.027 464 T CB 1.415 70.299 68.868 0.026 0.000 1.116 464 T HN 0.485 nan 8.240 nan 0.000 0.464 465 I N 2.925 123.269 120.570 -0.377 0.000 2.468 465 I HA 0.632 4.803 4.170 0.002 0.000 0.284 465 I C -0.597 175.309 176.117 -0.351 0.000 1.038 465 I CA 0.064 61.019 61.300 -0.576 0.000 1.083 465 I CB 1.610 38.954 38.000 -1.093 0.000 1.223 465 I HN 0.460 nan 8.210 nan 0.000 0.443 466 S N 5.543 121.096 115.700 -0.244 0.000 2.585 466 S HA 0.559 5.030 4.470 0.002 0.000 0.277 466 S C -0.923 173.458 174.600 -0.365 0.000 1.241 466 S CA -0.261 57.870 58.200 -0.115 0.000 1.041 466 S CB 0.562 63.852 63.200 0.150 0.000 0.987 466 S HN 0.663 nan 8.310 nan 0.000 0.512 467 H N 1.039 119.969 119.070 -0.233 0.000 2.906 467 H HA 0.513 5.070 4.556 0.002 0.000 0.324 467 H C -0.817 174.404 175.328 -0.178 0.000 0.973 467 H CA -0.383 55.588 56.048 -0.127 0.000 1.321 467 H CB 0.531 30.223 29.762 -0.117 0.000 1.535 467 H HN 0.310 nan 8.280 nan 0.000 0.518 468 L N 3.004 124.243 121.223 0.027 0.000 2.342 468 L HA 0.684 5.025 4.340 0.002 0.000 0.271 468 L C -0.052 176.719 176.870 -0.164 0.000 1.008 468 L CA -0.871 53.910 54.840 -0.099 0.000 0.818 468 L CB 2.189 44.288 42.059 0.067 0.000 1.296 468 L HN 0.455 nan 8.230 nan 0.000 0.427 469 R N 1.934 122.144 120.500 -0.483 0.000 2.673 469 R HA 0.696 5.037 4.340 0.002 0.000 0.281 469 R C -1.822 174.032 176.300 -0.743 0.000 0.991 469 R CA -0.667 55.214 56.100 -0.365 0.000 0.896 469 R CB 2.579 32.756 30.300 -0.205 0.000 1.201 469 R HN 0.329 nan 8.270 nan 0.000 0.457 470 F N 0.009 120.024 119.950 0.109 0.000 2.569 470 F HA 0.720 5.248 4.527 0.002 0.000 0.312 470 F C 0.444 176.321 175.800 0.127 0.000 1.109 470 F CA -0.625 57.452 58.000 0.129 0.000 0.919 470 F CB 2.859 41.936 39.000 0.129 0.000 1.211 470 F HN 0.652 nan 8.300 nan 0.000 0.446 471 G N 1.486 110.480 108.800 0.324 0.000 2.601 471 G HA2 0.311 4.272 3.960 0.002 0.000 0.291 471 G HA3 0.311 4.272 3.960 0.002 0.000 0.291 471 G C -0.440 174.665 174.900 0.342 0.000 1.456 471 G CA -0.648 44.608 45.100 0.260 0.000 0.804 471 G HN 0.434 nan 8.290 nan 0.000 0.499 472 E N -0.394 119.964 120.200 0.264 0.000 2.427 472 E HA 0.013 4.364 4.350 0.002 0.000 0.196 472 E C 0.393 177.216 176.600 0.371 0.000 1.028 472 E CA 0.710 57.291 56.400 0.303 0.000 0.864 472 E CB 0.266 30.073 29.700 0.178 0.000 0.813 472 E HN 0.159 nan 8.360 nan 0.000 0.514 473 K N 0.951 121.451 120.400 0.166 0.000 2.156 473 K HA 0.395 4.716 4.320 0.002 0.000 0.254 473 K C -2.584 173.612 176.600 -0.673 0.000 0.950 473 K CA -2.723 53.487 56.287 -0.128 0.000 0.849 473 K CB 1.011 33.467 32.500 -0.074 0.000 1.100 473 K HN -0.221 nan 8.250 nan 0.000 0.434 474 P HA 0.075 nan 4.420 nan 0.000 0.264 474 P C -0.299 176.680 177.300 -0.536 0.000 1.183 474 P CA 0.270 62.510 63.100 -1.434 0.000 0.763 474 P CB 0.291 31.500 31.700 -0.819 0.000 0.807 475 I N 3.741 124.120 120.570 -0.319 0.000 2.291 475 I HA 0.090 4.261 4.170 0.002 0.000 0.292 475 I C 1.261 177.333 176.117 -0.076 0.000 1.064 475 I CA 0.298 61.520 61.300 -0.131 0.000 1.269 475 I CB 0.253 38.213 38.000 -0.067 0.000 1.418 475 I HN 0.298 nan 8.210 nan 0.000 0.485 476 Q N 3.406 123.178 119.800 -0.047 0.000 2.204 476 Q HA 0.159 4.500 4.340 0.002 0.000 0.209 476 Q C 0.066 176.100 176.000 0.057 0.000 0.861 476 Q CA -0.098 55.714 55.803 0.014 0.000 0.971 476 Q CB 0.513 29.272 28.738 0.034 0.000 1.095 476 Q HN 0.588 nan 8.270 nan 0.000 0.486 477 S N 1.974 117.660 115.700 -0.022 0.000 3.530 477 S HA 0.034 4.505 4.470 0.002 0.000 0.279 477 S C 0.659 175.130 174.600 -0.216 0.000 1.280 477 S CA -0.223 57.894 58.200 -0.138 0.000 0.946 477 S CB -0.103 62.838 63.200 -0.431 0.000 1.501 477 S HN 0.264 nan 8.310 nan 0.000 0.498 478 T N 1.020 115.612 114.554 0.064 0.000 3.843 478 T HA 0.415 4.766 4.350 0.002 0.000 0.227 478 T C -0.278 174.484 174.700 0.103 0.000 1.043 478 T CA -0.575 61.545 62.100 0.035 0.000 1.012 478 T CB -1.149 67.788 68.868 0.116 0.000 1.279 478 T HN 0.572 nan 8.240 nan 0.000 0.730 479 Y N -1.500 118.706 120.300 -0.157 0.000 2.656 479 Y HA 0.642 5.193 4.550 0.002 0.000 0.334 479 Y C -1.004 174.745 175.900 -0.252 0.000 1.179 479 Y CA -2.240 55.749 58.100 -0.185 0.000 1.050 479 Y CB 0.632 39.036 38.460 -0.093 0.000 1.308 479 Y HN 0.054 nan 8.280 nan 0.000 0.456 480 L N 1.888 122.984 121.223 -0.211 0.000 2.476 480 L HA 0.332 4.673 4.340 0.002 0.000 0.264 480 L C 0.033 176.826 176.870 -0.128 0.000 1.224 480 L CA -1.108 53.509 54.840 -0.371 0.000 0.821 480 L CB 0.369 42.168 42.059 -0.433 0.000 1.101 480 L HN 0.531 nan 8.230 nan 0.000 0.488 481 V N 1.715 121.651 119.914 0.037 0.000 2.572 481 V HA -0.023 4.098 4.120 0.002 0.000 0.291 481 V C 0.578 176.769 176.094 0.162 0.000 1.039 481 V CA 0.257 62.619 62.300 0.103 0.000 1.055 481 V CB 0.967 32.894 31.823 0.173 0.000 0.969 481 V HN 0.995 nan 8.190 nan 0.000 0.482 482 N N 3.068 121.858 118.700 0.150 0.000 2.239 482 N HA 0.109 4.850 4.740 0.002 0.000 0.208 482 N C 0.334 175.905 175.510 0.102 0.000 1.200 482 N CA -0.221 52.910 53.050 0.134 0.000 0.895 482 N CB 0.523 39.091 38.487 0.135 0.000 1.085 482 N HN 0.401 nan 8.380 nan 0.000 0.500 483 R N 1.262 121.820 120.500 0.095 0.000 2.402 483 R HA 0.558 4.899 4.340 0.002 0.000 0.290 483 R C -0.913 175.433 176.300 0.076 0.000 1.321 483 R CA -0.451 55.691 56.100 0.071 0.000 1.283 483 R CB 1.142 31.476 30.300 0.056 0.000 1.111 483 R HN 0.233 nan 8.270 nan 0.000 0.578 484 A N 1.503 124.369 122.820 0.077 0.000 2.340 484 A HA 0.223 4.544 4.320 0.002 0.000 0.268 484 A C 0.577 178.224 177.584 0.104 0.000 1.100 484 A CA -0.380 51.711 52.037 0.091 0.000 0.803 484 A CB 0.561 19.611 19.000 0.083 0.000 1.043 484 A HN 0.535 nan 8.150 nan 0.000 0.488 485 D N -0.741 119.743 120.400 0.141 0.000 2.277 485 D HA 0.042 4.683 4.640 0.002 0.000 0.209 485 D C -0.734 175.707 176.300 0.234 0.000 0.970 485 D CA 1.557 55.658 54.000 0.168 0.000 0.874 485 D CB 0.284 41.189 40.800 0.175 0.000 0.982 485 D HN 0.570 nan 8.370 nan 0.000 0.504 486 Y N 1.069 121.407 120.300 0.065 0.000 2.354 486 Y HA 0.368 4.919 4.550 0.002 0.000 0.330 486 Y C -1.436 174.442 175.900 -0.037 0.000 1.011 486 Y CA -0.675 57.449 58.100 0.040 0.000 1.099 486 Y CB 1.452 39.933 38.460 0.034 0.000 1.179 486 Y HN -0.400 nan 8.280 nan 0.000 0.442 487 V N 5.281 125.014 119.914 -0.302 0.000 2.604 487 V HA 0.901 5.022 4.120 0.002 0.000 0.305 487 V C -0.724 175.221 176.094 -0.249 0.000 1.043 487 V CA -0.515 61.686 62.300 -0.165 0.000 0.888 487 V CB 1.585 33.439 31.823 0.052 0.000 0.995 487 V HN 0.899 nan 8.190 nan 0.000 0.429 488 A N 3.157 125.874 122.820 -0.173 0.000 2.359 488 A HA 0.652 4.973 4.320 0.002 0.000 0.303 488 A C -0.730 176.943 177.584 0.149 0.000 1.066 488 A CA -0.412 51.598 52.037 -0.045 0.000 0.730 488 A CB 1.420 20.456 19.000 0.061 0.000 1.211 488 A HN 0.972 nan 8.150 nan 0.000 0.439 489 C N 3.544 122.972 119.300 0.213 0.000 2.258 489 C HA 0.523 4.984 4.460 0.002 0.000 0.321 489 C C 0.886 176.038 174.990 0.271 0.000 1.168 489 C CA -0.361 58.820 59.018 0.270 0.000 1.531 489 C CB -1.568 26.341 27.740 0.282 0.000 2.095 489 C HN 1.008 nan 8.230 nan 0.000 0.449 490 H N 2.756 121.938 119.070 0.187 0.000 2.547 490 H HA 0.083 4.640 4.556 0.002 0.000 0.266 490 H C 0.635 175.917 175.328 -0.076 0.000 0.988 490 H CA 0.247 56.335 56.048 0.067 0.000 1.147 490 H CB 0.264 30.103 29.762 0.128 0.000 1.365 490 H HN 0.695 nan 8.280 nan 0.000 0.589 491 N N 0.968 119.611 118.700 -0.095 0.000 2.491 491 N HA 0.065 4.806 4.740 0.002 0.000 0.274 491 N C -1.997 173.337 175.510 -0.294 0.000 1.023 491 N CA -2.182 50.656 53.050 -0.354 0.000 0.902 491 N CB 1.684 39.635 38.487 -0.893 0.000 1.267 491 N HN -0.146 nan 8.380 nan 0.000 0.503 492 P HA -0.166 nan 4.420 nan 0.000 0.219 492 P C 0.946 178.296 177.300 0.084 0.000 1.146 492 P CA 0.930 63.888 63.100 -0.236 0.000 0.808 492 P CB 0.236 31.536 31.700 -0.666 0.000 0.779 493 A N -0.702 122.141 122.820 0.038 0.000 1.972 493 A HA -0.194 4.127 4.320 0.002 0.000 0.219 493 A C 1.988 179.739 177.584 0.278 0.000 1.169 493 A CA 1.109 53.248 52.037 0.169 0.000 0.635 493 A CB -1.684 17.383 19.000 0.111 0.000 0.810 493 A HN 0.076 nan 8.150 nan 0.000 0.446 494 Y N -0.808 119.600 120.300 0.179 0.000 2.403 494 Y HA -0.073 4.478 4.550 0.002 0.000 0.291 494 Y C 2.478 178.412 175.900 0.057 0.000 1.143 494 Y CA 0.021 58.235 58.100 0.189 0.000 1.257 494 Y CB -1.293 37.340 38.460 0.289 0.000 0.984 494 Y HN 0.134 nan 8.280 nan 0.000 0.550 495 V N -0.265 119.805 119.914 0.260 0.000 2.392 495 V HA -0.249 3.872 4.120 0.002 0.000 0.249 495 V C 2.317 178.447 176.094 0.061 0.000 1.059 495 V CA 2.252 64.653 62.300 0.167 0.000 1.051 495 V CB -0.927 31.086 31.823 0.316 0.000 0.658 495 V HN 0.517 nan 8.190 nan 0.000 0.455 496 G N -0.853 107.992 108.800 0.074 0.000 2.683 496 G HA2 -0.009 3.952 3.960 0.002 0.000 0.213 496 G HA3 -0.009 3.952 3.960 0.002 0.000 0.213 496 G C 1.316 176.172 174.900 -0.074 0.000 1.142 496 G CA 0.784 45.877 45.100 -0.012 0.000 0.793 496 G HN 0.645 nan 8.290 nan 0.000 0.534 497 I N -4.326 116.169 120.570 -0.126 0.000 3.616 497 I HA 0.431 4.602 4.170 0.002 0.000 0.296 497 I C 0.187 176.034 176.117 -0.449 0.000 1.226 497 I CA -0.378 60.728 61.300 -0.323 0.000 1.394 497 I CB 0.310 38.033 38.000 -0.461 0.000 1.171 497 I HN -0.148 nan 8.210 nan 0.000 0.442 498 Y N 1.479 121.732 120.300 -0.079 0.000 2.567 498 Y HA 0.441 4.992 4.550 0.001 0.000 0.333 498 Y C 0.001 175.745 175.900 -0.261 0.000 1.106 498 Y CA -1.226 56.774 58.100 -0.167 0.000 1.157 498 Y CB 0.517 38.798 38.460 -0.298 0.000 1.277 498 Y HN -0.118 nan 8.280 nan 0.000 0.490 499 D N 1.952 122.343 120.400 -0.016 0.000 2.713 499 D HA 0.103 4.744 4.640 0.002 0.000 0.229 499 D C 1.115 177.272 176.300 -0.239 0.000 1.136 499 D CA 0.217 54.156 54.000 -0.103 0.000 1.010 499 D CB -0.149 40.649 40.800 -0.003 0.000 1.084 499 D HN 0.376 nan 8.370 nan 0.000 0.495 500 I N 0.704 120.970 120.570 -0.506 0.000 2.194 500 I HA -0.266 3.905 4.170 0.002 0.000 0.246 500 I C 1.777 177.651 176.117 -0.406 0.000 1.093 500 I CA 0.734 61.575 61.300 -0.765 0.000 1.355 500 I CB -0.631 36.964 38.000 -0.674 0.000 1.046 500 I HN 0.310 nan 8.210 nan 0.000 0.413 501 L N 0.581 121.577 121.223 -0.379 0.000 2.592 501 L HA 0.149 4.490 4.340 0.002 0.000 0.227 501 L C 1.199 177.978 176.870 -0.151 0.000 1.127 501 L CA -0.010 54.637 54.840 -0.322 0.000 0.884 501 L CB -1.128 40.661 42.059 -0.450 0.000 1.065 501 L HN 0.298 nan 8.230 nan 0.000 0.457 502 E N 0.228 120.381 120.200 -0.078 0.000 2.652 502 E HA 0.090 4.441 4.350 0.002 0.000 0.255 502 E C 1.364 177.971 176.600 0.011 0.000 0.952 502 E CA 0.809 57.199 56.400 -0.017 0.000 0.947 502 E CB 0.159 29.880 29.700 0.035 0.000 0.912 502 E HN 0.430 nan 8.360 nan 0.000 0.489 503 G N 4.277 113.079 108.800 0.004 0.000 2.196 503 G HA2 -0.350 3.611 3.960 0.002 0.000 0.268 503 G HA3 -0.350 3.611 3.960 0.002 0.000 0.268 503 G C 0.476 175.388 174.900 0.019 0.000 0.975 503 G CA 0.346 45.458 45.100 0.021 0.000 0.648 503 G HN 0.711 nan 8.290 nan 0.000 0.538 504 I N 0.916 121.484 120.570 -0.004 0.000 2.845 504 I HA 0.202 4.373 4.170 0.002 0.000 0.296 504 I C 0.965 177.093 176.117 0.019 0.000 1.216 504 I CA 0.001 61.305 61.300 0.006 0.000 1.438 504 I CB 0.285 38.265 38.000 -0.034 0.000 1.342 504 I HN 0.160 nan 8.210 nan 0.000 0.577 505 K N 5.199 125.625 120.400 0.044 0.000 2.380 505 K HA 0.036 4.357 4.320 0.002 0.000 0.267 505 K C -0.489 176.141 176.600 0.050 0.000 0.990 505 K CA -0.166 56.151 56.287 0.048 0.000 0.946 505 K CB 0.239 32.778 32.500 0.065 0.000 0.937 505 K HN 0.537 nan 8.250 nan 0.000 0.491 506 D N 0.327 120.755 120.400 0.046 0.000 2.455 506 D HA 0.114 4.755 4.640 0.002 0.000 0.241 506 D C 0.977 177.322 176.300 0.075 0.000 1.138 506 D CA 1.784 55.815 54.000 0.052 0.000 0.877 506 D CB 0.542 41.370 40.800 0.046 0.000 1.187 506 D HN 0.660 nan 8.370 nan 0.000 0.451 507 G N 1.806 110.663 108.800 0.094 0.000 2.168 507 G HA2 -0.208 3.753 3.960 0.002 0.000 0.263 507 G HA3 -0.208 3.753 3.960 0.002 0.000 0.263 507 G C 0.764 175.750 174.900 0.144 0.000 0.977 507 G CA 0.067 45.240 45.100 0.121 0.000 0.659 507 G HN 0.794 nan 8.290 nan 0.000 0.533 508 G N -0.881 108.000 108.800 0.134 0.000 2.651 508 G HA2 0.604 4.565 3.960 0.002 0.000 0.260 508 G HA3 0.604 4.565 3.960 0.002 0.000 0.260 508 G C 0.367 175.392 174.900 0.208 0.000 1.216 508 G CA 0.876 46.070 45.100 0.156 0.000 0.913 508 G HN 1.358 nan 8.290 nan 0.000 0.535 509 T N -2.049 112.646 114.554 0.233 0.000 2.855 509 T HA 0.598 4.949 4.350 0.002 0.000 0.281 509 T C -1.290 173.543 174.700 0.222 0.000 1.007 509 T CA -0.748 61.530 62.100 0.298 0.000 1.009 509 T CB 1.255 70.346 68.868 0.371 0.000 0.983 509 T HN 0.539 nan 8.240 nan 0.000 0.455 510 F N 5.763 125.802 119.950 0.147 0.000 2.499 510 F HA 0.609 5.137 4.527 0.002 0.000 0.333 510 F C -1.054 174.884 175.800 0.230 0.000 1.138 510 F CA -1.439 56.607 58.000 0.077 0.000 0.945 510 F CB 1.487 40.551 39.000 0.107 0.000 1.181 510 F HN 0.615 nan 8.300 nan 0.000 0.435 511 V N 7.801 127.521 119.914 -0.323 0.000 2.417 511 V HA 0.801 4.921 4.120 0.002 0.000 0.291 511 V C -1.902 173.915 176.094 -0.462 0.000 1.024 511 V CA -0.622 61.491 62.300 -0.312 0.000 0.861 511 V CB 1.354 33.088 31.823 -0.148 0.000 0.985 511 V HN 0.872 nan 8.190 nan 0.000 0.436 512 L N 5.267 126.215 121.223 -0.459 0.000 2.346 512 L HA 0.591 4.932 4.340 0.002 0.000 0.274 512 L C -0.298 176.462 176.870 -0.183 0.000 1.007 512 L CA -0.288 54.364 54.840 -0.314 0.000 0.818 512 L CB 1.880 43.760 42.059 -0.298 0.000 1.284 512 L HN 0.937 nan 8.230 nan 0.000 0.424 513 N N 3.019 121.642 118.700 -0.128 0.000 2.425 513 N HA 0.645 5.386 4.740 0.002 0.000 0.268 513 N C -1.317 174.012 175.510 -0.301 0.000 0.991 513 N CA 0.107 53.060 53.050 -0.162 0.000 0.931 513 N CB 0.817 39.243 38.487 -0.100 0.000 1.130 513 N HN 0.847 nan 8.380 nan 0.000 0.493 514 S N 2.750 118.218 115.700 -0.387 0.000 2.633 514 S HA 0.327 4.798 4.470 0.002 0.000 0.271 514 S C -2.915 171.357 174.600 -0.547 0.000 1.112 514 S CA -0.784 56.987 58.200 -0.714 0.000 0.828 514 S CB 1.980 64.436 63.200 -1.241 0.000 1.086 514 S HN 0.454 nan 8.310 nan 0.000 0.461 515 P HA 0.275 nan 4.420 nan 0.000 0.261 515 P C -0.535 176.719 177.300 -0.076 0.000 1.352 515 P CA 0.066 62.998 63.100 -0.280 0.000 0.891 515 P CB -0.194 31.389 31.700 -0.196 0.000 1.383 516 W N 1.493 122.769 121.300 -0.040 0.000 1.606 516 W HA 0.236 4.897 4.660 0.002 0.000 0.455 516 W C 0.909 177.513 176.519 0.143 0.000 0.711 516 W CA -0.548 56.808 57.345 0.017 0.000 1.876 516 W CB -1.125 28.328 29.460 -0.011 0.000 1.776 516 W HN 0.012 nan 8.180 nan 0.000 0.229 517 S N 0.885 116.754 115.700 0.282 0.000 2.357 517 S HA -0.109 4.362 4.470 0.002 0.000 0.221 517 S C 1.342 176.121 174.600 0.297 0.000 1.031 517 S CA 0.830 59.185 58.200 0.257 0.000 0.982 517 S CB -0.236 63.044 63.200 0.133 0.000 0.853 517 S HN 0.410 nan 8.310 nan 0.000 0.458 518 S N 1.812 117.660 115.700 0.246 0.000 2.600 518 S HA 0.285 4.756 4.470 0.002 0.000 0.265 518 S C 0.899 175.691 174.600 0.321 0.000 1.325 518 S CA -0.677 57.640 58.200 0.194 0.000 1.002 518 S CB 0.584 63.869 63.200 0.141 0.000 0.921 518 S HN 0.111 nan 8.310 nan 0.000 0.554 519 L N 1.050 122.412 121.223 0.231 0.000 2.141 519 L HA 0.040 4.381 4.340 0.002 0.000 0.209 519 L C 2.527 179.609 176.870 0.354 0.000 1.094 519 L CA 1.956 57.031 54.840 0.392 0.000 0.763 519 L CB -1.278 40.897 42.059 0.193 0.000 0.908 519 L HN 1.027 nan 8.230 nan 0.000 0.437 520 E N -0.693 119.644 120.200 0.228 0.000 2.097 520 E HA -0.258 4.093 4.350 0.002 0.000 0.196 520 E C 1.434 178.148 176.600 0.191 0.000 1.000 520 E CA 1.747 58.254 56.400 0.177 0.000 0.804 520 E CB 0.060 29.835 29.700 0.127 0.000 0.740 520 E HN 0.585 nan 8.360 nan 0.000 0.454 521 D N 0.004 120.553 120.400 0.247 0.000 2.120 521 D HA -0.123 4.518 4.640 0.002 0.000 0.202 521 D C 1.930 178.394 176.300 0.273 0.000 0.972 521 D CA 0.782 54.947 54.000 0.275 0.000 0.837 521 D CB -0.324 40.670 40.800 0.324 0.000 0.989 521 D HN 0.186 nan 8.370 nan 0.000 0.469 522 M N 1.329 121.164 119.600 0.391 0.000 2.202 522 M HA -0.149 4.332 4.480 0.002 0.000 0.262 522 M C 1.063 177.482 176.300 0.197 0.000 1.063 522 M CA 1.407 56.937 55.300 0.382 0.000 1.097 522 M CB -0.150 32.796 32.600 0.577 0.000 1.382 522 M HN -0.207 nan 8.290 nan 0.000 0.413 523 D N -0.362 120.185 120.400 0.246 0.000 2.123 523 D HA -0.150 4.491 4.640 0.002 0.000 0.200 523 D C 1.923 178.169 176.300 -0.091 0.000 0.976 523 D CA 1.021 55.072 54.000 0.085 0.000 0.831 523 D CB -0.261 40.653 40.800 0.190 0.000 0.974 523 D HN 0.422 nan 8.370 nan 0.000 0.469 524 K N -0.214 120.130 120.400 -0.092 0.000 2.148 524 K HA -0.137 4.184 4.320 0.002 0.000 0.204 524 K C 1.381 177.677 176.600 -0.508 0.000 1.050 524 K CA 1.097 57.222 56.287 -0.270 0.000 0.942 524 K CB 0.057 32.398 32.500 -0.266 0.000 0.724 524 K HN 0.243 nan 8.250 nan 0.000 0.446 525 H N -1.179 117.578 119.070 -0.522 0.000 2.595 525 H HA 0.137 4.694 4.556 0.002 0.000 0.265 525 H C -0.539 174.404 175.328 -0.642 0.000 0.953 525 H CA -0.240 55.293 56.048 -0.859 0.000 1.197 525 H CB 0.498 29.012 29.762 -2.079 0.000 1.438 525 H HN -0.038 nan 8.280 nan 0.000 0.531 526 L N 2.629 123.663 121.223 -0.316 0.000 2.276 526 L HA 0.314 4.655 4.340 0.002 0.000 0.286 526 L C -2.254 174.439 176.870 -0.295 0.000 1.061 526 L CA -2.448 52.244 54.840 -0.246 0.000 0.807 526 L CB 0.917 42.801 42.059 -0.293 0.000 1.177 526 L HN -0.074 nan 8.230 nan 0.000 0.429 527 P HA 0.124 nan 4.420 nan 0.000 0.269 527 P C 0.456 177.583 177.300 -0.288 0.000 1.215 527 P CA -0.168 62.796 63.100 -0.228 0.000 0.780 527 P CB 0.581 32.175 31.700 -0.176 0.000 0.898 528 S N 1.143 116.690 115.700 -0.256 0.000 2.400 528 S HA -0.151 4.320 4.470 0.002 0.000 0.232 528 S C 2.184 176.637 174.600 -0.246 0.000 1.025 528 S CA 1.360 59.399 58.200 -0.269 0.000 0.993 528 S CB -1.757 61.330 63.200 -0.188 0.000 0.808 528 S HN 0.572 nan 8.310 nan 0.000 0.478 529 G N 2.114 110.792 108.800 -0.204 0.000 2.469 529 G HA2 -0.120 3.841 3.960 0.002 0.000 0.219 529 G HA3 -0.120 3.841 3.960 0.002 0.000 0.219 529 G C 1.411 176.173 174.900 -0.230 0.000 1.150 529 G CA 1.084 46.074 45.100 -0.184 0.000 0.763 529 G HN 0.584 nan 8.290 nan 0.000 0.561 530 I N 0.116 120.517 120.570 -0.283 0.000 2.546 530 I HA -0.083 4.088 4.170 0.002 0.000 0.255 530 I C 2.694 178.555 176.117 -0.427 0.000 1.163 530 I CA 0.875 61.962 61.300 -0.354 0.000 1.457 530 I CB -0.132 37.662 38.000 -0.342 0.000 1.092 530 I HN 0.168 nan 8.210 nan 0.000 0.434 531 K N 0.459 120.558 120.400 -0.501 0.000 2.103 531 K HA -0.124 4.197 4.320 0.002 0.000 0.204 531 K C 2.255 178.724 176.600 -0.219 0.000 1.052 531 K CA 0.961 56.876 56.287 -0.620 0.000 0.945 531 K CB -0.046 31.818 32.500 -1.061 0.000 0.722 531 K HN 0.074 nan 8.250 nan 0.000 0.443 532 R N 0.570 120.959 120.500 -0.184 0.000 2.062 532 R HA -0.038 4.303 4.340 0.002 0.000 0.231 532 R C 2.324 178.572 176.300 -0.086 0.000 1.136 532 R CA 1.744 57.796 56.100 -0.080 0.000 0.948 532 R CB -0.819 29.430 30.300 -0.085 0.000 0.845 532 R HN 0.115 nan 8.270 nan 0.000 0.430 533 T N 0.953 115.420 114.554 -0.145 0.000 2.684 533 T HA -0.134 4.217 4.350 0.002 0.000 0.267 533 T C 1.805 176.412 174.700 -0.155 0.000 1.036 533 T CA 1.619 63.631 62.100 -0.148 0.000 1.148 533 T CB -0.254 68.491 68.868 -0.206 0.000 0.863 533 T HN 0.135 nan 8.240 nan 0.000 0.436 534 I N 1.161 121.591 120.570 -0.234 0.000 2.208 534 I HA -0.206 3.965 4.170 0.002 0.000 0.245 534 I C 2.895 178.850 176.117 -0.271 0.000 1.097 534 I CA 1.237 62.355 61.300 -0.302 0.000 1.363 534 I CB -0.490 37.229 38.000 -0.467 0.000 1.051 534 I HN 0.221 nan 8.210 nan 0.000 0.413 535 A N 1.009 123.755 122.820 -0.122 0.000 1.872 535 A HA -0.180 4.141 4.320 0.002 0.000 0.214 535 A C 2.012 179.675 177.584 0.133 0.000 1.187 535 A CA 1.962 54.063 52.037 0.106 0.000 0.614 535 A CB -0.888 18.249 19.000 0.227 0.000 0.826 535 A HN 0.452 nan 8.150 nan 0.000 0.442 536 N N -0.372 118.364 118.700 0.060 0.000 2.216 536 N HA -0.058 4.683 4.740 0.002 0.000 0.183 536 N C 1.373 176.912 175.510 0.049 0.000 1.017 536 N CA 1.023 54.104 53.050 0.052 0.000 0.861 536 N CB -0.058 38.442 38.487 0.022 0.000 0.986 536 N HN 0.352 nan 8.380 nan 0.000 0.428 537 K N 1.050 121.467 120.400 0.027 0.000 2.487 537 K HA 0.087 4.408 4.320 0.002 0.000 0.192 537 K C -0.336 176.311 176.600 0.080 0.000 1.027 537 K CA 0.237 56.545 56.287 0.034 0.000 1.054 537 K CB 0.271 32.771 32.500 0.001 0.000 0.824 537 K HN 0.116 nan 8.250 nan 0.000 0.510 538 K N 1.404 121.879 120.400 0.125 0.000 3.148 538 K HA -0.170 4.151 4.320 0.002 0.000 0.267 538 K C -0.527 176.208 176.600 0.224 0.000 0.996 538 K CA 0.321 56.732 56.287 0.207 0.000 0.737 538 K CB -1.688 30.901 32.500 0.150 0.000 1.308 538 K HN 0.247 nan 8.250 nan 0.000 0.470 539 L N 0.869 122.214 121.223 0.204 0.000 2.397 539 L HA 0.141 4.482 4.340 0.002 0.000 0.271 539 L C 0.885 177.966 176.870 0.352 0.000 1.148 539 L CA -0.195 54.776 54.840 0.218 0.000 0.825 539 L CB 0.494 42.633 42.059 0.133 0.000 1.117 539 L HN 0.058 nan 8.230 nan 0.000 0.456 540 K N 3.268 123.862 120.400 0.324 0.000 2.171 540 K HA 0.158 4.479 4.320 0.002 0.000 0.274 540 K C -0.572 176.251 176.600 0.371 0.000 1.110 540 K CA -0.241 56.223 56.287 0.296 0.000 0.952 540 K CB 0.068 32.752 32.500 0.307 0.000 1.309 540 K HN 0.224 nan 8.250 nan 0.000 0.414 541 F N 3.295 123.369 119.950 0.206 0.000 2.412 541 F HA 0.250 4.778 4.527 0.002 0.000 0.348 541 F C -0.914 174.900 175.800 0.023 0.000 1.102 541 F CA -0.797 57.326 58.000 0.204 0.000 1.196 541 F CB 0.382 39.533 39.000 0.251 0.000 1.144 541 F HN 0.301 nan 8.300 nan 0.000 0.541 542 Y N 4.338 124.482 120.300 -0.259 0.000 2.373 542 Y HA 0.285 4.836 4.550 0.002 0.000 0.336 542 Y C -0.349 175.196 175.900 -0.593 0.000 0.979 542 Y CA -1.025 56.858 58.100 -0.361 0.000 1.080 542 Y CB 1.537 39.924 38.460 -0.121 0.000 1.190 542 Y HN 0.624 nan 8.280 nan 0.000 0.446 543 N N 3.046 121.537 118.700 -0.348 0.000 2.417 543 N HA 0.723 5.464 4.740 0.002 0.000 0.300 543 N C -1.690 173.772 175.510 -0.079 0.000 1.102 543 N CA -0.522 52.369 53.050 -0.265 0.000 0.886 543 N CB 1.222 39.597 38.487 -0.187 0.000 1.203 543 N HN 0.713 nan 8.380 nan 0.000 0.496 544 I N 1.484 121.996 120.570 -0.096 0.000 2.667 544 I HA 0.195 4.366 4.170 0.002 0.000 0.288 544 I C -1.623 174.434 176.117 -0.100 0.000 1.267 544 I CA -0.624 60.638 61.300 -0.063 0.000 1.055 544 I CB 1.492 39.464 38.000 -0.046 0.000 1.294 544 I HN 0.501 nan 8.210 nan 0.000 0.429 545 D N 6.552 126.901 120.400 -0.085 0.000 2.435 545 D HA 0.326 4.967 4.640 0.002 0.000 0.230 545 D C 0.921 177.168 176.300 -0.090 0.000 1.215 545 D CA 0.306 54.239 54.000 -0.110 0.000 0.947 545 D CB 1.553 42.305 40.800 -0.081 0.000 1.048 545 D HN 0.649 nan 8.370 nan 0.000 0.512 546 A N 3.081 125.839 122.820 -0.104 0.000 2.014 546 A HA -0.072 4.249 4.320 0.002 0.000 0.218 546 A C 2.145 179.682 177.584 -0.077 0.000 1.163 546 A CA 0.633 52.618 52.037 -0.087 0.000 0.652 546 A CB 0.017 18.955 19.000 -0.104 0.000 0.808 546 A HN 0.467 nan 8.150 nan 0.000 0.449 547 V N -0.180 119.683 119.914 -0.084 0.000 2.591 547 V HA -0.153 3.968 4.120 0.002 0.000 0.249 547 V C 2.421 178.483 176.094 -0.054 0.000 1.053 547 V CA 2.103 64.362 62.300 -0.068 0.000 1.068 547 V CB -0.386 31.392 31.823 -0.076 0.000 0.689 547 V HN 0.653 nan 8.190 nan 0.000 0.462 548 K N 0.155 120.522 120.400 -0.055 0.000 2.076 548 K HA -0.026 4.295 4.320 0.002 0.000 0.204 548 K C 2.095 178.674 176.600 -0.036 0.000 1.051 548 K CA 1.164 57.428 56.287 -0.040 0.000 0.949 548 K CB -0.109 32.370 32.500 -0.035 0.000 0.726 548 K HN 0.373 nan 8.250 nan 0.000 0.443 549 I N 1.316 121.862 120.570 -0.040 0.000 2.226 549 I HA -0.261 3.910 4.170 0.002 0.000 0.245 549 I C 2.453 178.546 176.117 -0.039 0.000 1.100 549 I CA 1.202 62.480 61.300 -0.036 0.000 1.374 549 I CB -0.334 37.644 38.000 -0.037 0.000 1.057 549 I HN 0.222 nan 8.210 nan 0.000 0.413 550 A N 0.111 122.905 122.820 -0.044 0.000 1.940 550 A HA -0.211 4.110 4.320 0.002 0.000 0.219 550 A C 2.379 179.940 177.584 -0.038 0.000 1.176 550 A CA 2.548 54.559 52.037 -0.044 0.000 0.631 550 A CB -0.964 18.010 19.000 -0.044 0.000 0.814 550 A HN 0.399 nan 8.150 nan 0.000 0.446 551 T N -0.532 114.002 114.554 -0.033 0.000 2.978 551 T HA -0.037 4.314 4.350 0.002 0.000 0.262 551 T C 1.390 176.075 174.700 -0.026 0.000 1.063 551 T CA 1.067 63.150 62.100 -0.027 0.000 1.140 551 T CB -0.280 68.574 68.868 -0.023 0.000 0.886 551 T HN 0.398 nan 8.240 nan 0.000 0.470 552 D N 1.442 121.826 120.400 -0.026 0.000 2.178 552 D HA -0.075 4.566 4.640 0.002 0.000 0.201 552 D C 2.054 178.338 176.300 -0.027 0.000 0.980 552 D CA 0.850 54.836 54.000 -0.024 0.000 0.842 552 D CB -0.157 40.630 40.800 -0.022 0.000 0.948 552 D HN 0.430 nan 8.370 nan 0.000 0.472 553 V N -3.741 116.153 119.914 -0.034 0.000 3.649 553 V HA 0.464 4.585 4.120 0.002 0.000 0.275 553 V C 1.480 177.548 176.094 -0.043 0.000 1.281 553 V CA 0.558 62.834 62.300 -0.041 0.000 1.143 553 V CB -0.037 31.755 31.823 -0.052 0.000 0.892 553 V HN 0.191 nan 8.190 nan 0.000 0.441 554 G N 0.969 109.747 108.800 -0.036 0.000 2.159 554 G HA2 -0.276 3.685 3.960 0.002 0.000 0.256 554 G HA3 -0.276 3.685 3.960 0.002 0.000 0.256 554 G C 0.468 175.346 174.900 -0.037 0.000 0.977 554 G CA 0.533 45.613 45.100 -0.033 0.000 0.652 554 G HN 0.549 nan 8.290 nan 0.000 0.531 555 L N 0.900 122.096 121.223 -0.045 0.000 2.627 555 L HA 0.355 4.696 4.340 0.002 0.000 0.233 555 L C 1.902 178.754 176.870 -0.030 0.000 1.144 555 L CA 0.428 55.240 54.840 -0.046 0.000 0.892 555 L CB -0.318 41.704 42.059 -0.061 0.000 1.039 555 L HN 0.814 nan 8.230 nan 0.000 0.442 556 G N 0.668 109.452 108.800 -0.026 0.000 2.296 556 G HA2 -0.178 3.783 3.960 0.002 0.000 0.263 556 G HA3 -0.178 3.783 3.960 0.002 0.000 0.263 556 G C 1.082 175.971 174.900 -0.020 0.000 0.887 556 G CA 0.336 45.424 45.100 -0.020 0.000 1.318 556 G HN 0.651 nan 8.290 nan 0.000 0.403 557 G N 0.194 108.978 108.800 -0.026 0.000 2.205 557 G HA2 -0.367 3.594 3.960 0.002 0.000 0.269 557 G HA3 -0.367 3.594 3.960 0.002 0.000 0.269 557 G C 0.800 175.684 174.900 -0.027 0.000 0.977 557 G CA 0.983 46.066 45.100 -0.028 0.000 0.652 557 G HN 0.989 nan 8.290 nan 0.000 0.539 558 R N 0.299 120.786 120.500 -0.022 0.000 2.316 558 R HA 0.358 4.699 4.340 0.002 0.000 0.314 558 R C 1.745 178.029 176.300 -0.027 0.000 1.069 558 R CA 0.288 56.380 56.100 -0.014 0.000 0.959 558 R CB 0.356 30.657 30.300 0.002 0.000 0.987 558 R HN 0.656 nan 8.270 nan 0.000 0.446 559 I N 0.299 120.849 120.570 -0.034 0.000 3.968 559 I HA 0.000 4.171 4.170 0.002 0.000 0.328 559 I C 1.325 177.400 176.117 -0.069 0.000 1.290 559 I CA 0.043 61.305 61.300 -0.063 0.000 1.163 559 I CB -0.085 37.862 38.000 -0.088 0.000 1.024 559 I HN 0.420 nan 8.210 nan 0.000 0.413 560 N N 1.815 120.498 118.700 -0.028 0.000 2.091 560 N HA -0.310 4.431 4.740 0.002 0.000 0.193 560 N C 1.717 177.232 175.510 0.008 0.000 1.021 560 N CA 2.197 55.242 53.050 -0.009 0.000 0.862 560 N CB -0.498 38.009 38.487 0.032 0.000 1.018 560 N HN 0.333 nan 8.380 nan 0.000 0.429 561 M N -0.422 119.191 119.600 0.023 0.000 2.288 561 M HA 0.235 4.716 4.480 0.002 0.000 0.266 561 M C 1.450 177.759 176.300 0.014 0.000 1.072 561 M CA 1.000 56.321 55.300 0.035 0.000 1.132 561 M CB -0.203 32.398 32.600 0.002 0.000 1.386 561 M HN 0.249 nan 8.290 nan 0.000 0.432 562 I N -0.615 119.943 120.570 -0.021 0.000 2.233 562 I HA -0.240 3.931 4.170 0.002 0.000 0.243 562 I C 1.978 178.083 176.117 -0.021 0.000 1.093 562 I CA 1.026 62.310 61.300 -0.027 0.000 1.380 562 I CB -0.491 37.480 38.000 -0.049 0.000 1.067 562 I HN 0.215 nan 8.210 nan 0.000 0.413 563 M N -0.389 119.163 119.600 -0.081 0.000 2.229 563 M HA -0.188 4.293 4.480 0.002 0.000 0.264 563 M C 2.314 178.670 176.300 0.094 0.000 1.063 563 M CA 1.468 56.705 55.300 -0.105 0.000 1.114 563 M CB -1.279 30.976 32.600 -0.575 0.000 1.387 563 M HN 0.265 nan 8.290 nan 0.000 0.420 564 Q N 0.217 120.080 119.800 0.105 0.000 2.079 564 Q HA -0.093 4.248 4.340 0.002 0.000 0.200 564 Q C 1.778 177.986 176.000 0.348 0.000 0.974 564 Q CA 2.187 58.131 55.803 0.235 0.000 0.840 564 Q CB -0.252 28.622 28.738 0.227 0.000 0.898 564 Q HN 0.461 nan 8.270 nan 0.000 0.430 565 T N 0.202 114.883 114.554 0.212 0.000 2.821 565 T HA -0.083 4.268 4.350 0.002 0.000 0.267 565 T C 1.708 176.474 174.700 0.111 0.000 1.046 565 T CA 1.138 63.337 62.100 0.166 0.000 1.139 565 T CB -0.511 68.397 68.868 0.066 0.000 0.871 565 T HN 0.471 nan 8.240 nan 0.000 0.454 566 A N 1.279 124.160 122.820 0.102 0.000 1.902 566 A HA -0.044 4.277 4.320 0.002 0.000 0.217 566 A C 1.999 179.642 177.584 0.098 0.000 1.181 566 A CA 1.461 53.537 52.037 0.065 0.000 0.623 566 A CB -0.954 18.108 19.000 0.103 0.000 0.818 566 A HN 0.513 nan 8.150 nan 0.000 0.443 567 F N -0.245 119.736 119.950 0.052 0.000 2.075 567 F HA -0.149 4.379 4.527 0.002 0.000 0.297 567 F C 1.839 177.394 175.800 -0.409 0.000 1.113 567 F CA 1.690 59.562 58.000 -0.213 0.000 1.218 567 F CB -0.557 38.374 39.000 -0.114 0.000 0.984 567 F HN 0.179 nan 8.300 nan 0.000 0.472 568 F N 1.012 120.687 119.950 -0.458 0.000 2.216 568 F HA -0.100 4.428 4.527 0.002 0.000 0.300 568 F C 2.561 177.994 175.800 -0.612 0.000 1.085 568 F CA 1.855 59.483 58.000 -0.620 0.000 1.326 568 F CB -0.727 38.111 39.000 -0.271 0.000 1.027 568 F HN -0.001 nan 8.300 nan 0.000 0.497 569 K N -0.411 119.768 120.400 -0.368 0.000 2.167 569 K HA -0.071 4.250 4.320 0.002 0.000 0.203 569 K C 1.364 177.506 176.600 -0.765 0.000 1.052 569 K CA 0.969 56.865 56.287 -0.653 0.000 0.956 569 K CB 0.107 32.364 32.500 -0.405 0.000 0.735 569 K HN 0.157 nan 8.250 nan 0.000 0.451 570 L N -0.232 120.699 121.223 -0.487 0.000 2.672 570 L HA 0.280 4.621 4.340 0.002 0.000 0.236 570 L C 1.955 178.684 176.870 -0.235 0.000 1.092 570 L CA 0.700 55.358 54.840 -0.304 0.000 0.887 570 L CB -0.146 41.786 42.059 -0.211 0.000 1.168 570 L HN 0.082 nan 8.230 nan 0.000 0.502 571 A N -0.048 122.395 122.820 -0.628 0.000 2.067 571 A HA 0.216 4.537 4.320 0.002 0.000 0.219 571 A C 1.820 179.211 177.584 -0.322 0.000 1.158 571 A CA 1.107 52.738 52.037 -0.677 0.000 0.661 571 A CB -0.724 17.582 19.000 -1.157 0.000 0.801 571 A HN 0.541 nan 8.150 nan 0.000 0.452 572 G N -1.301 107.307 108.800 -0.320 0.000 2.198 572 G HA2 -0.261 3.700 3.960 0.002 0.000 0.260 572 G HA3 -0.261 3.700 3.960 0.002 0.000 0.260 572 G C 1.014 175.835 174.900 -0.132 0.000 1.025 572 G CA 1.048 46.065 45.100 -0.139 0.000 0.769 572 G HN 1.620 nan 8.290 nan 0.000 0.507 573 V N -3.256 116.496 119.914 -0.271 0.000 2.878 573 V HA 0.641 4.762 4.120 0.002 0.000 0.250 573 V C 1.112 177.124 176.094 -0.138 0.000 1.075 573 V CA 1.243 63.418 62.300 -0.209 0.000 1.096 573 V CB 0.063 31.633 31.823 -0.423 0.000 0.724 573 V HN 0.442 nan 8.190 nan 0.000 0.467 574 L N -0.252 120.883 121.223 -0.146 0.000 2.415 574 L HA 0.596 4.937 4.340 0.002 0.000 0.256 574 L C -2.708 174.168 176.870 0.011 0.000 1.010 574 L CA -1.968 52.844 54.840 -0.047 0.000 0.826 574 L CB 2.637 44.682 42.059 -0.024 0.000 1.405 574 L HN -0.041 nan 8.230 nan 0.000 0.410 575 P HA 0.110 nan 4.420 nan 0.000 0.268 575 P C 0.276 177.697 177.300 0.203 0.000 1.204 575 P CA -0.204 62.996 63.100 0.166 0.000 0.768 575 P CB 0.348 32.104 31.700 0.095 0.000 0.842 576 F N 1.430 121.362 119.950 -0.030 0.000 2.063 576 F HA -0.256 4.272 4.527 0.002 0.000 0.297 576 F C 2.354 178.134 175.800 -0.033 0.000 1.099 576 F CA 1.860 59.844 58.000 -0.027 0.000 1.220 576 F CB -1.128 37.861 39.000 -0.018 0.000 0.972 576 F HN 0.474 nan 8.300 nan 0.000 0.487 577 E N 0.111 120.428 120.200 0.196 0.000 2.033 577 E HA -0.292 4.059 4.350 0.002 0.000 0.199 577 E C 2.363 178.981 176.600 0.029 0.000 1.011 577 E CA 1.879 58.328 56.400 0.082 0.000 0.815 577 E CB -0.188 29.543 29.700 0.051 0.000 0.755 577 E HN 0.328 nan 8.360 nan 0.000 0.451 578 K N -0.171 120.243 120.400 0.024 0.000 2.026 578 K HA -0.177 4.144 4.320 0.002 0.000 0.208 578 K C 2.073 178.638 176.600 -0.058 0.000 1.048 578 K CA 1.193 57.474 56.287 -0.011 0.000 0.929 578 K CB -0.226 32.273 32.500 -0.001 0.000 0.713 578 K HN 0.175 nan 8.250 nan 0.000 0.439 579 A N 0.676 123.458 122.820 -0.062 0.000 1.859 579 A HA -0.182 4.139 4.320 0.002 0.000 0.217 579 A C 2.239 179.647 177.584 -0.293 0.000 1.198 579 A CA 2.221 54.151 52.037 -0.178 0.000 0.629 579 A CB -0.959 18.007 19.000 -0.057 0.000 0.830 579 A HN 0.196 nan 8.150 nan 0.000 0.446 580 V N 0.812 120.630 119.914 -0.161 0.000 2.515 580 V HA -0.237 3.884 4.120 0.002 0.000 0.250 580 V C 2.254 178.274 176.094 -0.123 0.000 1.058 580 V CA 2.389 64.602 62.300 -0.145 0.000 1.064 580 V CB -1.049 30.739 31.823 -0.059 0.000 0.675 580 V HN 0.829 nan 8.190 nan 0.000 0.461 581 D N 0.396 120.743 120.400 -0.089 0.000 2.084 581 D HA -0.191 4.450 4.640 0.002 0.000 0.194 581 D C 1.916 178.167 176.300 -0.081 0.000 0.990 581 D CA 1.396 55.362 54.000 -0.057 0.000 0.826 581 D CB -0.170 40.608 40.800 -0.036 0.000 0.971 581 D HN 0.204 nan 8.370 nan 0.000 0.453 582 L N 0.486 121.633 121.223 -0.127 0.000 2.079 582 L HA -0.063 4.278 4.340 0.002 0.000 0.210 582 L C 2.495 179.251 176.870 -0.191 0.000 1.081 582 L CA 1.200 55.953 54.840 -0.145 0.000 0.752 582 L CB -0.974 40.976 42.059 -0.182 0.000 0.896 582 L HN 0.321 nan 8.230 nan 0.000 0.433 583 L N -0.123 120.915 121.223 -0.308 0.000 1.976 583 L HA -0.291 4.050 4.340 0.002 0.000 0.209 583 L C 2.649 179.429 176.870 -0.150 0.000 1.071 583 L CA 2.030 56.681 54.840 -0.316 0.000 0.746 583 L CB -0.348 41.469 42.059 -0.402 0.000 0.890 583 L HN 0.411 nan 8.230 nan 0.000 0.432 584 K N -0.125 120.200 120.400 -0.125 0.000 2.103 584 K HA -0.209 4.112 4.320 0.002 0.000 0.207 584 K C 1.869 178.452 176.600 -0.029 0.000 1.048 584 K CA 1.567 57.783 56.287 -0.118 0.000 0.930 584 K CB -0.328 32.118 32.500 -0.089 0.000 0.716 584 K HN 0.228 nan 8.250 nan 0.000 0.444 585 K N 0.686 121.121 120.400 0.059 0.000 2.209 585 K HA -0.011 4.310 4.320 0.002 0.000 0.204 585 K C 2.059 178.720 176.600 0.102 0.000 1.048 585 K CA 1.491 57.865 56.287 0.145 0.000 0.940 585 K CB -0.035 32.501 32.500 0.059 0.000 0.729 585 K HN 0.204 nan 8.250 nan 0.000 0.451 586 S N 1.141 116.861 115.700 0.033 0.000 2.414 586 S HA -0.006 4.465 4.470 0.002 0.000 0.227 586 S C 1.953 176.602 174.600 0.082 0.000 1.022 586 S CA 0.666 58.888 58.200 0.036 0.000 0.958 586 S CB -0.076 63.126 63.200 0.003 0.000 0.797 586 S HN 0.163 nan 8.310 nan 0.000 0.493 587 I N 1.058 121.669 120.570 0.069 0.000 2.233 587 I HA -0.168 4.003 4.170 0.002 0.000 0.243 587 I C 2.304 178.509 176.117 0.148 0.000 1.093 587 I CA 1.306 62.693 61.300 0.144 0.000 1.380 587 I CB -0.314 37.639 38.000 -0.080 0.000 1.067 587 I HN 0.289 nan 8.210 nan 0.000 0.413 588 H N 0.238 119.350 119.070 0.071 0.000 2.289 588 H HA -0.255 4.302 4.556 0.002 0.000 0.296 588 H C 2.294 177.658 175.328 0.061 0.000 1.091 588 H CA 2.064 58.139 56.048 0.046 0.000 1.274 588 H CB -0.004 29.765 29.762 0.011 0.000 1.364 588 H HN 0.140 nan 8.280 nan 0.000 0.490 589 K N 0.379 120.890 120.400 0.184 0.000 2.026 589 K HA -0.086 4.235 4.320 0.002 0.000 0.208 589 K C 1.675 178.313 176.600 0.065 0.000 1.048 589 K CA 0.901 57.246 56.287 0.097 0.000 0.929 589 K CB 0.016 32.552 32.500 0.059 0.000 0.713 589 K HN 0.251 nan 8.250 nan 0.000 0.439 590 A N -0.027 122.828 122.820 0.058 0.000 3.720 590 A HA 0.212 4.533 4.320 0.002 0.000 0.157 590 A C -0.570 176.995 177.584 -0.031 0.000 1.736 590 A CA 0.376 52.387 52.037 -0.044 0.000 1.289 590 A CB -0.432 18.476 19.000 -0.152 0.000 1.598 590 A HN 0.365 nan 8.150 nan 0.000 0.692 591 Y N -2.744 117.549 120.300 -0.011 0.000 2.605 591 Y HA -0.106 4.445 4.550 0.001 0.000 0.025 591 Y C 1.413 177.303 175.900 -0.016 0.000 1.812 591 Y CA 0.476 58.567 58.100 -0.015 0.000 1.350 591 Y CB -1.165 37.284 38.460 -0.018 0.000 2.002 591 Y HN 1.090 nan 8.280 nan 0.000 0.268 592 G N 2.759 111.498 108.800 -0.102 0.000 2.863 592 G HA2 -0.352 3.609 3.960 0.002 0.000 0.217 592 G HA3 -0.352 3.609 3.960 0.002 0.000 0.217 592 G C 1.389 176.307 174.900 0.031 0.000 1.315 592 G CA 1.846 46.939 45.100 -0.012 0.000 0.796 592 G HN 0.583 nan 8.290 nan 0.000 0.669 593 K N -1.136 119.309 120.400 0.075 0.000 2.067 593 K HA 0.287 4.608 4.320 0.002 0.000 0.203 593 K C 0.857 177.485 176.600 0.047 0.000 1.048 593 K CA 0.625 56.938 56.287 0.044 0.000 0.954 593 K CB 0.058 32.580 32.500 0.036 0.000 0.737 593 K HN 0.437 nan 8.250 nan 0.000 0.444 594 K N -4.453 115.993 120.400 0.076 0.000 8.247 594 K HA -0.056 4.265 4.320 0.002 0.000 1.057 594 K C -0.199 176.424 176.600 0.039 0.000 2.042 594 K CA 0.251 56.579 56.287 0.068 0.000 1.093 594 K CB -1.270 31.259 32.500 0.049 0.000 2.064 594 K HN 0.426 nan 8.250 nan 0.000 0.348 595 G N 0.601 109.421 108.800 0.034 0.000 2.234 595 G HA2 -0.054 3.907 3.960 0.002 0.000 0.153 595 G HA3 -0.054 3.907 3.960 0.002 0.000 0.153 595 G C 0.162 175.072 174.900 0.017 0.000 1.013 595 G CA 0.990 46.102 45.100 0.020 0.000 0.712 595 G HN 1.039 nan 8.290 nan 0.000 0.491 596 E N -0.604 119.613 120.200 0.028 0.000 3.904 596 E HA -0.304 4.047 4.350 0.002 0.000 0.316 596 E C 1.328 177.933 176.600 0.008 0.000 0.643 596 E CA 3.015 59.433 56.400 0.030 0.000 1.129 596 E CB -1.277 28.438 29.700 0.026 0.000 1.635 596 E HN 0.764 nan 8.360 nan 0.000 0.424 597 K N 0.080 120.477 120.400 -0.005 0.000 2.108 597 K HA 0.185 4.506 4.320 0.002 0.000 0.204 597 K C 2.231 178.805 176.600 -0.043 0.000 1.036 597 K CA 0.811 57.087 56.287 -0.020 0.000 0.965 597 K CB -0.196 32.294 32.500 -0.015 0.000 0.804 597 K HN 0.262 nan 8.250 nan 0.000 0.454 598 I N 1.536 122.080 120.570 -0.043 0.000 2.226 598 I HA -0.255 3.916 4.170 0.002 0.000 0.245 598 I C 2.253 178.281 176.117 -0.150 0.000 1.100 598 I CA 0.861 62.111 61.300 -0.083 0.000 1.374 598 I CB -0.389 37.581 38.000 -0.051 0.000 1.057 598 I HN -0.031 nan 8.210 nan 0.000 0.413 599 V N 1.028 120.880 119.914 -0.104 0.000 2.317 599 V HA -0.319 3.802 4.120 0.002 0.000 0.251 599 V C 2.646 178.637 176.094 -0.173 0.000 1.065 599 V CA 1.825 64.038 62.300 -0.144 0.000 1.049 599 V CB -0.772 31.044 31.823 -0.012 0.000 0.651 599 V HN 0.385 nan 8.190 nan 0.000 0.450 600 K N -0.519 119.821 120.400 -0.100 0.000 2.097 600 K HA -0.078 4.243 4.320 0.002 0.000 0.206 600 K C 2.115 178.648 176.600 -0.111 0.000 1.049 600 K CA 1.591 57.826 56.287 -0.086 0.000 0.933 600 K CB -0.363 32.111 32.500 -0.044 0.000 0.717 600 K HN 0.469 nan 8.250 nan 0.000 0.442 601 M N 0.174 119.699 119.600 -0.124 0.000 2.159 601 M HA -0.197 4.284 4.480 0.002 0.000 0.263 601 M C 1.556 177.757 176.300 -0.164 0.000 1.063 601 M CA 1.602 56.826 55.300 -0.126 0.000 1.110 601 M CB -0.534 31.993 32.600 -0.123 0.000 1.374 601 M HN 0.102 nan 8.290 nan 0.000 0.411 602 N N 0.084 118.636 118.700 -0.247 0.000 2.106 602 N HA -0.094 4.647 4.740 0.002 0.000 0.188 602 N C 1.501 176.885 175.510 -0.211 0.000 1.029 602 N CA 1.777 54.651 53.050 -0.295 0.000 0.848 602 N CB -0.434 37.738 38.487 -0.525 0.000 1.007 602 N HN 0.244 nan 8.380 nan 0.000 0.423 603 T N 0.417 114.847 114.554 -0.207 0.000 3.025 603 T HA -0.059 4.292 4.350 0.002 0.000 0.270 603 T C 0.605 175.241 174.700 -0.106 0.000 1.126 603 T CA 0.927 62.928 62.100 -0.165 0.000 1.105 603 T CB -0.125 68.644 68.868 -0.164 0.000 0.884 603 T HN 0.207 nan 8.240 nan 0.000 0.522 604 D N 1.189 121.527 120.400 -0.102 0.000 2.201 604 D HA 0.174 4.815 4.640 0.002 0.000 0.209 604 D C 2.423 178.683 176.300 -0.066 0.000 0.961 604 D CA 0.913 54.870 54.000 -0.072 0.000 0.861 604 D CB -0.441 40.320 40.800 -0.065 0.000 0.997 604 D HN 0.374 nan 8.370 nan 0.000 0.486 605 A N 0.855 123.626 122.820 -0.082 0.000 1.902 605 A HA -0.139 4.182 4.320 0.002 0.000 0.217 605 A C 2.476 180.028 177.584 -0.053 0.000 1.181 605 A CA 1.264 53.260 52.037 -0.068 0.000 0.623 605 A CB -0.775 18.177 19.000 -0.081 0.000 0.818 605 A HN 0.127 nan 8.150 nan 0.000 0.443 606 V N 0.633 120.510 119.914 -0.062 0.000 2.261 606 V HA -0.245 3.876 4.120 0.002 0.000 0.246 606 V C 2.158 178.233 176.094 -0.032 0.000 1.047 606 V CA 2.322 64.596 62.300 -0.044 0.000 1.015 606 V CB -0.770 31.015 31.823 -0.062 0.000 0.642 606 V HN 0.510 nan 8.190 nan 0.000 0.446 607 D N -0.799 119.577 120.400 -0.038 0.000 2.178 607 D HA -0.184 4.457 4.640 0.002 0.000 0.202 607 D C 2.168 178.458 176.300 -0.016 0.000 0.974 607 D CA 1.236 55.221 54.000 -0.024 0.000 0.841 607 D CB -0.047 40.737 40.800 -0.027 0.000 0.953 607 D HN 0.544 nan 8.370 nan 0.000 0.478 608 Q N -0.024 119.763 119.800 -0.023 0.000 2.269 608 Q HA 0.037 4.378 4.340 0.002 0.000 0.201 608 Q C 1.938 177.930 176.000 -0.012 0.000 0.946 608 Q CA 0.780 56.572 55.803 -0.017 0.000 0.877 608 Q CB 0.178 28.901 28.738 -0.024 0.000 0.963 608 Q HN 0.155 nan 8.270 nan 0.000 0.472 609 A N -0.215 122.596 122.820 -0.015 0.000 1.897 609 A HA -0.091 4.230 4.320 0.002 0.000 0.215 609 A C 2.088 179.672 177.584 0.000 0.000 1.181 609 A CA 1.304 53.335 52.037 -0.011 0.000 0.620 609 A CB -0.547 18.445 19.000 -0.013 0.000 0.821 609 A HN 0.271 nan 8.150 nan 0.000 0.443 610 V N 0.720 120.636 119.914 0.003 0.000 2.515 610 V HA -0.195 3.926 4.120 0.002 0.000 0.250 610 V C 2.573 178.686 176.094 0.031 0.000 1.058 610 V CA 2.209 64.519 62.300 0.017 0.000 1.064 610 V CB -1.460 30.377 31.823 0.023 0.000 0.675 610 V HN 0.706 nan 8.190 nan 0.000 0.461 611 T N -1.725 112.841 114.554 0.020 0.000 3.035 611 T HA -0.065 4.286 4.350 0.002 0.000 0.268 611 T C 1.727 176.443 174.700 0.026 0.000 1.109 611 T CA 1.219 63.333 62.100 0.023 0.000 1.119 611 T CB -0.099 68.776 68.868 0.011 0.000 0.900 611 T HN 0.448 nan 8.240 nan 0.000 0.503 612 S N 0.578 116.292 115.700 0.023 0.000 2.556 612 S HA 0.307 4.778 4.470 0.002 0.000 0.216 612 S C 0.160 174.789 174.600 0.049 0.000 0.970 612 S CA -0.223 57.992 58.200 0.025 0.000 0.912 612 S CB 0.074 63.278 63.200 0.006 0.000 0.790 612 S HN 0.223 nan 8.310 nan 0.000 0.504 613 L N 4.218 125.482 121.223 0.068 0.000 2.288 613 L HA 0.460 4.801 4.340 0.002 0.000 0.283 613 L C -0.277 176.735 176.870 0.236 0.000 1.072 613 L CA 0.228 55.145 54.840 0.129 0.000 0.862 613 L CB 0.007 42.084 42.059 0.030 0.000 1.245 613 L HN 0.256 nan 8.230 nan 0.000 0.432 614 Q N 2.251 122.197 119.800 0.244 0.000 2.347 614 Q HA 0.433 4.774 4.340 0.002 0.000 0.271 614 Q C -0.463 175.564 176.000 0.046 0.000 1.064 614 Q CA -0.740 55.166 55.803 0.172 0.000 0.800 614 Q CB 2.211 30.986 28.738 0.063 0.000 1.304 614 Q HN 0.406 nan 8.270 nan 0.000 0.438 615 E N 1.202 121.282 120.200 -0.200 0.000 2.467 615 E HA 0.006 4.357 4.350 0.002 0.000 0.264 615 E C -0.916 175.581 176.600 -0.173 0.000 1.020 615 E CA 0.218 56.321 56.400 -0.494 0.000 0.945 615 E CB 0.494 29.953 29.700 -0.401 0.000 0.942 615 E HN 0.382 nan 8.360 nan 0.000 0.449 616 F N 2.519 122.299 119.950 -0.283 0.000 2.427 616 F HA 0.142 4.670 4.527 0.002 0.000 0.352 616 F C 0.205 175.979 175.800 -0.043 0.000 1.100 616 F CA -0.483 57.435 58.000 -0.136 0.000 1.191 616 F CB 0.617 39.492 39.000 -0.209 0.000 1.128 616 F HN 0.117 nan 8.300 nan 0.000 0.533 617 K N 7.392 127.598 120.400 -0.324 0.000 2.180 617 K HA 0.126 4.447 4.320 0.002 0.000 0.250 617 K C -1.280 175.125 176.600 -0.325 0.000 1.135 617 K CA -0.191 55.900 56.287 -0.328 0.000 1.037 617 K CB -0.674 31.629 32.500 -0.328 0.000 1.624 617 K HN 0.477 nan 8.250 nan 0.000 0.382 618 Y N 0.766 120.963 120.300 -0.171 0.000 2.336 618 Y HA 0.495 5.046 4.550 0.002 0.000 0.331 618 Y C -1.998 173.585 175.900 -0.529 0.000 1.211 618 Y CA -3.046 54.712 58.100 -0.570 0.000 1.346 618 Y CB -0.230 37.666 38.460 -0.939 0.000 1.271 618 Y HN 0.324 nan 8.280 nan 0.000 0.538 619 P HA 0.078 nan 4.420 nan 0.000 0.278 619 P C -0.438 176.836 177.300 -0.043 0.000 1.238 619 P CA -0.203 62.763 63.100 -0.223 0.000 0.794 619 P CB 1.584 33.210 31.700 -0.124 0.000 0.955 620 D N 1.085 121.492 120.400 0.011 0.000 2.263 620 D HA -0.158 4.483 4.640 0.002 0.000 0.208 620 D C 1.711 178.098 176.300 0.146 0.000 0.971 620 D CA 1.494 55.546 54.000 0.087 0.000 0.867 620 D CB 0.049 40.872 40.800 0.037 0.000 0.929 620 D HN 0.327 nan 8.370 nan 0.000 0.492 621 S N -1.087 114.704 115.700 0.152 0.000 2.507 621 S HA -0.134 4.337 4.470 0.002 0.000 0.235 621 S C 1.559 176.346 174.600 0.311 0.000 0.988 621 S CA -0.014 58.301 58.200 0.191 0.000 0.944 621 S CB -0.621 62.684 63.200 0.175 0.000 0.762 621 S HN 0.356 nan 8.310 nan 0.000 0.526 622 W N 2.534 123.890 121.300 0.093 0.000 2.468 622 W HA 0.212 4.873 4.660 0.002 0.000 0.262 622 W C 2.113 178.641 176.519 0.015 0.000 1.241 622 W CA -0.207 57.171 57.345 0.055 0.000 1.232 622 W CB -0.464 29.037 29.460 0.069 0.000 1.124 622 W HN 0.371 nan 8.180 nan 0.000 0.597 623 K N -0.182 120.365 120.400 0.244 0.000 2.097 623 K HA -0.132 4.189 4.320 0.002 0.000 0.206 623 K C 0.321 176.967 176.600 0.076 0.000 1.049 623 K CA 1.571 57.938 56.287 0.133 0.000 0.933 623 K CB -0.243 32.326 32.500 0.115 0.000 0.717 623 K HN 0.127 nan 8.250 nan 0.000 0.442 624 D N -0.053 120.397 120.400 0.082 0.000 3.010 624 D HA 0.169 4.810 4.640 0.002 0.000 0.347 624 D C -0.875 175.446 176.300 0.034 0.000 1.340 624 D CA -0.194 53.832 54.000 0.044 0.000 0.858 624 D CB 0.759 41.585 40.800 0.043 0.000 1.111 624 D HN 0.017 nan 8.370 nan 0.000 0.482 625 A N 2.490 125.316 122.820 0.009 0.000 2.363 625 A HA 0.487 4.808 4.320 0.002 0.000 0.270 625 A C -2.147 175.398 177.584 -0.065 0.000 1.121 625 A CA -0.999 51.013 52.037 -0.041 0.000 0.800 625 A CB 0.480 19.391 19.000 -0.150 0.000 1.052 625 A HN 0.120 nan 8.150 nan 0.000 0.493 626 P HA 0.430 nan 4.420 nan 0.000 0.281 626 P C 0.163 177.411 177.300 -0.086 0.000 1.249 626 P CA -0.060 63.003 63.100 -0.060 0.000 0.810 626 P CB 1.557 33.233 31.700 -0.041 0.000 1.008 627 A N 2.086 124.859 122.820 -0.078 0.000 2.523 627 A HA 0.254 4.575 4.320 0.002 0.000 0.251 627 A C 0.327 177.860 177.584 -0.085 0.000 1.706 627 A CA 0.141 52.125 52.037 -0.088 0.000 0.847 627 A CB -0.267 18.688 19.000 -0.075 0.000 1.571 627 A HN 0.691 nan 8.150 nan 0.000 0.625 628 E N -1.648 118.505 120.200 -0.079 0.000 2.340 628 E HA 0.433 4.784 4.350 0.002 0.000 0.273 628 E C -1.441 175.123 176.600 -0.060 0.000 0.891 628 E CA -0.534 55.821 56.400 -0.075 0.000 0.757 628 E CB 1.824 31.471 29.700 -0.088 0.000 1.231 628 E HN 0.493 nan 8.360 nan 0.000 0.439 629 T N 3.030 117.552 114.554 -0.054 0.000 2.856 629 T HA 0.172 4.523 4.350 0.002 0.000 0.292 629 T C 0.072 174.746 174.700 -0.042 0.000 0.980 629 T CA -0.329 61.745 62.100 -0.043 0.000 1.091 629 T CB 0.787 69.632 68.868 -0.038 0.000 0.936 629 T HN 0.306 nan 8.240 nan 0.000 0.503 630 K N 1.865 122.243 120.400 -0.037 0.000 2.447 630 K HA 0.329 4.650 4.320 0.002 0.000 0.281 630 K C -0.110 176.473 176.600 -0.028 0.000 1.031 630 K CA -0.125 56.142 56.287 -0.033 0.000 1.019 630 K CB 0.206 32.689 32.500 -0.029 0.000 0.918 630 K HN 0.715 nan 8.250 nan 0.000 0.476 631 A N 4.856 127.660 122.820 -0.027 0.000 3.355 631 A HA 0.169 4.490 4.320 0.002 0.000 0.290 631 A C -0.878 176.697 177.584 -0.015 0.000 0.973 631 A CA -0.694 51.330 52.037 -0.021 0.000 0.933 631 A CB 0.056 19.040 19.000 -0.026 0.000 1.138 631 A HN 0.822 nan 8.150 nan 0.000 0.490 632 E N 0.907 121.100 120.200 -0.011 0.000 2.299 632 E HA 0.806 5.157 4.350 0.002 0.000 0.265 632 E C -2.550 174.050 176.600 -0.000 0.000 0.911 632 E CA -1.724 54.675 56.400 -0.002 0.000 0.789 632 E CB 1.314 31.015 29.700 0.002 0.000 1.246 632 E HN 0.220 nan 8.360 nan 0.000 0.427 633 P HA 0.163 nan 4.420 nan 0.000 0.276 633 P C -0.515 176.781 177.300 -0.007 0.000 1.252 633 P CA -0.638 62.468 63.100 0.010 0.000 0.802 633 P CB 0.586 32.303 31.700 0.028 0.000 1.035 634 M N 0.550 120.147 119.600 -0.005 0.000 2.243 634 M HA 0.193 4.674 4.480 0.002 0.000 0.341 634 M C 0.228 176.446 176.300 -0.136 0.000 1.130 634 M CA 0.684 55.959 55.300 -0.043 0.000 1.162 634 M CB 0.678 33.270 32.600 -0.014 0.000 1.497 634 M HN 0.483 nan 8.290 nan 0.000 0.456 635 T N 2.334 116.723 114.554 -0.276 0.000 2.742 635 T HA 0.419 4.770 4.350 0.002 0.000 0.282 635 T C -0.127 174.251 174.700 -0.536 0.000 1.025 635 T CA -0.707 60.954 62.100 -0.732 0.000 1.020 635 T CB 1.446 70.089 68.868 -0.375 0.000 1.317 635 T HN 0.563 nan 8.240 nan 0.000 0.538 636 N N 1.099 119.421 118.700 -0.630 0.000 2.408 636 N HA 0.175 4.916 4.740 0.002 0.000 0.260 636 N C 1.055 176.550 175.510 -0.024 0.000 1.242 636 N CA -0.056 52.912 53.050 -0.137 0.000 0.959 636 N CB 1.085 39.638 38.487 0.110 0.000 1.201 636 N HN 0.717 nan 8.380 nan 0.000 0.511 637 E N 0.248 120.475 120.200 0.046 0.000 2.072 637 E HA -0.142 4.209 4.350 0.002 0.000 0.190 637 E C 1.454 178.101 176.600 0.077 0.000 0.982 637 E CA 0.773 57.197 56.400 0.040 0.000 0.803 637 E CB -0.038 29.690 29.700 0.047 0.000 0.755 637 E HN 0.544 nan 8.360 nan 0.000 0.453 638 F N 0.012 119.958 119.950 -0.007 0.000 2.234 638 F HA -0.128 4.400 4.527 0.002 0.000 0.299 638 F C 1.783 177.587 175.800 0.007 0.000 1.087 638 F CA 1.055 59.049 58.000 -0.011 0.000 1.340 638 F CB -0.149 38.864 39.000 0.021 0.000 1.031 638 F HN 0.081 nan 8.300 nan 0.000 0.500 639 F N 1.040 121.040 119.950 0.084 0.000 2.146 639 F HA -0.092 4.436 4.527 0.002 0.000 0.298 639 F C 2.351 178.083 175.800 -0.115 0.000 1.096 639 F CA 1.811 59.813 58.000 0.003 0.000 1.275 639 F CB -0.485 38.464 39.000 -0.085 0.000 1.008 639 F HN -0.157 nan 8.300 nan 0.000 0.480 640 K N 0.080 120.428 120.400 -0.086 0.000 2.148 640 K HA -0.108 4.213 4.320 0.002 0.000 0.204 640 K C 1.632 178.105 176.600 -0.212 0.000 1.050 640 K CA 1.622 57.831 56.287 -0.129 0.000 0.942 640 K CB -0.063 32.405 32.500 -0.054 0.000 0.724 640 K HN 0.194 nan 8.250 nan 0.000 0.446 641 N N -1.098 117.456 118.700 -0.243 0.000 2.432 641 N HA -0.001 4.740 4.740 0.002 0.000 0.174 641 N C 1.206 176.479 175.510 -0.394 0.000 1.037 641 N CA 0.794 53.682 53.050 -0.270 0.000 0.892 641 N CB 0.728 39.089 38.487 -0.210 0.000 1.049 641 N HN -0.009 nan 8.380 nan 0.000 0.442 642 V N -0.105 119.436 119.914 -0.622 0.000 2.996 642 V HA 0.077 4.198 4.120 0.002 0.000 0.235 642 V C 2.085 177.869 176.094 -0.517 0.000 1.205 642 V CA 0.435 62.317 62.300 -0.696 0.000 1.225 642 V CB 0.041 31.141 31.823 -1.205 0.000 0.995 642 V HN 0.060 nan 8.190 nan 0.000 0.484 643 V N 0.709 120.266 119.914 -0.595 0.000 2.453 643 V HA -0.163 3.958 4.120 0.002 0.000 0.247 643 V C 2.369 178.173 176.094 -0.485 0.000 1.048 643 V CA 2.812 64.895 62.300 -0.360 0.000 1.049 643 V CB -0.261 31.535 31.823 -0.045 0.000 0.672 643 V HN 0.553 nan 8.190 nan 0.000 0.457 644 K N 1.201 121.118 120.400 -0.806 0.000 2.026 644 K HA -0.010 4.311 4.320 0.002 0.000 0.208 644 K C 0.032 176.484 176.600 -0.245 0.000 1.048 644 K CA 2.180 58.108 56.287 -0.599 0.000 0.929 644 K CB -1.527 30.615 32.500 -0.597 0.000 0.713 644 K HN 0.435 nan 8.250 nan 0.000 0.439 645 P HA -0.141 nan 4.420 nan 0.000 0.216 645 P C 1.008 178.285 177.300 -0.039 0.000 1.150 645 P CA 1.375 64.411 63.100 -0.106 0.000 0.843 645 P CB 0.031 31.658 31.700 -0.122 0.000 0.787 646 I N -1.582 118.963 120.570 -0.042 0.000 2.202 646 I HA -0.210 3.961 4.170 0.002 0.000 0.242 646 I C 2.202 178.354 176.117 0.058 0.000 1.091 646 I CA 1.243 62.561 61.300 0.030 0.000 1.368 646 I CB -0.595 37.444 38.000 0.065 0.000 1.058 646 I HN -0.110 nan 8.210 nan 0.000 0.410 647 L N 0.291 121.540 121.223 0.043 0.000 2.127 647 L HA -0.188 4.152 4.340 0.002 0.000 0.211 647 L C 2.316 179.311 176.870 0.209 0.000 1.089 647 L CA 1.798 56.708 54.840 0.117 0.000 0.757 647 L CB -0.905 41.215 42.059 0.101 0.000 0.899 647 L HN 0.432 nan 8.230 nan 0.000 0.434 648 T N -3.803 110.842 114.554 0.152 0.000 3.272 648 T HA 0.044 4.395 4.350 0.002 0.000 0.250 648 T C 0.649 175.536 174.700 0.313 0.000 1.082 648 T CA -0.313 61.938 62.100 0.253 0.000 0.968 648 T CB 0.182 69.094 68.868 0.074 0.000 1.015 648 T HN 0.325 nan 8.240 nan 0.000 0.563 649 Q N -0.021 119.903 119.800 0.206 0.000 2.503 649 Q HA -0.149 4.192 4.340 0.002 0.000 0.267 649 Q C 0.147 176.202 176.000 0.091 0.000 1.030 649 Q CA 0.830 56.704 55.803 0.117 0.000 1.041 649 Q CB -2.213 26.594 28.738 0.116 0.000 1.406 649 Q HN 0.644 nan 8.270 nan 0.000 0.524 650 Q N -1.669 118.174 119.800 0.073 0.000 2.135 650 Q HA 0.253 4.594 4.340 0.002 0.000 0.222 650 Q C 1.598 177.621 176.000 0.038 0.000 0.808 650 Q CA 0.682 56.514 55.803 0.048 0.000 1.049 650 Q CB 0.839 29.597 28.738 0.033 0.000 1.168 650 Q HN 0.437 nan 8.270 nan 0.000 0.483 651 G N 1.169 109.998 108.800 0.049 0.000 2.479 651 G HA2 -0.243 3.718 3.960 0.002 0.000 0.220 651 G HA3 -0.243 3.718 3.960 0.002 0.000 0.220 651 G C 0.736 175.694 174.900 0.096 0.000 1.115 651 G CA 0.812 45.959 45.100 0.079 0.000 0.757 651 G HN 0.295 nan 8.290 nan 0.000 0.560 652 D N -0.034 120.401 120.400 0.058 0.000 2.348 652 D HA 0.038 4.679 4.640 0.002 0.000 0.216 652 D C 2.257 178.594 176.300 0.062 0.000 0.970 652 D CA 0.535 54.568 54.000 0.055 0.000 0.889 652 D CB 0.130 40.947 40.800 0.028 0.000 0.912 652 D HN 0.270 nan 8.370 nan 0.000 0.524 653 K N -0.077 120.353 120.400 0.050 0.000 2.459 653 K HA 0.030 4.351 4.320 0.002 0.000 0.193 653 K C -0.066 176.555 176.600 0.036 0.000 1.030 653 K CA -0.050 56.257 56.287 0.033 0.000 1.026 653 K CB 0.332 32.840 32.500 0.013 0.000 0.809 653 K HN 0.096 nan 8.250 nan 0.000 0.504 654 L N 3.272 124.538 121.223 0.072 0.000 2.361 654 L HA 0.112 4.453 4.340 0.002 0.000 0.278 654 L C -1.766 175.192 176.870 0.146 0.000 1.113 654 L CA -2.062 52.819 54.840 0.068 0.000 0.849 654 L CB 0.193 42.331 42.059 0.131 0.000 1.155 654 L HN 0.011 nan 8.230 nan 0.000 0.452 655 P HA 0.069 nan 4.420 nan 0.000 0.279 655 P C 0.982 178.388 177.300 0.176 0.000 1.282 655 P CA -0.352 62.803 63.100 0.091 0.000 0.788 655 P CB 0.936 32.651 31.700 0.025 0.000 1.139 656 V N -0.981 119.024 119.914 0.151 0.000 2.667 656 V HA -0.139 3.982 4.120 0.002 0.000 0.252 656 V C 2.100 178.298 176.094 0.174 0.000 1.065 656 V CA 2.341 64.769 62.300 0.214 0.000 1.083 656 V CB -1.750 30.146 31.823 0.120 0.000 0.692 656 V HN 0.658 nan 8.190 nan 0.000 0.468 657 S N 0.902 116.636 115.700 0.057 0.000 2.507 657 S HA 0.129 4.600 4.470 0.002 0.000 0.235 657 S C 1.929 176.472 174.600 -0.095 0.000 0.988 657 S CA 1.030 59.229 58.200 -0.003 0.000 0.944 657 S CB -0.500 62.688 63.200 -0.020 0.000 0.762 657 S HN 1.107 nan 8.310 nan 0.000 0.526 658 A N 0.267 122.937 122.820 -0.250 0.000 2.119 658 A HA 0.416 4.737 4.320 0.002 0.000 0.216 658 A C 0.394 177.531 177.584 -0.745 0.000 1.152 658 A CA 0.138 51.827 52.037 -0.580 0.000 0.708 658 A CB -0.369 18.124 19.000 -0.845 0.000 0.805 658 A HN 0.510 nan 8.150 nan 0.000 0.460 659 F N -0.322 119.625 119.950 -0.004 0.000 2.541 659 F HA 0.467 4.995 4.527 0.002 0.000 0.331 659 F C 0.519 176.318 175.800 -0.001 0.000 1.057 659 F CA -1.174 56.827 58.000 0.002 0.000 0.975 659 F CB 0.778 39.805 39.000 0.044 0.000 1.246 659 F HN -0.066 nan 8.300 nan 0.000 0.484 660 E N 0.299 120.610 120.200 0.185 0.000 2.343 660 E HA 0.293 4.644 4.350 0.002 0.000 0.269 660 E C 0.579 177.254 176.600 0.125 0.000 1.047 660 E CA -0.034 56.432 56.400 0.110 0.000 0.874 660 E CB 1.629 31.376 29.700 0.078 0.000 1.033 660 E HN 0.754 nan 8.360 nan 0.000 0.409 661 A N 2.918 125.786 122.820 0.080 0.000 1.969 661 A HA -0.194 4.127 4.320 0.002 0.000 0.218 661 A C 1.324 178.953 177.584 0.074 0.000 1.169 661 A CA 1.851 53.922 52.037 0.057 0.000 0.635 661 A CB -0.253 18.770 19.000 0.038 0.000 0.810 661 A HN 0.594 nan 8.150 nan 0.000 0.445 662 D N -2.478 117.983 120.400 0.102 0.000 2.340 662 D HA 0.280 4.921 4.640 0.002 0.000 0.220 662 D C 1.169 177.589 176.300 0.199 0.000 1.039 662 D CA 0.884 54.962 54.000 0.130 0.000 0.866 662 D CB -0.518 40.347 40.800 0.108 0.000 0.913 662 D HN 0.764 nan 8.370 nan 0.000 0.523 663 G N 1.163 110.107 108.800 0.239 0.000 2.157 663 G HA2 -0.343 3.618 3.960 0.002 0.000 0.248 663 G HA3 -0.343 3.618 3.960 0.002 0.000 0.248 663 G C 0.355 175.487 174.900 0.387 0.000 0.979 663 G CA 0.119 45.440 45.100 0.368 0.000 0.650 663 G HN 0.761 nan 8.290 nan 0.000 0.529 664 R N -1.077 119.586 120.500 0.271 0.000 2.738 664 R HA 0.655 4.996 4.340 0.002 0.000 0.268 664 R C -0.669 175.815 176.300 0.307 0.000 1.062 664 R CA -0.051 56.211 56.100 0.269 0.000 1.158 664 R CB 0.429 30.818 30.300 0.149 0.000 1.046 664 R HN 0.118 nan 8.270 nan 0.000 0.493 665 F N 0.352 120.349 119.950 0.078 0.000 2.588 665 F HA 0.497 5.026 4.527 0.002 0.000 0.314 665 F C -1.926 173.825 175.800 -0.082 0.000 1.069 665 F CA -2.462 55.550 58.000 0.021 0.000 0.931 665 F CB 1.992 41.060 39.000 0.114 0.000 1.260 665 F HN 0.591 nan 8.300 nan 0.000 0.465 666 P HA 0.358 nan 4.420 nan 0.000 0.281 666 P C -0.937 176.381 177.300 0.029 0.000 1.249 666 P CA -0.386 62.637 63.100 -0.127 0.000 0.810 666 P CB 1.294 32.782 31.700 -0.352 0.000 1.008 667 L N 0.957 122.203 121.223 0.038 0.000 2.472 667 L HA 0.359 4.700 4.340 0.002 0.000 0.260 667 L C 1.790 178.711 176.870 0.085 0.000 1.209 667 L CA 1.710 56.594 54.840 0.074 0.000 0.817 667 L CB -0.570 41.526 42.059 0.060 0.000 1.106 667 L HN 0.870 nan 8.230 nan 0.000 0.479 668 G N -0.460 108.391 108.800 0.085 0.000 2.148 668 G HA2 -0.347 3.614 3.960 0.002 0.000 0.254 668 G HA3 -0.347 3.614 3.960 0.002 0.000 0.254 668 G C 0.919 175.890 174.900 0.118 0.000 0.981 668 G CA 0.875 46.010 45.100 0.059 0.000 0.670 668 G HN 0.850 nan 8.290 nan 0.000 0.528 669 T N -1.237 113.469 114.554 0.253 0.000 2.962 669 T HA 0.002 4.353 4.350 0.002 0.000 0.270 669 T C 2.596 177.505 174.700 0.348 0.000 1.088 669 T CA 2.018 64.387 62.100 0.447 0.000 1.127 669 T CB -0.422 68.805 68.868 0.598 0.000 0.883 669 T HN 1.377 nan 8.240 nan 0.000 0.493 670 S N 1.129 116.953 115.700 0.207 0.000 2.474 670 S HA -0.088 4.383 4.470 0.002 0.000 0.235 670 S C 2.000 176.683 174.600 0.138 0.000 0.997 670 S CA 0.169 58.490 58.200 0.202 0.000 0.949 670 S CB -0.541 62.780 63.200 0.201 0.000 0.766 670 S HN 0.423 nan 8.310 nan 0.000 0.517 671 Q N 0.174 119.918 119.800 -0.093 0.000 2.368 671 Q HA -0.013 4.328 4.340 0.002 0.000 0.210 671 Q C 0.652 176.252 176.000 -0.668 0.000 0.982 671 Q CA 1.102 56.711 55.803 -0.325 0.000 0.884 671 Q CB -0.413 27.884 28.738 -0.733 0.000 0.933 671 Q HN 0.804 nan 8.270 nan 0.000 0.460 672 F N -0.586 119.237 119.950 -0.213 0.000 2.706 672 F HA 0.195 4.723 4.527 0.002 0.000 0.308 672 F C 1.840 177.394 175.800 -0.410 0.000 1.095 672 F CA -0.376 57.323 58.000 -0.502 0.000 1.244 672 F CB 0.197 38.476 39.000 -1.203 0.000 1.063 672 F HN -0.005 nan 8.300 nan 0.000 0.582 673 E N 0.822 121.003 120.200 -0.033 0.000 2.058 673 E HA -0.165 4.186 4.350 0.002 0.000 0.194 673 E C 0.388 177.007 176.600 0.032 0.000 0.997 673 E CA 0.808 57.279 56.400 0.118 0.000 0.801 673 E CB -0.125 29.691 29.700 0.193 0.000 0.746 673 E HN -0.016 nan 8.360 nan 0.000 0.450 674 K N 0.698 121.045 120.400 -0.088 0.000 3.602 674 K HA -0.263 4.058 4.320 0.002 0.000 0.274 674 K C 0.564 177.141 176.600 -0.037 0.000 0.864 674 K CA 0.649 56.863 56.287 -0.121 0.000 0.682 674 K CB -1.236 31.200 32.500 -0.107 0.000 1.576 674 K HN 0.327 nan 8.250 nan 0.000 0.447 675 R N 0.068 120.564 120.500 -0.007 0.000 2.096 675 R HA -0.092 4.249 4.340 0.002 0.000 0.235 675 R C 1.405 177.722 176.300 0.029 0.000 1.127 675 R CA 0.966 57.091 56.100 0.042 0.000 0.968 675 R CB -0.038 30.305 30.300 0.073 0.000 0.861 675 R HN 0.612 nan 8.270 nan 0.000 0.440 676 G N 0.841 109.634 108.800 -0.012 0.000 2.314 676 G HA2 -0.218 3.743 3.960 0.002 0.000 0.292 676 G HA3 -0.218 3.743 3.960 0.002 0.000 0.292 676 G C 0.512 175.422 174.900 0.017 0.000 1.059 676 G CA 0.354 45.450 45.100 -0.008 0.000 0.982 676 G HN 0.325 nan 8.290 nan 0.000 0.505 677 V N -3.161 116.760 119.914 0.011 0.000 3.647 677 V HA 0.696 4.817 4.120 0.002 0.000 0.279 677 V C 1.536 177.634 176.094 0.007 0.000 1.314 677 V CA 0.622 62.940 62.300 0.030 0.000 1.125 677 V CB -0.225 31.628 31.823 0.050 0.000 0.907 677 V HN 1.591 nan 8.190 nan 0.000 0.434 678 A N 0.744 123.555 122.820 -0.015 0.000 2.425 678 A HA 0.577 4.897 4.320 0.002 0.000 0.249 678 A C 1.143 178.725 177.584 -0.002 0.000 1.084 678 A CA -0.241 51.784 52.037 -0.020 0.000 0.781 678 A CB 0.297 19.276 19.000 -0.035 0.000 1.019 678 A HN 0.177 nan 8.150 nan 0.000 0.490 679 I N 0.790 121.360 120.570 0.000 0.000 2.296 679 I HA 0.007 4.178 4.170 0.002 0.000 0.242 679 I C 0.320 176.441 176.117 0.007 0.000 1.087 679 I CA 0.950 62.254 61.300 0.006 0.000 1.393 679 I CB -1.195 36.809 38.000 0.005 0.000 1.093 679 I HN 0.527 nan 8.210 nan 0.000 0.421 680 N N 1.051 119.754 118.700 0.004 0.000 2.284 680 N HA 0.480 5.221 4.740 0.002 0.000 0.300 680 N C -0.638 174.875 175.510 0.005 0.000 1.047 680 N CA -0.254 52.801 53.050 0.008 0.000 0.821 680 N CB 3.130 41.623 38.487 0.010 0.000 1.337 680 N HN -0.053 nan 8.380 nan 0.000 0.482 681 V N -0.744 119.176 119.914 0.010 0.000 2.914 681 V HA 0.769 4.890 4.120 0.002 0.000 0.314 681 V C -2.571 173.537 176.094 0.023 0.000 1.084 681 V CA -2.302 60.004 62.300 0.009 0.000 0.963 681 V CB 2.523 34.349 31.823 0.004 0.000 1.025 681 V HN 0.457 nan 8.190 nan 0.000 0.432 682 P HA 0.219 nan 4.420 nan 0.000 0.272 682 P C -1.302 176.037 177.300 0.065 0.000 1.230 682 P CA -0.089 63.040 63.100 0.049 0.000 0.788 682 P CB 0.932 32.665 31.700 0.055 0.000 0.949 683 Q N 1.552 121.404 119.800 0.088 0.000 2.310 683 Q HA 0.254 4.595 4.340 0.002 0.000 0.270 683 Q C -1.518 174.591 176.000 0.182 0.000 1.025 683 Q CA -0.791 55.080 55.803 0.112 0.000 0.772 683 Q CB 1.154 29.938 28.738 0.075 0.000 1.253 683 Q HN 0.391 nan 8.270 nan 0.000 0.450 684 W N 4.457 125.755 121.300 -0.002 0.000 2.190 684 W HA 0.360 5.021 4.660 0.002 0.000 0.330 684 W C -1.060 175.460 176.519 0.003 0.000 1.299 684 W CA -0.203 57.143 57.345 0.002 0.000 1.215 684 W CB 0.909 30.363 29.460 -0.010 0.000 1.147 684 W HN 0.387 nan 8.180 nan 0.000 0.563 685 V N 9.729 129.473 119.914 -0.283 0.000 2.320 685 V HA 0.108 4.229 4.120 0.002 0.000 0.268 685 V C -1.498 174.129 176.094 -0.778 0.000 1.021 685 V CA -1.360 60.717 62.300 -0.372 0.000 0.813 685 V CB 1.037 32.753 31.823 -0.178 0.000 1.054 685 V HN 0.483 nan 8.190 nan 0.000 0.444 686 P HA -0.224 nan 4.420 nan 0.000 0.218 686 P C 1.268 178.202 177.300 -0.609 0.000 1.152 686 P CA 1.479 63.733 63.100 -1.410 0.000 0.857 686 P CB 0.363 31.461 31.700 -1.003 0.000 0.787 687 E N -0.850 119.122 120.200 -0.380 0.000 2.204 687 E HA -0.155 4.196 4.350 0.002 0.000 0.195 687 E C 1.231 177.734 176.600 -0.162 0.000 0.990 687 E CA 1.255 57.530 56.400 -0.208 0.000 0.821 687 E CB -0.910 28.702 29.700 -0.147 0.000 0.750 687 E HN 0.505 nan 8.360 nan 0.000 0.477 688 N N -0.683 117.905 118.700 -0.187 0.000 2.254 688 N HA 0.076 4.817 4.740 0.002 0.000 0.190 688 N C -0.426 175.042 175.510 -0.070 0.000 1.107 688 N CA -0.298 52.688 53.050 -0.108 0.000 0.869 688 N CB 0.478 38.914 38.487 -0.086 0.000 0.983 688 N HN 0.038 nan 8.380 nan 0.000 0.487 689 C N 2.104 121.349 119.300 -0.091 0.000 2.627 689 C HA 0.184 4.645 4.460 0.002 0.000 0.404 689 C C 1.759 176.775 174.990 0.044 0.000 1.340 689 C CA -0.696 58.362 59.018 0.068 0.000 1.758 689 C CB -1.272 26.638 27.740 0.283 0.000 2.501 689 C HN 0.512 nan 8.230 nan 0.000 0.588 690 I N 2.383 122.970 120.570 0.029 0.000 3.810 690 I HA 0.203 4.374 4.170 0.002 0.000 0.322 690 I C 0.937 176.996 176.117 -0.097 0.000 1.288 690 I CA 0.144 61.427 61.300 -0.028 0.000 1.143 690 I CB -0.695 37.289 38.000 -0.026 0.000 1.012 690 I HN 0.854 nan 8.210 nan 0.000 0.423 691 Q N 0.660 120.379 119.800 -0.135 0.000 2.453 691 Q HA -0.244 4.097 4.340 0.002 0.000 0.294 691 Q C 1.399 177.187 176.000 -0.354 0.000 1.295 691 Q CA 0.687 56.184 55.803 -0.509 0.000 0.853 691 Q CB -1.952 26.302 28.738 -0.808 0.000 1.193 691 Q HN 0.967 nan 8.270 nan 0.000 0.461 692 C N -2.894 116.327 119.300 -0.132 0.000 2.533 692 C HA 0.160 4.621 4.460 0.002 0.000 0.272 692 C C 1.130 176.075 174.990 -0.076 0.000 1.371 692 C CA 0.715 59.674 59.018 -0.097 0.000 1.758 692 C CB -0.569 27.134 27.740 -0.062 0.000 1.972 692 C HN 0.844 nan 8.230 nan 0.000 0.522 693 N N -0.014 118.683 118.700 -0.005 0.000 2.863 693 N HA -0.257 4.484 4.740 0.002 0.000 0.245 693 N C 0.874 176.400 175.510 0.026 0.000 1.001 693 N CA 1.047 54.098 53.050 0.002 0.000 0.901 693 N CB -1.167 37.250 38.487 -0.117 0.000 1.124 693 N HN 0.728 nan 8.380 nan 0.000 0.582 694 Q N 0.021 119.827 119.800 0.011 0.000 2.084 694 Q HA -0.190 4.151 4.340 0.002 0.000 0.202 694 Q C 2.601 178.648 176.000 0.078 0.000 0.978 694 Q CA 1.987 57.803 55.803 0.021 0.000 0.844 694 Q CB -0.154 28.569 28.738 -0.025 0.000 0.898 694 Q HN 0.838 nan 8.270 nan 0.000 0.426 695 C N 0.042 119.378 119.300 0.061 0.000 2.398 695 C HA -0.092 4.369 4.460 0.002 0.000 0.276 695 C C 2.788 177.803 174.990 0.043 0.000 1.222 695 C CA 0.593 59.643 59.018 0.052 0.000 1.746 695 C CB -1.463 26.305 27.740 0.047 0.000 2.039 695 C HN 0.490 nan 8.230 nan 0.000 0.470 696 A N 0.268 123.105 122.820 0.030 0.000 1.902 696 A HA -0.063 4.258 4.320 0.002 0.000 0.217 696 A C 2.014 179.601 177.584 0.005 0.000 1.181 696 A CA 1.689 53.722 52.037 -0.006 0.000 0.623 696 A CB -1.113 17.860 19.000 -0.044 0.000 0.818 696 A HN 0.607 nan 8.150 nan 0.000 0.443 697 F N 0.258 120.163 119.950 -0.075 0.000 2.120 697 F HA -0.170 4.359 4.527 0.002 0.000 0.300 697 F C 2.207 177.960 175.800 -0.077 0.000 1.095 697 F CA 2.009 59.970 58.000 -0.066 0.000 1.249 697 F CB -0.067 38.902 39.000 -0.051 0.000 0.995 697 F HN 0.045 nan 8.300 nan 0.000 0.480 698 V N -0.832 119.173 119.914 0.151 0.000 3.129 698 V HA -0.101 4.020 4.120 0.002 0.000 0.259 698 V C 1.040 177.112 176.094 -0.037 0.000 1.116 698 V CA 0.466 62.799 62.300 0.056 0.000 1.127 698 V CB -0.448 31.424 31.823 0.082 0.000 0.742 698 V HN 0.420 nan 8.190 nan 0.000 0.474 699 C N 2.964 122.238 119.300 -0.043 0.000 2.638 699 C HA 0.157 4.618 4.460 0.002 0.000 0.410 699 C C -0.640 174.298 174.990 -0.086 0.000 1.404 699 C CA -0.970 58.026 59.018 -0.037 0.000 1.651 699 C CB 0.285 28.017 27.740 -0.014 0.000 2.495 699 C HN 0.354 nan 8.230 nan 0.000 0.606 700 P HA 0.091 nan 4.420 nan 0.000 0.249 700 P C -0.090 176.956 177.300 -0.424 0.000 1.241 700 P CA 1.158 64.145 63.100 -0.188 0.000 0.781 700 P CB -0.019 31.631 31.700 -0.083 0.000 1.088 701 H N -3.463 115.534 119.070 -0.120 0.000 3.540 701 H HA 0.271 4.828 4.556 0.001 0.000 0.259 701 H C 0.488 175.822 175.328 0.012 0.000 1.197 701 H CA 0.003 56.014 56.048 -0.061 0.000 1.136 701 H CB 0.205 29.973 29.762 0.009 0.000 1.605 701 H HN -0.223 nan 8.280 nan 0.000 0.657 702 S N 0.102 115.802 115.700 0.001 0.000 3.635 702 S HA -0.246 4.225 4.470 0.002 0.000 0.328 702 S C 1.347 176.050 174.600 0.171 0.000 1.135 702 S CA 0.491 58.678 58.200 -0.022 0.000 0.942 702 S CB -1.382 61.677 63.200 -0.235 0.000 0.930 702 S HN 0.681 nan 8.310 nan 0.000 0.512 703 A N -0.152 122.764 122.820 0.161 0.000 2.238 703 A HA 0.447 4.768 4.320 0.002 0.000 0.208 703 A C 0.640 178.250 177.584 0.043 0.000 1.177 703 A CA 0.353 52.466 52.037 0.127 0.000 0.804 703 A CB 0.049 19.089 19.000 0.066 0.000 0.823 703 A HN 0.658 nan 8.150 nan 0.000 0.482 704 I N 0.536 121.113 120.570 0.012 0.000 2.378 704 I HA 0.344 4.515 4.170 0.002 0.000 0.291 704 I C -1.073 175.007 176.117 -0.062 0.000 0.992 704 I CA -0.826 60.448 61.300 -0.044 0.000 1.154 704 I CB 1.973 39.941 38.000 -0.053 0.000 1.315 704 I HN 0.103 nan 8.210 nan 0.000 0.448 705 L N 9.860 131.025 121.223 -0.097 0.000 2.318 705 L HA 0.616 4.957 4.340 0.002 0.000 0.277 705 L C -2.665 174.095 176.870 -0.184 0.000 1.008 705 L CA -1.850 52.932 54.840 -0.097 0.000 0.846 705 L CB 1.164 43.197 42.059 -0.043 0.000 1.220 705 L HN 0.215 nan 8.230 nan 0.000 0.423 706 P HA 0.208 nan 4.420 nan 0.000 0.271 706 P C -1.190 176.012 177.300 -0.163 0.000 1.220 706 P CA 0.008 62.947 63.100 -0.268 0.000 0.768 706 P CB 1.114 32.721 31.700 -0.155 0.000 0.848 707 V N 5.384 125.092 119.914 -0.345 0.000 2.487 707 V HA 0.389 4.510 4.120 0.002 0.000 0.298 707 V C -0.272 175.719 176.094 -0.170 0.000 1.028 707 V CA -0.514 61.690 62.300 -0.160 0.000 0.860 707 V CB 1.745 33.515 31.823 -0.087 0.000 0.991 707 V HN 0.322 nan 8.190 nan 0.000 0.427 708 L N 5.126 126.285 121.223 -0.107 0.000 2.401 708 L HA 0.886 5.227 4.340 0.002 0.000 0.263 708 L C -0.054 176.784 176.870 -0.053 0.000 1.004 708 L CA 0.034 54.770 54.840 -0.172 0.000 0.881 708 L CB 0.991 42.619 42.059 -0.720 0.000 1.219 708 L HN 0.771 nan 8.230 nan 0.000 0.441 709 A N 4.933 127.839 122.820 0.143 0.000 2.386 709 A HA 0.742 5.063 4.320 0.002 0.000 0.311 709 A C -0.852 176.902 177.584 0.284 0.000 1.068 709 A CA -0.850 51.316 52.037 0.215 0.000 0.743 709 A CB 1.249 20.355 19.000 0.177 0.000 1.258 709 A HN 0.520 nan 8.150 nan 0.000 0.429 710 K N 1.607 122.135 120.400 0.214 0.000 2.202 710 K HA 0.136 4.457 4.320 0.002 0.000 0.264 710 K C 0.533 177.166 176.600 0.055 0.000 1.010 710 K CA 0.182 56.480 56.287 0.018 0.000 0.940 710 K CB 1.059 33.476 32.500 -0.138 0.000 0.983 710 K HN 0.886 nan 8.250 nan 0.000 0.475 711 E N 1.440 121.660 120.200 0.033 0.000 2.333 711 E HA -0.234 4.117 4.350 0.002 0.000 0.200 711 E C 0.820 177.452 176.600 0.054 0.000 1.010 711 E CA 1.283 57.718 56.400 0.059 0.000 0.841 711 E CB 0.007 29.738 29.700 0.052 0.000 0.757 711 E HN 0.699 nan 8.360 nan 0.000 0.508 712 E N 1.502 121.721 120.200 0.032 0.000 2.371 712 E HA -0.106 4.245 4.350 0.002 0.000 0.194 712 E C 1.082 177.709 176.600 0.046 0.000 1.012 712 E CA 0.579 56.998 56.400 0.031 0.000 0.860 712 E CB -0.134 29.574 29.700 0.012 0.000 0.811 712 E HN 0.534 nan 8.360 nan 0.000 0.502 713 E N 0.302 120.537 120.200 0.059 0.000 2.502 713 E HA 0.042 4.393 4.350 0.002 0.000 0.194 713 E C 0.486 177.153 176.600 0.112 0.000 1.062 713 E CA -0.059 56.376 56.400 0.058 0.000 0.867 713 E CB 0.255 29.986 29.700 0.052 0.000 0.888 713 E HN 0.071 nan 8.360 nan 0.000 0.510 714 L N 0.160 121.469 121.223 0.144 0.000 2.769 714 L HA 0.086 4.427 4.340 0.002 0.000 0.240 714 L C 1.646 178.591 176.870 0.124 0.000 1.163 714 L CA 0.239 55.200 54.840 0.203 0.000 0.962 714 L CB -0.146 42.036 42.059 0.205 0.000 1.258 714 L HN -0.008 nan 8.230 nan 0.000 0.513 715 V N 1.007 120.980 119.914 0.098 0.000 2.250 715 V HA -0.238 3.883 4.120 0.002 0.000 0.250 715 V C 1.923 178.030 176.094 0.021 0.000 1.060 715 V CA 2.262 64.593 62.300 0.052 0.000 1.030 715 V CB -0.659 31.189 31.823 0.042 0.000 0.643 715 V HN 0.588 nan 8.190 nan 0.000 0.445 716 G N -0.974 107.854 108.800 0.046 0.000 3.702 716 G HA2 0.505 4.466 3.960 0.002 0.000 0.288 716 G HA3 0.505 4.466 3.960 0.002 0.000 0.288 716 G C 0.233 174.953 174.900 -0.300 0.000 1.193 716 G CA 0.439 45.518 45.100 -0.035 0.000 0.952 716 G HN 0.601 nan 8.290 nan 0.000 0.544 717 A N 1.116 123.636 122.820 -0.501 0.000 2.440 717 A HA 0.610 4.931 4.320 0.002 0.000 0.251 717 A C -1.865 175.341 177.584 -0.631 0.000 1.089 717 A CA -0.874 50.437 52.037 -1.210 0.000 0.779 717 A CB 0.307 18.907 19.000 -0.666 0.000 1.022 717 A HN 0.256 nan 8.150 nan 0.000 0.492 718 P HA 0.132 nan 4.420 nan 0.000 0.269 718 P C 0.976 178.235 177.300 -0.069 0.000 1.211 718 P CA 0.641 63.602 63.100 -0.230 0.000 0.781 718 P CB 0.592 32.207 31.700 -0.142 0.000 0.877 719 A N 2.931 125.735 122.820 -0.026 0.000 1.908 719 A HA -0.220 4.101 4.320 0.002 0.000 0.218 719 A C 1.462 179.079 177.584 0.056 0.000 1.181 719 A CA 2.008 54.053 52.037 0.013 0.000 0.627 719 A CB -1.403 17.602 19.000 0.008 0.000 0.818 719 A HN 0.820 nan 8.150 nan 0.000 0.445 720 N N -2.095 116.648 118.700 0.071 0.000 2.362 720 N HA 0.075 4.816 4.740 0.002 0.000 0.204 720 N C 0.066 175.667 175.510 0.152 0.000 1.166 720 N CA -0.275 52.831 53.050 0.093 0.000 0.831 720 N CB -0.100 38.431 38.487 0.073 0.000 1.008 720 N HN 0.298 nan 8.380 nan 0.000 0.472 721 F N 3.037 122.987 119.950 -0.001 0.000 2.733 721 F HA 0.159 4.687 4.527 0.002 0.000 0.344 721 F C 0.102 175.952 175.800 0.084 0.000 1.179 721 F CA -0.447 57.568 58.000 0.025 0.000 1.316 721 F CB -0.788 38.176 39.000 -0.061 0.000 1.577 721 F HN -0.104 nan 8.300 nan 0.000 0.591 722 T N 2.480 117.070 114.554 0.061 0.000 2.871 722 T HA 0.388 4.739 4.350 0.002 0.000 0.296 722 T C 0.170 174.945 174.700 0.124 0.000 0.998 722 T CA 0.200 62.355 62.100 0.092 0.000 1.162 722 T CB 0.491 69.410 68.868 0.086 0.000 0.947 722 T HN 0.511 nan 8.240 nan 0.000 0.536 723 A N 4.067 126.979 122.820 0.152 0.000 2.381 723 A HA 0.666 4.987 4.320 0.002 0.000 0.299 723 A C -0.209 177.517 177.584 0.237 0.000 1.049 723 A CA -0.879 51.283 52.037 0.207 0.000 0.715 723 A CB 0.891 19.981 19.000 0.150 0.000 1.222 723 A HN 0.800 nan 8.150 nan 0.000 0.428 724 L N 1.161 122.588 121.223 0.341 0.000 2.466 724 L HA 0.312 4.653 4.340 0.002 0.000 0.257 724 L C 1.072 178.090 176.870 0.247 0.000 1.189 724 L CA -0.392 54.605 54.840 0.261 0.000 0.813 724 L CB 0.572 42.819 42.059 0.314 0.000 1.118 724 L HN 0.828 nan 8.230 nan 0.000 0.471 725 E N 1.338 121.640 120.200 0.170 0.000 2.290 725 E HA 0.270 4.621 4.350 0.002 0.000 0.277 725 E C -0.596 176.105 176.600 0.168 0.000 1.035 725 E CA -0.750 55.740 56.400 0.150 0.000 0.873 725 E CB 1.247 31.004 29.700 0.095 0.000 1.029 725 E HN 0.617 nan 8.360 nan 0.000 0.419 726 A N 5.378 128.321 122.820 0.205 0.000 2.520 726 A HA 0.067 4.388 4.320 0.002 0.000 0.245 726 A C -0.060 177.591 177.584 0.111 0.000 1.072 726 A CA 0.179 52.334 52.037 0.197 0.000 0.761 726 A CB 0.210 19.377 19.000 0.277 0.000 1.004 726 A HN 0.646 nan 8.150 nan 0.000 0.499 727 K N 1.299 121.728 120.400 0.047 0.000 2.234 727 K HA 0.551 4.872 4.320 0.002 0.000 0.282 727 K C 0.267 176.886 176.600 0.032 0.000 1.039 727 K CA 0.677 56.973 56.287 0.016 0.000 0.928 727 K CB 1.201 33.677 32.500 -0.041 0.000 1.039 727 K HN 1.298 nan 8.250 nan 0.000 0.470 728 G N 1.661 110.484 108.800 0.039 0.000 2.435 728 G HA2 -0.129 3.832 3.960 0.002 0.000 0.603 728 G HA3 -0.129 3.832 3.960 0.002 0.000 0.603 728 G C 0.089 175.024 174.900 0.059 0.000 1.496 728 G CA -0.654 44.475 45.100 0.048 0.000 0.896 728 G HN 0.581 nan 8.290 nan 0.000 0.657 729 K N 0.254 120.683 120.400 0.048 0.000 2.057 729 K HA -0.090 4.231 4.320 0.002 0.000 0.207 729 K C 1.787 178.425 176.600 0.064 0.000 1.049 729 K CA 2.198 58.513 56.287 0.047 0.000 0.931 729 K CB -0.031 32.491 32.500 0.036 0.000 0.714 729 K HN 0.492 nan 8.250 nan 0.000 0.440 730 E N 0.544 120.787 120.200 0.072 0.000 2.358 730 E HA 0.015 4.366 4.350 0.002 0.000 0.195 730 E C 0.181 176.865 176.600 0.139 0.000 1.010 730 E CA 0.525 56.978 56.400 0.088 0.000 0.856 730 E CB 0.146 29.888 29.700 0.069 0.000 0.795 730 E HN 0.299 nan 8.360 nan 0.000 0.504 731 L N 0.543 121.857 121.223 0.152 0.000 2.679 731 L HA 0.380 4.721 4.340 0.002 0.000 0.238 731 L C 0.942 177.960 176.870 0.247 0.000 1.330 731 L CA -0.308 54.693 54.840 0.268 0.000 0.935 731 L CB 0.748 42.903 42.059 0.161 0.000 1.243 731 L HN -0.093 nan 8.230 nan 0.000 0.484 732 K N 1.340 121.843 120.400 0.172 0.000 2.005 732 K HA 0.037 4.358 4.320 0.002 0.000 0.206 732 K C 1.942 178.572 176.600 0.051 0.000 1.044 732 K CA 1.275 57.615 56.287 0.087 0.000 0.942 732 K CB 0.081 32.606 32.500 0.041 0.000 0.727 732 K HN 0.583 nan 8.250 nan 0.000 0.439 733 G N -0.168 108.597 108.800 -0.059 0.000 2.650 733 G HA2 -0.084 3.877 3.960 0.002 0.000 0.214 733 G HA3 -0.084 3.877 3.960 0.002 0.000 0.214 733 G C 0.150 174.963 174.900 -0.145 0.000 1.136 733 G CA 0.189 45.205 45.100 -0.141 0.000 0.789 733 G HN 0.090 nan 8.290 nan 0.000 0.536 734 Y N 0.350 120.672 120.300 0.037 0.000 2.296 734 Y HA 0.428 4.979 4.550 0.002 0.000 0.343 734 Y C 0.667 176.623 175.900 0.093 0.000 1.292 734 Y CA -0.140 57.988 58.100 0.047 0.000 1.490 734 Y CB 0.699 39.169 38.460 0.017 0.000 1.359 734 Y HN -0.226 nan 8.280 nan 0.000 0.599 735 K N 1.387 121.973 120.400 0.310 0.000 2.324 735 K HA 0.351 4.672 4.320 0.002 0.000 0.253 735 K C -1.683 175.093 176.600 0.293 0.000 0.932 735 K CA -0.767 55.678 56.287 0.264 0.000 0.799 735 K CB 1.975 34.603 32.500 0.212 0.000 1.154 735 K HN 0.546 nan 8.250 nan 0.000 0.425 736 F N 2.293 122.344 119.950 0.167 0.000 2.458 736 F HA 0.512 5.040 4.527 0.002 0.000 0.336 736 F C -0.206 175.663 175.800 0.116 0.000 1.114 736 F CA -0.694 57.398 58.000 0.152 0.000 0.987 736 F CB 1.321 40.438 39.000 0.195 0.000 1.130 736 F HN 0.478 nan 8.300 nan 0.000 0.458 737 R N 7.236 127.293 120.500 -0.737 0.000 2.522 737 R HA 0.442 4.783 4.340 0.002 0.000 0.283 737 R C -2.168 173.357 176.300 -1.292 0.000 1.074 737 R CA -0.725 54.858 56.100 -0.861 0.000 0.925 737 R CB 1.188 31.117 30.300 -0.619 0.000 1.205 737 R HN 0.623 nan 8.270 nan 0.000 0.436 738 I N 4.126 123.585 120.570 -1.852 0.000 2.322 738 I HA 0.147 4.318 4.170 0.002 0.000 0.292 738 I C -0.209 175.362 176.117 -0.911 0.000 1.060 738 I CA -0.090 60.434 61.300 -1.293 0.000 1.309 738 I CB 1.150 38.329 38.000 -1.368 0.000 1.415 738 I HN 0.664 nan 8.210 nan 0.000 0.492 739 Q N 7.007 126.498 119.800 -0.515 0.000 2.340 739 Q HA 0.397 4.738 4.340 0.002 0.000 0.259 739 Q C -0.784 175.124 176.000 -0.153 0.000 0.964 739 Q CA -0.462 55.172 55.803 -0.281 0.000 0.900 739 Q CB 0.981 29.625 28.738 -0.156 0.000 1.228 739 Q HN 0.359 nan 8.270 nan 0.000 0.449 740 I N 3.455 123.968 120.570 -0.095 0.000 2.474 740 I HA 0.158 4.329 4.170 0.002 0.000 0.287 740 I C 0.277 176.380 176.117 -0.024 0.000 1.048 740 I CA -0.032 61.241 61.300 -0.045 0.000 1.383 740 I CB 0.709 38.702 38.000 -0.011 0.000 1.412 740 I HN 0.769 nan 8.210 nan 0.000 0.531 741 N N 3.640 122.323 118.700 -0.028 0.000 2.949 741 N HA 0.070 4.810 4.740 0.002 0.000 0.243 741 N C 1.269 176.737 175.510 -0.069 0.000 1.113 741 N CA -0.138 52.880 53.050 -0.053 0.000 0.980 741 N CB 0.553 39.003 38.487 -0.062 0.000 1.256 741 N HN 0.733 nan 8.380 nan 0.000 0.508 742 T N 0.405 114.931 114.554 -0.046 0.000 2.849 742 T HA -0.144 4.207 4.350 0.002 0.000 0.270 742 T C 1.501 176.164 174.700 -0.062 0.000 1.066 742 T CA 0.847 62.923 62.100 -0.039 0.000 1.130 742 T CB -0.126 68.735 68.868 -0.011 0.000 0.864 742 T HN 0.433 nan 8.240 nan 0.000 0.481 743 L N 0.153 121.319 121.223 -0.095 0.000 2.446 743 L HA 0.176 4.517 4.340 0.002 0.000 0.219 743 L C 2.040 178.808 176.870 -0.170 0.000 1.116 743 L CA 0.739 55.513 54.840 -0.110 0.000 0.844 743 L CB -0.162 41.836 42.059 -0.103 0.000 0.970 743 L HN 0.193 nan 8.230 nan 0.000 0.457 744 D N -0.862 119.387 120.400 -0.251 0.000 2.392 744 D HA 0.004 4.644 4.640 0.002 0.000 0.206 744 D C 0.771 176.977 176.300 -0.157 0.000 1.046 744 D CA 0.135 53.948 54.000 -0.312 0.000 0.865 744 D CB 0.294 40.644 40.800 -0.750 0.000 0.969 744 D HN 0.204 nan 8.370 nan 0.000 0.509 745 C N 1.652 120.883 119.300 -0.115 0.000 2.634 745 C HA 0.018 4.479 4.460 0.002 0.000 0.417 745 C C 1.511 176.416 174.990 -0.141 0.000 1.334 745 C CA -0.015 58.953 59.018 -0.084 0.000 1.829 745 C CB -0.256 27.454 27.740 -0.050 0.000 2.665 745 C HN 0.189 nan 8.230 nan 0.000 0.614 746 M N 4.589 124.069 119.600 -0.199 0.000 2.404 746 M HA 0.201 4.682 4.480 0.002 0.000 0.271 746 M C 1.588 177.822 176.300 -0.111 0.000 1.128 746 M CA 0.855 56.019 55.300 -0.228 0.000 0.982 746 M CB -0.853 31.469 32.600 -0.463 0.000 1.445 746 M HN 1.175 nan 8.290 nan 0.000 0.495 747 G N 1.464 110.225 108.800 -0.065 0.000 2.305 747 G HA2 -0.327 3.634 3.960 0.002 0.000 0.287 747 G HA3 -0.327 3.634 3.960 0.002 0.000 0.287 747 G C 0.970 175.860 174.900 -0.016 0.000 1.036 747 G CA 0.550 45.633 45.100 -0.030 0.000 0.887 747 G HN 0.681 nan 8.290 nan 0.000 0.505 748 C N -2.780 116.513 119.300 -0.012 0.000 2.522 748 C HA 0.577 5.038 4.460 0.002 0.000 0.280 748 C C 2.551 177.549 174.990 0.013 0.000 1.303 748 C CA 1.495 60.516 59.018 0.005 0.000 1.709 748 C CB -0.487 27.263 27.740 0.018 0.000 2.071 748 C HN 2.354 nan 8.230 nan 0.000 0.492 749 G N 0.927 109.737 108.800 0.016 0.000 2.201 749 G HA2 -0.266 3.695 3.960 0.002 0.000 0.212 749 G HA3 -0.266 3.695 3.960 0.002 0.000 0.212 749 G C 0.506 175.421 174.900 0.025 0.000 0.994 749 G CA 0.540 45.652 45.100 0.021 0.000 0.644 749 G HN 0.548 nan 8.290 nan 0.000 0.508 750 N N 0.115 118.830 118.700 0.025 0.000 2.137 750 N HA -0.175 4.566 4.740 0.002 0.000 0.190 750 N C 2.636 178.163 175.510 0.030 0.000 1.017 750 N CA 2.590 55.655 53.050 0.026 0.000 0.859 750 N CB -0.429 38.070 38.487 0.021 0.000 1.002 750 N HN 0.941 nan 8.380 nan 0.000 0.428 751 C N -0.315 119.004 119.300 0.031 0.000 2.436 751 C HA 0.147 4.608 4.460 0.002 0.000 0.277 751 C C 2.731 177.749 174.990 0.046 0.000 1.241 751 C CA 0.431 59.472 59.018 0.038 0.000 1.721 751 C CB -1.343 26.419 27.740 0.037 0.000 2.043 751 C HN 0.373 nan 8.230 nan 0.000 0.472 752 A N 1.071 123.918 122.820 0.045 0.000 1.969 752 A HA -0.162 4.159 4.320 0.002 0.000 0.218 752 A C 1.896 179.503 177.584 0.039 0.000 1.169 752 A CA 2.165 54.230 52.037 0.048 0.000 0.635 752 A CB -0.968 18.059 19.000 0.044 0.000 0.810 752 A HN 0.680 nan 8.150 nan 0.000 0.445 753 D N -1.162 119.258 120.400 0.033 0.000 2.219 753 D HA -0.086 4.555 4.640 0.002 0.000 0.205 753 D C 1.437 177.754 176.300 0.028 0.000 0.970 753 D CA 0.919 54.937 54.000 0.029 0.000 0.851 753 D CB -0.021 40.796 40.800 0.029 0.000 0.943 753 D HN 0.303 nan 8.370 nan 0.000 0.488 754 I N 0.090 120.678 120.570 0.030 0.000 3.035 754 I HA 0.074 4.245 4.170 0.002 0.000 0.271 754 I C 0.423 176.554 176.117 0.024 0.000 1.190 754 I CA -0.049 61.265 61.300 0.024 0.000 1.472 754 I CB -0.224 37.791 38.000 0.024 0.000 1.116 754 I HN 0.120 nan 8.210 nan 0.000 0.443 755 C N 4.301 123.623 119.300 0.037 0.000 2.255 755 C HA -0.079 4.382 4.460 0.002 0.000 0.401 755 C C -0.418 174.590 174.990 0.029 0.000 1.529 755 C CA -0.916 58.131 59.018 0.047 0.000 1.418 755 C CB -0.291 27.489 27.740 0.068 0.000 2.522 755 C HN 0.280 nan 8.230 nan 0.000 0.616 756 P HA -0.056 nan 4.420 nan 0.000 0.214 756 P C -1.732 175.570 177.300 0.005 0.000 1.163 756 P CA 1.318 64.421 63.100 0.004 0.000 0.889 756 P CB -1.065 30.630 31.700 -0.008 0.000 0.790 757 P HA -0.043 nan 4.420 nan 0.000 0.266 757 P C 0.431 177.732 177.300 0.002 0.000 1.195 757 P CA 0.547 63.647 63.100 0.001 0.000 0.768 757 P CB 0.837 32.535 31.700 -0.002 0.000 0.838 758 K N 1.149 121.547 120.400 -0.003 0.000 2.009 758 K HA -0.111 4.210 4.320 0.002 0.000 0.210 758 K C 0.656 177.255 176.600 -0.003 0.000 1.049 758 K CA 1.194 57.480 56.287 -0.002 0.000 0.929 758 K CB -0.117 32.381 32.500 -0.004 0.000 0.714 758 K HN 0.478 nan 8.250 nan 0.000 0.440 759 E N 2.547 122.742 120.200 -0.008 0.000 1.861 759 E HA 0.065 4.416 4.350 0.002 0.000 0.263 759 E C -0.541 176.051 176.600 -0.013 0.000 1.137 759 E CA -0.004 56.388 56.400 -0.014 0.000 0.944 759 E CB 0.345 30.032 29.700 -0.022 0.000 1.092 759 E HN 0.054 nan 8.360 nan 0.000 0.420 760 K N 0.766 121.164 120.400 -0.002 0.000 2.569 760 K HA -0.072 4.249 4.320 0.002 0.000 0.280 760 K C 0.782 177.385 176.600 0.006 0.000 0.984 760 K CA 0.167 56.461 56.287 0.011 0.000 1.064 760 K CB 0.564 33.076 32.500 0.020 0.000 0.866 760 K HN 0.396 nan 8.250 nan 0.000 0.492 761 A N 4.057 126.898 122.820 0.034 0.000 2.275 761 A HA 0.175 4.496 4.320 0.002 0.000 0.212 761 A C 0.383 178.047 177.584 0.132 0.000 1.201 761 A CA 0.188 52.241 52.037 0.028 0.000 0.843 761 A CB 0.165 19.218 19.000 0.089 0.000 0.873 761 A HN 0.538 nan 8.150 nan 0.000 0.492 762 L N 0.451 121.745 121.223 0.118 0.000 2.439 762 L HA 0.511 4.852 4.340 0.002 0.000 0.270 762 L C -1.548 175.368 176.870 0.076 0.000 0.972 762 L CA -0.632 54.289 54.840 0.135 0.000 0.836 762 L CB 2.461 44.603 42.059 0.140 0.000 1.255 762 L HN -0.094 nan 8.230 nan 0.000 0.404 763 V N 3.788 123.742 119.914 0.068 0.000 2.577 763 V HA 0.431 4.551 4.120 0.002 0.000 0.303 763 V C 0.177 176.297 176.094 0.042 0.000 1.042 763 V CA -0.661 61.665 62.300 0.044 0.000 0.872 763 V CB 2.199 34.039 31.823 0.030 0.000 0.998 763 V HN 0.655 nan 8.190 nan 0.000 0.423 764 M N 4.595 124.215 119.600 0.033 0.000 2.239 764 M HA 0.398 4.879 4.480 0.002 0.000 0.348 764 M C -0.307 176.008 176.300 0.025 0.000 1.239 764 M CA 0.531 55.848 55.300 0.028 0.000 1.114 764 M CB 0.547 33.160 32.600 0.022 0.000 1.641 764 M HN 0.635 nan 8.290 nan 0.000 0.453 765 Q N 2.075 121.890 119.800 0.024 0.000 2.435 765 Q HA 0.519 4.860 4.340 0.002 0.000 0.282 765 Q C -2.595 173.417 176.000 0.020 0.000 1.020 765 Q CA -1.867 53.950 55.803 0.023 0.000 0.820 765 Q CB 1.450 30.204 28.738 0.027 0.000 1.436 765 Q HN 0.322 nan 8.270 nan 0.000 0.395 766 P HA -0.035 nan 4.420 nan 0.000 0.266 766 P C 0.854 178.167 177.300 0.021 0.000 1.195 766 P CA -0.104 63.007 63.100 0.019 0.000 0.768 766 P CB 0.519 32.231 31.700 0.020 0.000 0.838 767 L N 3.511 124.746 121.223 0.019 0.000 2.129 767 L HA -0.210 4.131 4.340 0.002 0.000 0.212 767 L C 1.421 178.307 176.870 0.026 0.000 1.087 767 L CA 2.081 56.932 54.840 0.019 0.000 0.757 767 L CB -0.988 41.081 42.059 0.016 0.000 0.896 767 L HN 0.301 nan 8.230 nan 0.000 0.434 768 D N -1.010 119.409 120.400 0.032 0.000 2.144 768 D HA -0.154 4.487 4.640 0.002 0.000 0.200 768 D C 2.139 178.460 176.300 0.035 0.000 0.978 768 D CA 1.822 55.845 54.000 0.038 0.000 0.833 768 D CB -0.231 40.596 40.800 0.045 0.000 0.961 768 D HN 0.580 nan 8.370 nan 0.000 0.470 769 T N -1.705 112.868 114.554 0.032 0.000 3.035 769 T HA -0.071 4.280 4.350 0.002 0.000 0.268 769 T C 1.602 176.321 174.700 0.032 0.000 1.109 769 T CA 0.742 62.860 62.100 0.031 0.000 1.119 769 T CB 0.190 69.075 68.868 0.028 0.000 0.900 769 T HN -0.007 nan 8.240 nan 0.000 0.503 770 Q N 1.103 120.922 119.800 0.032 0.000 2.442 770 Q HA 0.177 4.518 4.340 0.002 0.000 0.228 770 Q C 2.540 178.560 176.000 0.032 0.000 0.902 770 Q CA 0.731 56.554 55.803 0.034 0.000 0.933 770 Q CB -0.171 28.587 28.738 0.032 0.000 1.071 770 Q HN 0.746 nan 8.270 nan 0.000 0.562 771 R N 1.373 121.890 120.500 0.028 0.000 2.096 771 R HA -0.146 4.195 4.340 0.002 0.000 0.240 771 R C 1.334 177.650 176.300 0.028 0.000 1.139 771 R CA 1.857 57.972 56.100 0.024 0.000 0.952 771 R CB -0.579 29.733 30.300 0.020 0.000 0.854 771 R HN 0.029 nan 8.270 nan 0.000 0.436 772 D N 1.006 121.424 120.400 0.030 0.000 2.149 772 D HA -0.120 4.521 4.640 0.002 0.000 0.198 772 D C 1.986 178.306 176.300 0.034 0.000 0.990 772 D CA 1.855 55.872 54.000 0.029 0.000 0.839 772 D CB -0.287 40.529 40.800 0.027 0.000 0.948 772 D HN 0.463 nan 8.370 nan 0.000 0.460 773 A N 0.594 123.438 122.820 0.041 0.000 1.874 773 A HA -0.114 4.207 4.320 0.002 0.000 0.214 773 A C 2.054 179.678 177.584 0.066 0.000 1.189 773 A CA 0.927 52.995 52.037 0.052 0.000 0.615 773 A CB -0.227 18.805 19.000 0.053 0.000 0.830 773 A HN 0.018 nan 8.150 nan 0.000 0.443 774 Q N -0.128 119.708 119.800 0.060 0.000 2.311 774 Q HA 0.004 4.345 4.340 0.002 0.000 0.203 774 Q C 2.201 178.236 176.000 0.059 0.000 0.954 774 Q CA 1.076 56.919 55.803 0.066 0.000 0.885 774 Q CB -0.714 28.053 28.738 0.049 0.000 0.963 774 Q HN 0.459 nan 8.270 nan 0.000 0.471 775 V N 2.534 122.473 119.914 0.041 0.000 2.295 775 V HA -0.173 3.948 4.120 0.002 0.000 0.246 775 V C -0.592 175.530 176.094 0.047 0.000 1.049 775 V CA 2.080 64.397 62.300 0.029 0.000 1.024 775 V CB -1.685 30.147 31.823 0.015 0.000 0.648 775 V HN 0.256 nan 8.190 nan 0.000 0.447 776 P HA -0.129 nan 4.420 nan 0.000 0.217 776 P C 1.089 178.454 177.300 0.107 0.000 1.151 776 P CA 1.492 64.630 63.100 0.063 0.000 0.828 776 P CB -0.212 31.515 31.700 0.044 0.000 0.788 777 N N -0.044 118.747 118.700 0.152 0.000 2.166 777 N HA -0.084 4.657 4.740 0.002 0.000 0.186 777 N C 1.917 177.610 175.510 0.307 0.000 1.019 777 N CA 0.272 53.498 53.050 0.294 0.000 0.856 777 N CB -0.469 38.234 38.487 0.360 0.000 0.993 777 N HN 0.032 nan 8.380 nan 0.000 0.426 778 L N 1.599 122.928 121.223 0.176 0.000 2.201 778 L HA -0.097 4.244 4.340 0.002 0.000 0.212 778 L C 1.627 178.551 176.870 0.090 0.000 1.105 778 L CA 1.694 56.607 54.840 0.123 0.000 0.775 778 L CB -0.364 41.724 42.059 0.048 0.000 0.913 778 L HN 0.239 nan 8.230 nan 0.000 0.440 779 E N -0.939 119.309 120.200 0.080 0.000 2.031 779 E HA -0.288 4.063 4.350 0.002 0.000 0.193 779 E C 1.979 178.596 176.600 0.029 0.000 0.994 779 E CA 1.739 58.167 56.400 0.047 0.000 0.800 779 E CB -0.306 29.423 29.700 0.047 0.000 0.752 779 E HN 0.502 nan 8.360 nan 0.000 0.447 780 Y N 0.906 121.160 120.300 -0.077 0.000 2.128 780 Y HA -0.249 4.301 4.550 0.001 0.000 0.284 780 Y C 2.101 177.890 175.900 -0.185 0.000 1.154 780 Y CA 1.629 59.613 58.100 -0.193 0.000 1.149 780 Y CB -0.465 37.765 38.460 -0.384 0.000 0.976 780 Y HN 0.032 nan 8.280 nan 0.000 0.505 781 A N 0.309 123.116 122.820 -0.022 0.000 2.076 781 A HA -0.122 4.199 4.320 0.002 0.000 0.220 781 A C 2.314 179.865 177.584 -0.055 0.000 1.160 781 A CA 1.633 53.713 52.037 0.072 0.000 0.653 781 A CB -1.377 17.832 19.000 0.348 0.000 0.801 781 A HN 0.614 nan 8.150 nan 0.000 0.455 782 A N 0.269 123.049 122.820 -0.067 0.000 2.066 782 A HA -0.075 4.246 4.320 0.002 0.000 0.218 782 A C 1.884 179.399 177.584 -0.116 0.000 1.157 782 A CA 1.060 53.059 52.037 -0.063 0.000 0.670 782 A CB -0.329 18.652 19.000 -0.033 0.000 0.804 782 A HN 0.633 nan 8.150 nan 0.000 0.453 783 R N -0.419 119.949 120.500 -0.220 0.000 2.391 783 R HA 0.302 4.643 4.340 0.002 0.000 0.249 783 R C -0.571 175.573 176.300 -0.261 0.000 0.957 783 R CA -0.147 55.807 56.100 -0.243 0.000 1.093 783 R CB 0.049 30.172 30.300 -0.295 0.000 1.156 783 R HN 0.235 nan 8.270 nan 0.000 0.526 784 I N 2.388 122.832 120.570 -0.210 0.000 2.354 784 I HA 0.328 4.499 4.170 0.002 0.000 0.292 784 I C -2.229 173.843 176.117 -0.075 0.000 0.989 784 I CA -3.466 57.752 61.300 -0.137 0.000 1.188 784 I CB 1.187 39.137 38.000 -0.083 0.000 1.342 784 I HN -0.185 nan 8.210 nan 0.000 0.457 785 P HA 0.077 nan 4.420 nan 0.000 0.268 785 P C -0.238 177.037 177.300 -0.042 0.000 1.204 785 P CA -0.176 62.899 63.100 -0.042 0.000 0.768 785 P CB 0.568 32.250 31.700 -0.029 0.000 0.842 786 V N 5.448 125.341 119.914 -0.035 0.000 2.470 786 V HA 0.013 4.134 4.120 0.002 0.000 0.276 786 V C 1.089 177.153 176.094 -0.050 0.000 1.040 786 V CA 0.090 62.373 62.300 -0.027 0.000 1.008 786 V CB 0.217 32.035 31.823 -0.008 0.000 0.990 786 V HN 0.419 nan 8.190 nan 0.000 0.477 787 K N 3.959 124.293 120.400 -0.110 0.000 2.715 787 K HA 0.082 4.403 4.320 0.002 0.000 0.248 787 K C 1.500 178.042 176.600 -0.097 0.000 1.276 787 K CA 0.179 56.356 56.287 -0.184 0.000 1.209 787 K CB -0.190 32.028 32.500 -0.470 0.000 1.509 787 K HN 0.854 nan 8.250 nan 0.000 0.261 788 S N -0.741 114.942 115.700 -0.028 0.000 2.447 788 S HA -0.087 4.384 4.470 0.002 0.000 0.233 788 S C 1.393 175.995 174.600 0.003 0.000 1.006 788 S CA 0.603 58.808 58.200 0.008 0.000 0.957 788 S CB 0.107 63.309 63.200 0.003 0.000 0.773 788 S HN 0.250 nan 8.310 nan 0.000 0.507 789 E N 0.821 121.011 120.200 -0.018 0.000 2.385 789 E HA 0.234 4.584 4.350 0.002 0.000 0.194 789 E C 1.858 178.452 176.600 -0.011 0.000 1.013 789 E CA 0.021 56.416 56.400 -0.008 0.000 0.866 789 E CB -0.441 29.256 29.700 -0.004 0.000 0.832 789 E HN 0.341 nan 8.360 nan 0.000 0.500 790 V N -0.079 119.804 119.914 -0.052 0.000 2.407 790 V HA -0.068 4.053 4.120 0.002 0.000 0.248 790 V C 0.851 176.941 176.094 -0.006 0.000 1.055 790 V CA 1.231 63.487 62.300 -0.072 0.000 1.049 790 V CB 0.126 31.785 31.823 -0.274 0.000 0.662 790 V HN 0.080 nan 8.190 nan 0.000 0.455 791 L N -1.274 119.975 121.223 0.043 0.000 2.327 791 L HA 0.475 4.816 4.340 0.002 0.000 0.258 791 L C -2.580 174.328 176.870 0.063 0.000 1.024 791 L CA -2.033 52.855 54.840 0.079 0.000 0.825 791 L CB 2.020 44.173 42.059 0.157 0.000 1.386 791 L HN -0.085 nan 8.230 nan 0.000 0.417 792 P HA 0.100 nan 4.420 nan 0.000 0.268 792 P C 0.045 177.358 177.300 0.023 0.000 1.204 792 P CA -0.075 63.042 63.100 0.029 0.000 0.768 792 P CB 0.631 32.345 31.700 0.023 0.000 0.842 793 R N 2.815 123.316 120.500 0.002 0.000 2.159 793 R HA -0.175 4.166 4.340 0.002 0.000 0.237 793 R C 0.462 176.729 176.300 -0.055 0.000 1.131 793 R CA 1.916 57.999 56.100 -0.027 0.000 0.982 793 R CB -0.184 30.084 30.300 -0.054 0.000 0.868 793 R HN 0.544 nan 8.270 nan 0.000 0.453 794 D N -0.636 119.737 120.400 -0.046 0.000 2.427 794 D HA 0.006 4.647 4.640 0.002 0.000 0.224 794 D C -0.255 176.038 176.300 -0.013 0.000 1.157 794 D CA -0.327 53.642 54.000 -0.052 0.000 0.828 794 D CB 0.413 41.178 40.800 -0.057 0.000 0.974 794 D HN 0.106 nan 8.370 nan 0.000 0.498 795 S N -0.910 114.791 115.700 0.001 0.000 2.617 795 S HA 0.313 4.784 4.470 0.002 0.000 0.283 795 S C 1.133 175.735 174.600 0.003 0.000 1.189 795 S CA -0.976 57.224 58.200 0.001 0.000 1.036 795 S CB 1.817 65.022 63.200 0.009 0.000 1.014 795 S HN 0.148 nan 8.310 nan 0.000 0.522 796 L N 1.363 122.564 121.223 -0.038 0.000 1.956 796 L HA -0.176 4.165 4.340 0.002 0.000 0.216 796 L C 2.726 179.572 176.870 -0.040 0.000 1.073 796 L CA 2.059 56.849 54.840 -0.084 0.000 0.762 796 L CB -0.523 41.412 42.059 -0.206 0.000 0.889 796 L HN 0.978 nan 8.230 nan 0.000 0.433 797 K N -0.772 119.578 120.400 -0.083 0.000 2.057 797 K HA -0.154 4.167 4.320 0.002 0.000 0.207 797 K C 1.839 178.326 176.600 -0.188 0.000 1.049 797 K CA 1.390 57.583 56.287 -0.156 0.000 0.931 797 K CB -0.330 32.112 32.500 -0.097 0.000 0.714 797 K HN 0.543 nan 8.250 nan 0.000 0.440 798 G N 0.078 108.866 108.800 -0.020 0.000 2.422 798 G HA2 -0.237 3.724 3.960 0.002 0.000 0.218 798 G HA3 -0.237 3.724 3.960 0.002 0.000 0.218 798 G C 1.458 176.379 174.900 0.035 0.000 1.140 798 G CA 0.983 46.127 45.100 0.073 0.000 0.775 798 G HN 0.478 nan 8.290 nan 0.000 0.545 799 S N -0.007 115.697 115.700 0.007 0.000 2.423 799 S HA -0.072 4.399 4.470 0.002 0.000 0.231 799 S C 1.968 176.546 174.600 -0.036 0.000 1.014 799 S CA 1.096 59.296 58.200 -0.001 0.000 0.965 799 S CB -0.119 63.123 63.200 0.071 0.000 0.785 799 S HN 0.271 nan 8.310 nan 0.000 0.495 800 Q N -0.215 119.533 119.800 -0.086 0.000 2.403 800 Q HA 0.295 4.636 4.340 0.002 0.000 0.203 800 Q C 0.091 175.992 176.000 -0.164 0.000 0.932 800 Q CA 0.330 56.041 55.803 -0.153 0.000 0.945 800 Q CB -0.297 28.334 28.738 -0.179 0.000 1.045 800 Q HN 0.650 nan 8.270 nan 0.000 0.511 801 F N 0.501 120.444 119.950 -0.012 0.000 2.639 801 F HA 0.211 4.739 4.527 0.002 0.000 0.300 801 F C 0.654 176.422 175.800 -0.054 0.000 1.109 801 F CA -0.271 57.706 58.000 -0.039 0.000 1.335 801 F CB 0.457 39.432 39.000 -0.042 0.000 1.014 801 F HN -0.154 nan 8.300 nan 0.000 0.537 802 Q N 0.321 120.170 119.800 0.082 0.000 2.248 802 Q HA 0.284 4.625 4.340 0.002 0.000 0.263 802 Q C -0.169 175.819 176.000 -0.019 0.000 1.007 802 Q CA -0.542 55.270 55.803 0.015 0.000 0.877 802 Q CB 1.398 30.118 28.738 -0.030 0.000 1.315 802 Q HN 0.318 nan 8.270 nan 0.000 0.454 803 E N 3.027 123.208 120.200 -0.033 0.000 2.290 803 E HA 0.184 4.535 4.350 0.002 0.000 0.277 803 E C -2.116 174.435 176.600 -0.082 0.000 1.035 803 E CA -1.528 54.840 56.400 -0.053 0.000 0.873 803 E CB 0.500 30.172 29.700 -0.047 0.000 1.029 803 E HN 0.177 nan 8.360 nan 0.000 0.419 804 P HA 0.087 nan 4.420 nan 0.000 0.287 804 P C -0.481 176.727 177.300 -0.153 0.000 1.281 804 P CA -0.396 62.614 63.100 -0.149 0.000 0.781 804 P CB 0.914 32.499 31.700 -0.192 0.000 0.903 805 L N 3.492 124.649 121.223 -0.111 0.000 2.848 805 L HA 0.358 4.699 4.340 0.002 0.000 0.240 805 L C 0.552 177.368 176.870 -0.091 0.000 1.232 805 L CA 0.584 55.383 54.840 -0.069 0.000 1.031 805 L CB -0.693 41.376 42.059 0.016 0.000 1.338 805 L HN 0.454 nan 8.230 nan 0.000 0.509 806 M N 0.803 120.251 119.600 -0.253 0.000 2.213 806 M HA 0.357 4.838 4.480 0.002 0.000 0.243 806 M C -1.549 174.463 176.300 -0.480 0.000 0.979 806 M CA 0.142 55.166 55.300 -0.460 0.000 1.037 806 M CB 1.384 33.653 32.600 -0.552 0.000 2.200 806 M HN 0.183 nan 8.290 nan 0.000 0.465 807 E N 3.751 123.615 120.200 -0.560 0.000 2.367 807 E HA 0.587 4.938 4.350 0.002 0.000 0.273 807 E C -0.899 175.294 176.600 -0.679 0.000 0.903 807 E CA -0.808 55.099 56.400 -0.822 0.000 0.764 807 E CB 1.713 30.539 29.700 -1.456 0.000 1.252 807 E HN 0.521 nan 8.360 nan 0.000 0.446 808 F N -0.043 119.845 119.950 -0.103 0.000 2.943 808 F HA -0.248 4.279 4.527 0.001 0.000 0.258 808 F C 0.667 176.475 175.800 0.014 0.000 0.995 808 F CA 0.451 58.448 58.000 -0.005 0.000 0.896 808 F CB -2.761 36.228 39.000 -0.019 0.000 0.821 808 F HN 0.327 nan 8.300 nan 0.000 0.828 809 S N -0.375 115.347 115.700 0.036 0.000 2.655 809 S HA 0.681 5.152 4.470 0.002 0.000 0.265 809 S C 1.388 176.083 174.600 0.158 0.000 1.240 809 S CA -0.237 57.983 58.200 0.034 0.000 0.986 809 S CB 1.696 64.817 63.200 -0.131 0.000 0.985 809 S HN 0.678 nan 8.310 nan 0.000 0.562 810 G N -0.414 108.507 108.800 0.201 0.000 3.026 810 G HA2 0.437 4.398 3.960 0.002 0.000 0.208 810 G HA3 0.437 4.398 3.960 0.002 0.000 0.208 810 G C 0.546 175.584 174.900 0.231 0.000 1.169 810 G CA 0.064 45.299 45.100 0.224 0.000 0.788 810 G HN 1.123 nan 8.290 nan 0.000 0.533 811 A N -0.513 122.387 122.820 0.135 0.000 2.475 811 A HA 0.367 4.688 4.320 0.002 0.000 0.239 811 A C 0.900 178.588 177.584 0.173 0.000 1.087 811 A CA -0.172 51.884 52.037 0.032 0.000 0.779 811 A CB -0.031 18.642 19.000 -0.545 0.000 1.036 811 A HN 0.370 nan 8.150 nan 0.000 0.506 812 C N 0.655 120.034 119.300 0.131 0.000 2.700 812 C HA 0.364 4.824 4.460 0.002 0.000 0.397 812 C C 1.244 176.332 174.990 0.164 0.000 1.301 812 C CA -0.527 58.565 59.018 0.123 0.000 2.219 812 C CB -0.128 27.662 27.740 0.083 0.000 2.699 812 C HN 0.807 nan 8.230 nan 0.000 0.669 813 S N 1.112 116.863 115.700 0.085 0.000 2.537 813 S HA 0.402 4.873 4.470 0.002 0.000 0.286 813 S C 1.183 175.826 174.600 0.072 0.000 1.299 813 S CA 0.762 58.993 58.200 0.052 0.000 1.067 813 S CB 0.208 63.396 63.200 -0.020 0.000 0.864 813 S HN 1.602 nan 8.310 nan 0.000 0.494 814 G N 1.373 110.227 108.800 0.090 0.000 2.143 814 G HA2 -0.294 3.667 3.960 0.002 0.000 0.248 814 G HA3 -0.294 3.667 3.960 0.002 0.000 0.248 814 G C 0.403 175.319 174.900 0.026 0.000 0.991 814 G CA -0.104 45.025 45.100 0.048 0.000 0.689 814 G HN 0.967 nan 8.290 nan 0.000 0.522 815 C N 0.975 120.286 119.300 0.018 0.000 2.563 815 C HA 0.467 4.928 4.460 0.002 0.000 0.411 815 C C 2.250 177.225 174.990 -0.025 0.000 1.386 815 C CA 1.140 60.147 59.018 -0.019 0.000 1.703 815 C CB -0.022 27.656 27.740 -0.103 0.000 2.596 815 C HN 1.025 nan 8.230 nan 0.000 0.605 816 G N 3.147 111.955 108.800 0.015 0.000 2.623 816 G HA2 -0.032 3.929 3.960 0.002 0.000 0.214 816 G HA3 -0.032 3.929 3.960 0.002 0.000 0.214 816 G C 1.350 176.344 174.900 0.158 0.000 1.138 816 G CA 0.458 45.591 45.100 0.055 0.000 0.794 816 G HN 0.912 nan 8.290 nan 0.000 0.535 817 E N 0.522 120.802 120.200 0.133 0.000 2.060 817 E HA -0.093 4.258 4.350 0.002 0.000 0.189 817 E C 2.881 179.594 176.600 0.189 0.000 0.974 817 E CA 1.400 57.947 56.400 0.246 0.000 0.808 817 E CB -0.330 29.594 29.700 0.373 0.000 0.768 817 E HN 0.489 nan 8.360 nan 0.000 0.453 818 T N -0.083 114.378 114.554 -0.156 0.000 2.759 818 T HA -0.110 4.241 4.350 0.002 0.000 0.269 818 T C -1.055 173.503 174.700 -0.236 0.000 1.042 818 T CA 0.896 62.752 62.100 -0.405 0.000 1.140 818 T CB -1.470 66.892 68.868 -0.843 0.000 0.864 818 T HN -0.022 nan 8.240 nan 0.000 0.455 819 P HA -0.058 nan 4.420 nan 0.000 0.215 819 P C 0.881 178.039 177.300 -0.237 0.000 1.153 819 P CA 1.071 64.015 63.100 -0.260 0.000 0.853 819 P CB -0.250 31.265 31.700 -0.308 0.000 0.788 820 Y N -0.585 119.642 120.300 -0.122 0.000 2.145 820 Y HA -0.166 4.385 4.550 0.002 0.000 0.286 820 Y C 2.420 178.285 175.900 -0.058 0.000 1.145 820 Y CA 1.331 59.390 58.100 -0.070 0.000 1.148 820 Y CB -1.559 36.964 38.460 0.104 0.000 0.981 820 Y HN -0.176 nan 8.280 nan 0.000 0.507 821 V N 0.008 119.993 119.914 0.118 0.000 2.626 821 V HA -0.212 3.909 4.120 0.002 0.000 0.252 821 V C 2.269 178.368 176.094 0.008 0.000 1.067 821 V CA 1.962 64.289 62.300 0.046 0.000 1.081 821 V CB -0.491 31.487 31.823 0.259 0.000 0.686 821 V HN 0.375 nan 8.190 nan 0.000 0.468 822 R N 0.347 120.788 120.500 -0.097 0.000 2.075 822 R HA -0.090 4.251 4.340 0.002 0.000 0.232 822 R C 2.395 178.587 176.300 -0.179 0.000 1.126 822 R CA 1.897 57.896 56.100 -0.168 0.000 0.963 822 R CB -0.407 29.744 30.300 -0.249 0.000 0.858 822 R HN 0.644 nan 8.270 nan 0.000 0.435 823 V N -0.229 119.560 119.914 -0.209 0.000 2.626 823 V HA -0.116 4.005 4.120 0.002 0.000 0.252 823 V C 1.914 177.883 176.094 -0.208 0.000 1.067 823 V CA 1.388 63.536 62.300 -0.253 0.000 1.081 823 V CB -0.303 31.270 31.823 -0.416 0.000 0.686 823 V HN 0.270 nan 8.190 nan 0.000 0.468 824 I N 2.119 122.600 120.570 -0.147 0.000 2.179 824 I HA -0.201 3.970 4.170 0.002 0.000 0.242 824 I C 2.913 178.938 176.117 -0.154 0.000 1.088 824 I CA 2.136 63.316 61.300 -0.201 0.000 1.357 824 I CB -0.865 36.954 38.000 -0.301 0.000 1.051 824 I HN 0.567 nan 8.210 nan 0.000 0.409 825 T N -1.649 112.863 114.554 -0.069 0.000 2.881 825 T HA -0.225 4.126 4.350 0.002 0.000 0.270 825 T C 1.730 176.370 174.700 -0.099 0.000 1.068 825 T CA 1.111 63.196 62.100 -0.025 0.000 1.131 825 T CB -0.407 68.485 68.868 0.039 0.000 0.871 825 T HN 0.402 nan 8.240 nan 0.000 0.479 826 Q N -0.115 119.589 119.800 -0.161 0.000 2.364 826 Q HA 0.128 4.469 4.340 0.002 0.000 0.207 826 Q C 1.724 177.583 176.000 -0.236 0.000 0.970 826 Q CA 0.762 56.462 55.803 -0.172 0.000 0.888 826 Q CB -0.109 28.523 28.738 -0.177 0.000 0.951 826 Q HN 0.432 nan 8.270 nan 0.000 0.469 827 L N -2.334 118.644 121.223 -0.408 0.000 2.388 827 L HA 0.077 4.418 4.340 0.002 0.000 0.209 827 L C 0.802 177.229 176.870 -0.737 0.000 1.061 827 L CA 1.152 55.572 54.840 -0.700 0.000 0.834 827 L CB 0.373 41.714 42.059 -1.198 0.000 1.029 827 L HN 0.124 nan 8.230 nan 0.000 0.473 828 F N -2.215 117.709 119.950 -0.043 0.000 2.798 828 F HA 0.392 4.920 4.527 0.002 0.000 0.328 828 F C 2.087 177.886 175.800 -0.002 0.000 1.098 828 F CA 0.035 58.039 58.000 0.006 0.000 1.172 828 F CB -1.137 37.892 39.000 0.049 0.000 1.072 828 F HN -0.074 nan 8.300 nan 0.000 0.555 829 G N 1.695 110.550 108.800 0.092 0.000 2.663 829 G HA2 -0.384 3.577 3.960 0.002 0.000 0.222 829 G HA3 -0.384 3.577 3.960 0.002 0.000 0.222 829 G C 1.701 176.641 174.900 0.066 0.000 1.146 829 G CA 1.768 46.911 45.100 0.072 0.000 0.764 829 G HN 0.443 nan 8.290 nan 0.000 0.608 830 E N 1.009 121.244 120.200 0.058 0.000 2.265 830 E HA -0.141 4.210 4.350 0.002 0.000 0.196 830 E C 2.090 178.723 176.600 0.055 0.000 0.996 830 E CA 0.868 57.295 56.400 0.044 0.000 0.832 830 E CB -0.359 29.364 29.700 0.039 0.000 0.756 830 E HN 0.554 nan 8.360 nan 0.000 0.491 831 R N 0.535 121.100 120.500 0.109 0.000 2.397 831 R HA 0.312 4.653 4.340 0.002 0.000 0.241 831 R C 0.967 177.363 176.300 0.159 0.000 0.914 831 R CA -0.016 56.167 56.100 0.138 0.000 1.071 831 R CB 0.137 30.554 30.300 0.196 0.000 1.116 831 R HN 0.290 nan 8.270 nan 0.000 0.524 832 M N -0.636 119.039 119.600 0.124 0.000 2.314 832 M HA 0.422 4.903 4.480 0.002 0.000 0.342 832 M C -1.072 175.235 176.300 0.012 0.000 1.171 832 M CA -0.135 55.260 55.300 0.159 0.000 1.098 832 M CB 0.979 33.691 32.600 0.186 0.000 1.559 832 M HN -0.302 nan 8.290 nan 0.000 0.459 833 F N 2.610 122.569 119.950 0.015 0.000 2.458 833 F HA 0.615 5.143 4.527 0.001 0.000 0.336 833 F C -0.452 175.252 175.800 -0.160 0.000 1.114 833 F CA -0.518 57.431 58.000 -0.085 0.000 0.987 833 F CB 1.788 40.724 39.000 -0.106 0.000 1.130 833 F HN 0.505 nan 8.300 nan 0.000 0.458 834 I N 3.268 123.745 120.570 -0.155 0.000 2.382 834 I HA 0.462 4.633 4.170 0.002 0.000 0.286 834 I C -0.458 175.322 176.117 -0.562 0.000 1.002 834 I CA -0.632 60.401 61.300 -0.444 0.000 1.135 834 I CB 1.594 39.160 38.000 -0.723 0.000 1.288 834 I HN 0.653 nan 8.210 nan 0.000 0.448 835 A N 6.272 128.817 122.820 -0.458 0.000 2.366 835 A HA 0.398 4.719 4.320 0.002 0.000 0.322 835 A C -0.380 176.963 177.584 -0.403 0.000 1.397 835 A CA -0.476 51.302 52.037 -0.432 0.000 0.984 835 A CB 0.019 18.825 19.000 -0.323 0.000 1.149 835 A HN 0.692 nan 8.150 nan 0.000 0.540 836 N N 1.854 120.210 118.700 -0.573 0.000 2.421 836 N HA 0.536 5.277 4.740 0.002 0.000 0.285 836 N C -0.082 175.220 175.510 -0.346 0.000 1.027 836 N CA 0.039 52.806 53.050 -0.472 0.000 0.918 836 N CB 1.818 39.868 38.487 -0.728 0.000 1.152 836 N HN 0.669 nan 8.380 nan 0.000 0.485 837 A N 2.318 124.921 122.820 -0.361 0.000 2.322 837 A HA 0.355 4.676 4.320 0.002 0.000 0.269 837 A C 0.397 177.960 177.584 -0.035 0.000 1.094 837 A CA -0.278 51.585 52.037 -0.290 0.000 0.807 837 A CB 0.063 18.671 19.000 -0.655 0.000 1.047 837 A HN 0.636 nan 8.150 nan 0.000 0.487 838 T N 1.022 115.628 114.554 0.087 0.000 2.946 838 T HA 0.488 4.839 4.350 0.002 0.000 0.311 838 T C 0.747 175.356 174.700 -0.150 0.000 1.063 838 T CA 1.098 63.178 62.100 -0.034 0.000 1.139 838 T CB 0.467 69.282 68.868 -0.088 0.000 0.994 838 T HN 1.838 nan 8.240 nan 0.000 0.547 839 G N 0.124 108.822 108.800 -0.171 0.000 2.350 839 G HA2 0.048 4.009 3.960 0.002 0.000 0.282 839 G HA3 0.048 4.009 3.960 0.002 0.000 0.282 839 G C 0.829 175.663 174.900 -0.110 0.000 1.314 839 G CA -0.260 44.741 45.100 -0.164 0.000 0.915 839 G HN 0.688 nan 8.290 nan 0.000 0.499 840 C N -0.177 119.092 119.300 -0.051 0.000 2.401 840 C HA -0.017 4.444 4.460 0.002 0.000 0.276 840 C C 3.217 177.974 174.990 -0.389 0.000 1.233 840 C CA 2.230 61.230 59.018 -0.030 0.000 1.753 840 C CB -1.057 26.778 27.740 0.158 0.000 2.029 840 C HN 0.803 nan 8.230 nan 0.000 0.478 841 S N 0.583 116.066 115.700 -0.361 0.000 2.374 841 S HA -0.195 4.276 4.470 0.002 0.000 0.227 841 S C 2.088 176.267 174.600 -0.702 0.000 1.037 841 S CA 2.125 59.908 58.200 -0.695 0.000 1.024 841 S CB -0.253 62.875 63.200 -0.120 0.000 0.861 841 S HN 0.882 nan 8.310 nan 0.000 0.456 842 S N 0.146 115.714 115.700 -0.220 0.000 2.478 842 S HA 0.147 4.618 4.470 0.002 0.000 0.222 842 S C 1.654 176.234 174.600 -0.033 0.000 1.008 842 S CA 0.079 58.336 58.200 0.094 0.000 0.928 842 S CB -0.225 63.074 63.200 0.166 0.000 0.781 842 S HN 0.364 nan 8.310 nan 0.000 0.518 843 I N 2.229 122.723 120.570 -0.127 0.000 2.406 843 I HA 0.026 4.197 4.170 0.002 0.000 0.249 843 I C 2.458 178.606 176.117 0.051 0.000 1.122 843 I CA 0.535 61.813 61.300 -0.037 0.000 1.431 843 I CB -1.611 36.385 38.000 -0.007 0.000 1.087 843 I HN 0.680 nan 8.210 nan 0.000 0.424 844 W N 0.611 121.954 121.300 0.071 0.000 2.737 844 W HA 0.260 4.921 4.660 0.002 0.000 0.262 844 W C 1.788 178.306 176.519 -0.002 0.000 1.282 844 W CA 0.602 57.969 57.345 0.038 0.000 1.386 844 W CB -1.192 28.288 29.460 0.034 0.000 1.099 844 W HN 0.086 nan 8.180 nan 0.000 0.621 845 G N 1.492 110.301 108.800 0.016 0.000 2.403 845 G HA2 0.145 4.106 3.960 0.002 0.000 0.216 845 G HA3 0.145 4.106 3.960 0.002 0.000 0.216 845 G C 0.878 175.563 174.900 -0.359 0.000 1.154 845 G CA 1.271 46.339 45.100 -0.053 0.000 0.784 845 G HN 0.340 nan 8.290 nan 0.000 0.538 846 A N 0.189 122.804 122.820 -0.340 0.000 3.306 846 A HA 0.527 4.848 4.320 0.002 0.000 0.236 846 A C 0.074 177.555 177.584 -0.172 0.000 1.182 846 A CA 0.223 52.051 52.037 -0.348 0.000 1.024 846 A CB -0.280 18.312 19.000 -0.681 0.000 1.384 846 A HN 0.749 nan 8.150 nan 0.000 0.751 847 S N 0.930 116.581 115.700 -0.081 0.000 2.420 847 S HA 0.707 5.178 4.470 0.002 0.000 0.313 847 S C 0.542 175.089 174.600 -0.089 0.000 1.079 847 S CA 0.131 58.298 58.200 -0.055 0.000 1.104 847 S CB 1.220 64.429 63.200 0.014 0.000 0.969 847 S HN 1.846 nan 8.310 nan 0.000 0.471 848 A N 4.882 127.581 122.820 -0.201 0.000 2.586 848 A HA 0.353 4.674 4.320 0.002 0.000 0.231 848 A C -0.798 176.744 177.584 -0.070 0.000 1.055 848 A CA -0.731 51.116 52.037 -0.316 0.000 0.756 848 A CB -0.356 18.354 19.000 -0.483 0.000 0.988 848 A HN 0.825 nan 8.150 nan 0.000 0.509 849 P HA 0.113 nan 4.420 nan 0.000 0.263 849 P C 0.011 177.441 177.300 0.217 0.000 1.448 849 P CA 0.116 63.297 63.100 0.134 0.000 0.983 849 P CB 0.205 32.069 31.700 0.272 0.000 1.481 850 S N 1.253 117.032 115.700 0.131 0.000 2.438 850 S HA 0.547 5.018 4.470 0.002 0.000 0.293 850 S C -0.000 174.666 174.600 0.110 0.000 1.141 850 S CA -0.531 57.777 58.200 0.180 0.000 1.080 850 S CB -0.100 63.205 63.200 0.174 0.000 0.978 850 S HN -0.111 nan 8.310 nan 0.000 0.479 851 M N 7.732 127.424 119.600 0.153 0.000 1.999 851 M HA 0.313 4.794 4.480 0.002 0.000 0.299 851 M C -2.037 174.305 176.300 0.071 0.000 0.900 851 M CA -2.374 52.981 55.300 0.091 0.000 0.904 851 M CB 1.286 33.969 32.600 0.138 0.000 1.477 851 M HN 0.435 nan 8.290 nan 0.000 0.403 852 P HA -0.122 nan 4.420 nan 0.000 0.219 852 P C 0.068 177.260 177.300 -0.180 0.000 1.150 852 P CA 1.124 64.161 63.100 -0.104 0.000 0.814 852 P CB 0.020 31.624 31.700 -0.161 0.000 0.787 853 Y N 2.107 122.357 120.300 -0.084 0.000 2.620 853 Y HA 0.043 4.594 4.550 0.002 0.000 0.330 853 Y C 1.599 177.460 175.900 -0.065 0.000 1.186 853 Y CA 0.428 58.485 58.100 -0.071 0.000 1.467 853 Y CB 0.235 38.649 38.460 -0.077 0.000 1.262 853 Y HN 0.057 nan 8.280 nan 0.000 0.550 854 K N -0.169 120.273 120.400 0.070 0.000 2.466 854 K HA 0.729 5.050 4.320 0.002 0.000 0.260 854 K C -0.852 175.759 176.600 0.019 0.000 1.011 854 K CA -1.070 55.225 56.287 0.014 0.000 0.871 854 K CB 1.543 34.001 32.500 -0.070 0.000 1.404 854 K HN 0.508 nan 8.250 nan 0.000 0.450 855 T N -1.094 113.462 114.554 0.004 0.000 2.902 855 T HA 0.266 4.617 4.350 0.002 0.000 0.280 855 T C 0.243 174.934 174.700 -0.015 0.000 0.992 855 T CA -0.780 61.319 62.100 -0.001 0.000 1.015 855 T CB 0.616 69.483 68.868 -0.002 0.000 1.044 855 T HN 0.753 nan 8.240 nan 0.000 0.520 856 N N 0.266 118.959 118.700 -0.013 0.000 2.418 856 N HA 0.174 4.915 4.740 0.002 0.000 0.283 856 N C 1.286 176.788 175.510 -0.014 0.000 1.267 856 N CA -1.038 52.002 53.050 -0.018 0.000 0.975 856 N CB 0.271 38.749 38.487 -0.014 0.000 1.167 856 N HN 0.848 nan 8.380 nan 0.000 0.581 857 R N -1.531 118.960 120.500 -0.014 0.000 2.193 857 R HA -0.009 4.331 4.340 0.002 0.000 0.229 857 R C 0.384 176.680 176.300 -0.007 0.000 1.110 857 R CA 0.870 56.963 56.100 -0.011 0.000 0.988 857 R CB -0.462 29.830 30.300 -0.013 0.000 0.871 857 R HN 0.319 nan 8.270 nan 0.000 0.458 858 L N 0.724 121.944 121.223 -0.005 0.000 2.611 858 L HA 0.315 4.656 4.340 0.002 0.000 0.229 858 L C 1.168 178.035 176.870 -0.004 0.000 1.137 858 L CA 0.968 55.806 54.840 -0.003 0.000 0.901 858 L CB 0.055 42.115 42.059 0.001 0.000 1.098 858 L HN 0.594 nan 8.230 nan 0.000 0.456 859 G N -0.598 108.198 108.800 -0.006 0.000 2.168 859 G HA2 -0.315 3.646 3.960 0.002 0.000 0.263 859 G HA3 -0.315 3.646 3.960 0.002 0.000 0.263 859 G C 0.480 175.373 174.900 -0.012 0.000 0.977 859 G CA 0.281 45.376 45.100 -0.008 0.000 0.659 859 G HN 0.463 nan 8.290 nan 0.000 0.533 860 Q N -0.234 119.560 119.800 -0.010 0.000 2.259 860 Q HA 0.625 4.966 4.340 0.002 0.000 0.246 860 Q C 0.495 176.489 176.000 -0.009 0.000 0.920 860 Q CA 0.008 55.803 55.803 -0.013 0.000 0.895 860 Q CB 1.893 30.630 28.738 -0.003 0.000 1.220 860 Q HN 0.871 nan 8.270 nan 0.000 0.439 861 G N 1.093 109.882 108.800 -0.018 0.000 2.441 861 G HA2 0.367 4.328 3.960 0.002 0.000 0.294 861 G HA3 0.367 4.328 3.960 0.002 0.000 0.294 861 G C -3.109 171.778 174.900 -0.022 0.000 1.393 861 G CA -1.049 44.052 45.100 0.001 0.000 0.796 861 G HN 0.304 nan 8.290 nan 0.000 0.494 862 P HA 0.420 nan 4.420 nan 0.000 0.271 862 P C -0.088 177.157 177.300 -0.092 0.000 1.233 862 P CA 0.183 63.259 63.100 -0.040 0.000 0.764 862 P CB 1.123 32.831 31.700 0.012 0.000 0.825 863 A N 4.287 126.987 122.820 -0.199 0.000 2.376 863 A HA 0.204 4.525 4.320 0.002 0.000 0.298 863 A C -0.754 176.779 177.584 -0.084 0.000 1.271 863 A CA -0.371 51.549 52.037 -0.195 0.000 0.926 863 A CB -0.599 18.119 19.000 -0.470 0.000 1.141 863 A HN 0.628 nan 8.150 nan 0.000 0.539 864 W N 2.747 123.907 121.300 -0.234 0.000 2.469 864 W HA 0.575 5.236 4.660 0.001 0.000 0.320 864 W C 0.286 176.741 176.519 -0.107 0.000 1.086 864 W CA 0.234 57.423 57.345 -0.261 0.000 1.211 864 W CB 1.743 30.947 29.460 -0.427 0.000 1.298 864 W HN 0.856 nan 8.180 nan 0.000 0.525 865 G N 3.747 112.338 108.800 -0.348 0.000 2.753 865 G HA2 0.258 4.219 3.960 0.002 0.000 0.297 865 G HA3 0.258 4.219 3.960 0.002 0.000 0.297 865 G C -2.173 172.470 174.900 -0.429 0.000 1.430 865 G CA -0.988 44.034 45.100 -0.130 0.000 1.040 865 G HN 0.449 nan 8.290 nan 0.000 0.530 866 N N 0.888 119.464 118.700 -0.207 0.000 2.446 866 N HA 0.489 5.230 4.740 0.002 0.000 0.265 866 N C 0.687 176.070 175.510 -0.213 0.000 0.975 866 N CA -0.117 52.803 53.050 -0.217 0.000 0.928 866 N CB 2.278 40.741 38.487 -0.040 0.000 1.160 866 N HN 0.321 nan 8.380 nan 0.000 0.495 867 S N 3.440 118.846 115.700 -0.490 0.000 2.339 867 S HA 0.489 4.960 4.470 0.002 0.000 0.189 867 S C 0.303 174.730 174.600 -0.289 0.000 0.966 867 S CA 0.250 58.049 58.200 -0.669 0.000 0.925 867 S CB -0.184 62.234 63.200 -1.304 0.000 0.890 867 S HN 0.486 nan 8.310 nan 0.000 0.539 868 L N -1.060 120.039 121.223 -0.206 0.000 2.170 868 L HA 0.502 4.843 4.340 0.002 0.000 0.247 868 L C 0.496 177.414 176.870 0.080 0.000 1.078 868 L CA -0.722 54.091 54.840 -0.044 0.000 0.936 868 L CB 0.513 42.556 42.059 -0.026 0.000 1.528 868 L HN 0.343 nan 8.230 nan 0.000 0.455 869 F N 1.248 121.183 119.950 -0.025 0.000 2.219 869 F HA -0.033 4.495 4.527 0.001 0.000 0.294 869 F C 2.281 178.184 175.800 0.171 0.000 1.086 869 F CA 1.414 59.439 58.000 0.042 0.000 1.330 869 F CB -0.070 38.964 39.000 0.055 0.000 1.047 869 F HN 0.621 nan 8.300 nan 0.000 0.495 870 E N 0.026 120.247 120.200 0.036 0.000 2.358 870 E HA -0.127 4.224 4.350 0.002 0.000 0.195 870 E C 0.545 177.213 176.600 0.113 0.000 1.010 870 E CA 1.231 57.609 56.400 -0.036 0.000 0.856 870 E CB -0.731 28.921 29.700 -0.081 0.000 0.795 870 E HN 0.558 nan 8.360 nan 0.000 0.504 871 D N 0.264 120.732 120.400 0.114 0.000 2.440 871 D HA 0.245 4.886 4.640 0.002 0.000 0.216 871 D C 1.448 177.846 176.300 0.163 0.000 1.150 871 D CA 0.398 54.474 54.000 0.127 0.000 0.832 871 D CB 0.394 41.213 40.800 0.033 0.000 0.992 871 D HN 0.111 nan 8.370 nan 0.000 0.502 872 A N 1.329 124.202 122.820 0.088 0.000 1.892 872 A HA -0.065 4.256 4.320 0.002 0.000 0.218 872 A C 2.426 180.077 177.584 0.112 0.000 1.188 872 A CA 2.466 54.456 52.037 -0.078 0.000 0.631 872 A CB -0.976 17.604 19.000 -0.699 0.000 0.822 872 A HN 0.387 nan 8.150 nan 0.000 0.447 873 A N 0.582 123.633 122.820 0.385 0.000 1.883 873 A HA -0.211 4.110 4.320 0.002 0.000 0.217 873 A C 1.970 179.709 177.584 0.257 0.000 1.186 873 A CA 1.942 54.209 52.037 0.384 0.000 0.624 873 A CB -0.553 18.730 19.000 0.472 0.000 0.822 873 A HN 0.715 nan 8.150 nan 0.000 0.444 874 E N -1.409 118.934 120.200 0.238 0.000 2.208 874 E HA -0.194 4.157 4.350 0.002 0.000 0.193 874 E C 1.870 178.631 176.600 0.268 0.000 0.988 874 E CA 1.209 57.752 56.400 0.240 0.000 0.828 874 E CB -0.685 29.110 29.700 0.158 0.000 0.763 874 E HN 0.667 nan 8.360 nan 0.000 0.478 875 Y N 2.705 123.043 120.300 0.062 0.000 2.145 875 Y HA 0.007 4.558 4.550 0.002 0.000 0.286 875 Y C 2.484 178.380 175.900 -0.007 0.000 1.145 875 Y CA 1.630 59.733 58.100 0.005 0.000 1.148 875 Y CB -0.800 37.627 38.460 -0.055 0.000 0.981 875 Y HN 0.080 nan 8.280 nan 0.000 0.507 876 G N -1.113 107.692 108.800 0.008 0.000 2.421 876 G HA2 -0.283 3.678 3.960 0.002 0.000 0.217 876 G HA3 -0.283 3.678 3.960 0.002 0.000 0.217 876 G C 1.641 176.512 174.900 -0.049 0.000 1.143 876 G CA 0.576 45.605 45.100 -0.118 0.000 0.784 876 G HN 0.456 nan 8.290 nan 0.000 0.541 877 F N 2.507 122.422 119.950 -0.059 0.000 2.186 877 F HA 0.069 4.597 4.527 0.002 0.000 0.299 877 F C 2.471 178.228 175.800 -0.071 0.000 1.090 877 F CA 1.260 59.227 58.000 -0.055 0.000 1.307 877 F CB -0.398 38.599 39.000 -0.004 0.000 1.019 877 F HN 0.103 nan 8.300 nan 0.000 0.489 878 G N 0.279 109.025 108.800 -0.089 0.000 2.402 878 G HA2 -0.246 3.715 3.960 0.002 0.000 0.216 878 G HA3 -0.246 3.715 3.960 0.002 0.000 0.216 878 G C 1.692 176.451 174.900 -0.235 0.000 1.162 878 G CA 0.933 45.943 45.100 -0.150 0.000 0.777 878 G HN 0.368 nan 8.290 nan 0.000 0.539 879 M N 1.016 120.446 119.600 -0.284 0.000 2.106 879 M HA -0.132 4.349 4.480 0.002 0.000 0.259 879 M C 2.433 178.456 176.300 -0.463 0.000 1.068 879 M CA 1.620 56.670 55.300 -0.415 0.000 1.100 879 M CB -0.505 31.757 32.600 -0.563 0.000 1.351 879 M HN 0.382 nan 8.290 nan 0.000 0.404 880 N N 0.808 119.259 118.700 -0.414 0.000 2.216 880 N HA -0.124 4.617 4.740 0.002 0.000 0.183 880 N C 1.642 176.967 175.510 -0.308 0.000 1.017 880 N CA 1.242 54.077 53.050 -0.358 0.000 0.861 880 N CB -0.090 38.199 38.487 -0.329 0.000 0.986 880 N HN 0.396 nan 8.380 nan 0.000 0.428 881 M N 0.270 119.627 119.600 -0.405 0.000 2.213 881 M HA -0.103 4.378 4.480 0.002 0.000 0.263 881 M C 2.435 178.677 176.300 -0.096 0.000 1.062 881 M CA 1.073 56.200 55.300 -0.289 0.000 1.105 881 M CB -0.147 32.255 32.600 -0.329 0.000 1.385 881 M HN 0.181 nan 8.290 nan 0.000 0.417 882 S N 0.215 115.831 115.700 -0.140 0.000 2.355 882 S HA -0.117 4.353 4.470 0.002 0.000 0.222 882 S C 1.895 176.460 174.600 -0.058 0.000 1.031 882 S CA 1.076 59.225 58.200 -0.085 0.000 0.993 882 S CB 0.053 63.186 63.200 -0.112 0.000 0.859 882 S HN 0.308 nan 8.310 nan 0.000 0.453 883 M N 0.424 119.959 119.600 -0.108 0.000 2.213 883 M HA 0.023 4.504 4.480 0.002 0.000 0.263 883 M C 1.906 178.216 176.300 0.016 0.000 1.062 883 M CA 1.099 56.368 55.300 -0.051 0.000 1.105 883 M CB -1.644 30.894 32.600 -0.103 0.000 1.385 883 M HN 0.498 nan 8.290 nan 0.000 0.417 884 F N 1.185 121.072 119.950 -0.104 0.000 2.102 884 F HA -0.104 4.424 4.527 0.002 0.000 0.298 884 F C 2.329 178.113 175.800 -0.026 0.000 1.105 884 F CA 1.735 59.693 58.000 -0.070 0.000 1.239 884 F CB -0.380 38.552 39.000 -0.113 0.000 0.991 884 F HN 0.115 nan 8.300 nan 0.000 0.474 885 A N 0.446 123.244 122.820 -0.036 0.000 1.897 885 A HA -0.100 4.221 4.320 0.002 0.000 0.215 885 A C 2.328 179.875 177.584 -0.061 0.000 1.181 885 A CA 1.416 53.399 52.037 -0.090 0.000 0.620 885 A CB -0.592 18.418 19.000 0.018 0.000 0.821 885 A HN 0.437 nan 8.150 nan 0.000 0.443 886 R N -0.727 119.767 120.500 -0.010 0.000 2.090 886 R HA 0.018 4.359 4.340 0.002 0.000 0.228 886 R C 2.311 178.632 176.300 0.034 0.000 1.110 886 R CA 1.204 57.328 56.100 0.041 0.000 0.973 886 R CB -0.213 30.108 30.300 0.034 0.000 0.869 886 R HN 0.436 nan 8.270 nan 0.000 0.440 887 R N -0.378 120.132 120.500 0.016 0.000 2.153 887 R HA 0.016 4.357 4.340 0.002 0.000 0.218 887 R C 1.880 178.216 176.300 0.060 0.000 1.072 887 R CA 1.167 57.323 56.100 0.094 0.000 0.990 887 R CB -0.052 30.337 30.300 0.149 0.000 0.889 887 R HN 0.134 nan 8.270 nan 0.000 0.452 888 T N -0.341 114.139 114.554 -0.123 0.000 2.857 888 T HA -0.144 4.207 4.350 0.002 0.000 0.266 888 T C 1.562 176.261 174.700 -0.002 0.000 1.048 888 T CA 1.043 63.034 62.100 -0.182 0.000 1.139 888 T CB -0.186 68.387 68.868 -0.492 0.000 0.874 888 T HN 0.453 nan 8.240 nan 0.000 0.455 889 H N 0.179 119.193 119.070 -0.093 0.000 2.357 889 H HA -0.026 4.531 4.556 0.002 0.000 0.301 889 H C 2.334 177.641 175.328 -0.036 0.000 1.082 889 H CA 0.876 56.890 56.048 -0.057 0.000 1.342 889 H CB -0.059 29.671 29.762 -0.053 0.000 1.389 889 H HN 0.159 nan 8.280 nan 0.000 0.511 890 L N 1.250 122.447 121.223 -0.042 0.000 2.042 890 L HA -0.110 4.231 4.340 0.002 0.000 0.210 890 L C 2.530 179.362 176.870 -0.063 0.000 1.076 890 L CA 1.989 56.739 54.840 -0.150 0.000 0.749 890 L CB -1.064 40.877 42.059 -0.196 0.000 0.893 890 L HN 0.337 nan 8.230 nan 0.000 0.432 891 A N -0.967 121.927 122.820 0.124 0.000 1.933 891 A HA -0.201 4.120 4.320 0.002 0.000 0.218 891 A C 1.959 179.607 177.584 0.106 0.000 1.175 891 A CA 1.805 53.984 52.037 0.237 0.000 0.628 891 A CB -0.791 18.373 19.000 0.274 0.000 0.814 891 A HN 0.532 nan 8.150 nan 0.000 0.444 892 D N -0.476 119.968 120.400 0.074 0.000 2.144 892 D HA -0.066 4.575 4.640 0.002 0.000 0.200 892 D C 1.710 178.036 176.300 0.043 0.000 0.978 892 D CA 0.649 54.684 54.000 0.058 0.000 0.833 892 D CB -0.193 40.650 40.800 0.071 0.000 0.961 892 D HN 0.250 nan 8.370 nan 0.000 0.470 893 L N 0.845 122.083 121.223 0.025 0.000 2.056 893 L HA -0.033 4.308 4.340 0.002 0.000 0.207 893 L C 2.350 179.202 176.870 -0.030 0.000 1.078 893 L CA 1.240 56.069 54.840 -0.018 0.000 0.749 893 L CB -1.215 40.788 42.059 -0.093 0.000 0.901 893 L HN -0.044 nan 8.230 nan 0.000 0.433 894 A N -0.749 122.050 122.820 -0.035 0.000 1.902 894 A HA -0.149 4.171 4.320 0.002 0.000 0.217 894 A C 2.436 180.022 177.584 0.003 0.000 1.181 894 A CA 1.805 53.825 52.037 -0.028 0.000 0.623 894 A CB -0.865 18.144 19.000 0.014 0.000 0.818 894 A HN 0.389 nan 8.150 nan 0.000 0.443 895 A N -0.655 122.179 122.820 0.024 0.000 2.015 895 A HA -0.080 4.241 4.320 0.002 0.000 0.219 895 A C 2.080 179.666 177.584 0.004 0.000 1.163 895 A CA 1.638 53.685 52.037 0.016 0.000 0.646 895 A CB -0.280 18.733 19.000 0.022 0.000 0.806 895 A HN 0.559 nan 8.150 nan 0.000 0.448 896 K N -0.532 119.869 120.400 0.003 0.000 2.137 896 K HA 0.151 4.472 4.320 0.002 0.000 0.202 896 K C 2.206 178.801 176.600 -0.008 0.000 1.052 896 K CA 0.783 57.070 56.287 -0.001 0.000 0.961 896 K CB -0.193 32.309 32.500 0.004 0.000 0.741 896 K HN 0.370 nan 8.250 nan 0.000 0.452 897 A N 1.452 124.263 122.820 -0.016 0.000 2.070 897 A HA -0.097 4.224 4.320 0.002 0.000 0.220 897 A C 1.941 179.514 177.584 -0.019 0.000 1.159 897 A CA 1.096 53.120 52.037 -0.022 0.000 0.656 897 A CB -0.589 18.390 19.000 -0.036 0.000 0.800 897 A HN 0.168 nan 8.150 nan 0.000 0.453 898 L N -0.983 120.230 121.223 -0.016 0.000 2.465 898 L HA -0.079 4.262 4.340 0.002 0.000 0.224 898 L C 1.850 178.713 176.870 -0.012 0.000 1.145 898 L CA 0.900 55.730 54.840 -0.016 0.000 0.834 898 L CB -0.250 41.800 42.059 -0.014 0.000 0.944 898 L HN 0.463 nan 8.230 nan 0.000 0.451 899 E N -0.843 119.351 120.200 -0.010 0.000 2.481 899 E HA 0.031 4.382 4.350 0.002 0.000 0.198 899 E C 1.053 177.648 176.600 -0.008 0.000 1.027 899 E CA -0.042 56.353 56.400 -0.008 0.000 0.900 899 E CB 0.579 30.276 29.700 -0.006 0.000 0.993 899 E HN 0.401 nan 8.360 nan 0.000 0.482 900 S N 1.222 116.916 115.700 -0.010 0.000 2.607 900 S HA 0.039 4.510 4.470 0.002 0.000 0.272 900 S C 0.735 175.330 174.600 -0.009 0.000 1.166 900 S CA -0.357 57.838 58.200 -0.010 0.000 1.021 900 S CB 0.763 63.956 63.200 -0.012 0.000 1.113 900 S HN 0.105 nan 8.310 nan 0.000 0.531 901 D N -0.191 120.204 120.400 -0.009 0.000 2.463 901 D HA 0.315 4.956 4.640 0.002 0.000 0.224 901 D C 0.561 176.856 176.300 -0.008 0.000 1.174 901 D CA -0.299 53.697 54.000 -0.008 0.000 0.829 901 D CB -0.476 40.320 40.800 -0.006 0.000 0.993 901 D HN 0.652 nan 8.370 nan 0.000 0.497 902 A N 1.036 123.850 122.820 -0.011 0.000 2.466 902 A HA 0.383 4.704 4.320 0.002 0.000 0.238 902 A C 0.945 178.523 177.584 -0.010 0.000 1.074 902 A CA -0.050 51.980 52.037 -0.012 0.000 0.774 902 A CB 0.169 19.159 19.000 -0.017 0.000 1.015 902 A HN 0.430 nan 8.150 nan 0.000 0.498 903 S N 1.205 116.900 115.700 -0.008 0.000 2.550 903 S HA 0.163 4.634 4.470 0.002 0.000 0.285 903 S C 1.340 175.937 174.600 -0.005 0.000 1.326 903 S CA 0.092 58.289 58.200 -0.004 0.000 1.037 903 S CB 0.355 63.555 63.200 -0.001 0.000 0.838 903 S HN 1.588 nan 8.310 nan 0.000 0.519 904 G N 1.086 109.885 108.800 -0.002 0.000 2.443 904 G HA2 -0.126 3.835 3.960 0.002 0.000 0.219 904 G HA3 -0.126 3.835 3.960 0.002 0.000 0.219 904 G C 0.967 175.868 174.900 0.002 0.000 1.131 904 G CA 0.668 45.767 45.100 -0.001 0.000 0.775 904 G HN 0.782 nan 8.290 nan 0.000 0.547 905 D N 0.152 120.555 120.400 0.006 0.000 2.123 905 D HA -0.048 4.593 4.640 0.002 0.000 0.200 905 D C 2.773 179.080 176.300 0.011 0.000 0.976 905 D CA 0.415 54.424 54.000 0.015 0.000 0.831 905 D CB -0.247 40.564 40.800 0.018 0.000 0.974 905 D HN 0.171 nan 8.370 nan 0.000 0.469 906 V N 1.277 121.191 119.914 0.000 0.000 2.261 906 V HA -0.241 3.880 4.120 0.002 0.000 0.246 906 V C 2.319 178.399 176.094 -0.023 0.000 1.047 906 V CA 1.638 63.930 62.300 -0.012 0.000 1.015 906 V CB -0.308 31.505 31.823 -0.017 0.000 0.642 906 V HN 0.168 nan 8.190 nan 0.000 0.446 907 K N -0.396 119.992 120.400 -0.020 0.000 2.147 907 K HA -0.223 4.098 4.320 0.002 0.000 0.205 907 K C 2.211 178.789 176.600 -0.036 0.000 1.049 907 K CA 1.576 57.846 56.287 -0.028 0.000 0.936 907 K CB -0.154 32.333 32.500 -0.021 0.000 0.722 907 K HN 0.546 nan 8.250 nan 0.000 0.446 908 E N 0.681 120.866 120.200 -0.025 0.000 2.072 908 E HA -0.161 4.190 4.350 0.002 0.000 0.191 908 E C 1.888 178.446 176.600 -0.071 0.000 0.985 908 E CA 0.949 57.329 56.400 -0.033 0.000 0.801 908 E CB 0.016 29.720 29.700 0.006 0.000 0.750 908 E HN 0.312 nan 8.360 nan 0.000 0.452 909 A N 0.615 123.426 122.820 -0.015 0.000 1.968 909 A HA -0.100 4.221 4.320 0.002 0.000 0.217 909 A C 2.002 179.546 177.584 -0.067 0.000 1.169 909 A CA 0.648 52.702 52.037 0.028 0.000 0.638 909 A CB -0.299 18.762 19.000 0.100 0.000 0.812 909 A HN 0.291 nan 8.150 nan 0.000 0.446 910 L N -0.178 121.006 121.223 -0.066 0.000 2.072 910 L HA -0.111 4.230 4.340 0.002 0.000 0.205 910 L C 2.520 179.368 176.870 -0.035 0.000 1.079 910 L CA 1.918 56.731 54.840 -0.045 0.000 0.752 910 L CB -0.781 41.246 42.059 -0.053 0.000 0.906 910 L HN 0.480 nan 8.230 nan 0.000 0.436 911 Q N -1.419 118.319 119.800 -0.103 0.000 2.167 911 Q HA -0.081 4.260 4.340 0.002 0.000 0.202 911 Q C 2.071 177.922 176.000 -0.248 0.000 0.970 911 Q CA 1.114 56.843 55.803 -0.125 0.000 0.855 911 Q CB -0.381 28.288 28.738 -0.115 0.000 0.911 911 Q HN 0.615 nan 8.270 nan 0.000 0.438 912 G N 0.285 108.788 108.800 -0.495 0.000 2.414 912 G HA2 -0.267 3.694 3.960 0.002 0.000 0.215 912 G HA3 -0.267 3.694 3.960 0.002 0.000 0.215 912 G C 0.978 175.526 174.900 -0.585 0.000 1.188 912 G CA 0.434 44.872 45.100 -1.103 0.000 0.783 912 G HN 0.459 nan 8.290 nan 0.000 0.537 913 W N 0.662 121.722 121.300 -0.399 0.000 2.338 913 W HA -0.049 4.612 4.660 0.002 0.000 0.304 913 W C 2.168 178.619 176.519 -0.113 0.000 1.212 913 W CA 0.800 58.065 57.345 -0.133 0.000 1.264 913 W CB -0.183 29.186 29.460 -0.152 0.000 1.142 913 W HN 0.085 nan 8.180 nan 0.000 0.512 914 L N 0.814 122.057 121.223 0.035 0.000 2.079 914 L HA -0.134 4.207 4.340 0.002 0.000 0.210 914 L C 2.476 179.214 176.870 -0.219 0.000 1.081 914 L CA 2.292 57.090 54.840 -0.071 0.000 0.752 914 L CB -1.902 40.171 42.059 0.023 0.000 0.896 914 L HN 0.181 nan 8.230 nan 0.000 0.433 915 A N -1.472 121.226 122.820 -0.204 0.000 1.975 915 A HA 0.165 4.486 4.320 0.002 0.000 0.215 915 A C 1.889 179.368 177.584 -0.175 0.000 1.170 915 A CA 1.083 53.020 52.037 -0.167 0.000 0.656 915 A CB -0.539 18.383 19.000 -0.131 0.000 0.821 915 A HN 0.418 nan 8.150 nan 0.000 0.449 916 G N 0.070 108.741 108.800 -0.214 0.000 3.899 916 G HA2 0.257 4.218 3.960 0.002 0.000 0.293 916 G HA3 0.257 4.218 3.960 0.002 0.000 0.293 916 G C 0.972 175.670 174.900 -0.337 0.000 1.054 916 G CA 0.438 45.434 45.100 -0.173 0.000 0.846 916 G HN 0.637 nan 8.290 nan 0.000 0.525 917 K N -0.195 119.849 120.400 -0.595 0.000 2.160 917 K HA -0.111 4.210 4.320 0.002 0.000 0.206 917 K C 1.190 177.518 176.600 -0.454 0.000 1.047 917 K CA 1.593 57.313 56.287 -0.946 0.000 0.930 917 K CB -0.199 31.541 32.500 -1.265 0.000 0.720 917 K HN 0.286 nan 8.250 nan 0.000 0.450 918 N N 0.741 119.286 118.700 -0.258 0.000 2.235 918 N HA -0.001 4.740 4.740 0.002 0.000 0.209 918 N C -0.958 174.509 175.510 -0.071 0.000 1.122 918 N CA -0.271 52.707 53.050 -0.121 0.000 0.845 918 N CB 0.426 38.859 38.487 -0.089 0.000 1.004 918 N HN 0.201 nan 8.380 nan 0.000 0.499 919 D N 0.984 121.334 120.400 -0.083 0.000 2.329 919 D HA 0.133 4.774 4.640 0.002 0.000 0.232 919 D C -1.602 174.702 176.300 0.007 0.000 1.088 919 D CA -2.570 51.413 54.000 -0.028 0.000 0.835 919 D CB 1.643 42.425 40.800 -0.031 0.000 1.078 919 D HN -0.024 nan 8.370 nan 0.000 0.495 920 P HA -0.109 nan 4.420 nan 0.000 0.219 920 P C 1.487 178.834 177.300 0.078 0.000 1.146 920 P CA 0.912 64.061 63.100 0.082 0.000 0.808 920 P CB 0.648 32.417 31.700 0.114 0.000 0.779 921 I N -0.799 119.805 120.570 0.057 0.000 2.385 921 I HA -0.050 4.121 4.170 0.002 0.000 0.244 921 I C 2.387 178.522 176.117 0.030 0.000 1.089 921 I CA 0.854 62.179 61.300 0.041 0.000 1.410 921 I CB -0.397 37.621 38.000 0.030 0.000 1.117 921 I HN -0.227 nan 8.210 nan 0.000 0.429 922 K N 1.078 121.502 120.400 0.039 0.000 2.148 922 K HA -0.092 4.229 4.320 0.002 0.000 0.204 922 K C 2.263 178.950 176.600 0.146 0.000 1.050 922 K CA 1.732 58.071 56.287 0.087 0.000 0.942 922 K CB -0.511 32.063 32.500 0.122 0.000 0.724 922 K HN 0.409 nan 8.250 nan 0.000 0.446 923 S N 0.793 116.531 115.700 0.065 0.000 2.402 923 S HA -0.099 4.372 4.470 0.002 0.000 0.229 923 S C 2.068 176.837 174.600 0.282 0.000 1.021 923 S CA 1.019 59.267 58.200 0.079 0.000 0.974 923 S CB 0.015 63.227 63.200 0.020 0.000 0.800 923 S HN 0.249 nan 8.310 nan 0.000 0.484 924 K N 1.135 121.644 120.400 0.182 0.000 2.098 924 K HA 0.022 4.343 4.320 0.002 0.000 0.203 924 K C 2.368 179.032 176.600 0.107 0.000 1.051 924 K CA 1.006 57.396 56.287 0.172 0.000 0.957 924 K CB -0.242 32.328 32.500 0.117 0.000 0.738 924 K HN 0.550 nan 8.250 nan 0.000 0.447 925 E N -0.489 119.714 120.200 0.005 0.000 2.097 925 E HA -0.226 4.125 4.350 0.002 0.000 0.196 925 E C 1.428 177.907 176.600 -0.202 0.000 1.000 925 E CA 1.509 57.810 56.400 -0.165 0.000 0.804 925 E CB -0.019 29.469 29.700 -0.353 0.000 0.740 925 E HN 0.367 nan 8.360 nan 0.000 0.454 926 Y N -0.812 119.546 120.300 0.096 0.000 2.448 926 Y HA 0.182 4.733 4.550 0.002 0.000 0.289 926 Y C 2.272 178.213 175.900 0.068 0.000 1.114 926 Y CA 0.805 58.960 58.100 0.091 0.000 1.235 926 Y CB -0.392 38.138 38.460 0.117 0.000 1.045 926 Y HN 0.127 nan 8.280 nan 0.000 0.554 927 G N -0.051 108.916 108.800 0.278 0.000 2.402 927 G HA2 -0.211 3.750 3.960 0.002 0.000 0.216 927 G HA3 -0.211 3.750 3.960 0.002 0.000 0.216 927 G C 1.204 176.220 174.900 0.194 0.000 1.162 927 G CA 1.235 46.420 45.100 0.142 0.000 0.777 927 G HN 0.249 nan 8.290 nan 0.000 0.539 928 D N 0.663 121.166 120.400 0.171 0.000 2.178 928 D HA -0.028 4.613 4.640 0.002 0.000 0.202 928 D C 2.416 178.770 176.300 0.092 0.000 0.974 928 D CA 0.742 54.820 54.000 0.131 0.000 0.841 928 D CB -0.113 40.735 40.800 0.080 0.000 0.953 928 D HN 0.300 nan 8.370 nan 0.000 0.478 929 K N -0.006 120.438 120.400 0.073 0.000 2.097 929 K HA -0.076 4.245 4.320 0.002 0.000 0.205 929 K C 1.838 178.469 176.600 0.052 0.000 1.050 929 K CA 0.337 56.662 56.287 0.063 0.000 0.938 929 K CB -0.036 32.520 32.500 0.092 0.000 0.718 929 K HN 0.013 nan 8.250 nan 0.000 0.442 930 L N 1.756 122.989 121.223 0.017 0.000 2.201 930 L HA -0.119 4.222 4.340 0.002 0.000 0.212 930 L C 1.726 178.659 176.870 0.105 0.000 1.105 930 L CA 1.669 56.483 54.840 -0.044 0.000 0.775 930 L CB -0.295 41.535 42.059 -0.382 0.000 0.913 930 L HN 0.052 nan 8.230 nan 0.000 0.440 931 K N -0.922 119.592 120.400 0.190 0.000 2.097 931 K HA -0.151 4.170 4.320 0.002 0.000 0.205 931 K C 2.037 178.688 176.600 0.085 0.000 1.050 931 K CA 1.185 57.579 56.287 0.179 0.000 0.938 931 K CB 0.047 32.638 32.500 0.151 0.000 0.718 931 K HN 0.274 nan 8.250 nan 0.000 0.442 932 K N 0.796 121.235 120.400 0.064 0.000 1.991 932 K HA -0.013 4.308 4.320 0.002 0.000 0.207 932 K C 2.081 178.700 176.600 0.031 0.000 1.045 932 K CA 0.950 57.261 56.287 0.039 0.000 0.937 932 K CB -0.126 32.394 32.500 0.034 0.000 0.720 932 K HN 0.003 nan 8.250 nan 0.000 0.438 933 L N 1.073 122.313 121.223 0.029 0.000 2.127 933 L HA -0.175 4.166 4.340 0.002 0.000 0.211 933 L C 1.929 178.808 176.870 0.015 0.000 1.089 933 L CA 1.048 55.899 54.840 0.019 0.000 0.757 933 L CB -0.323 41.745 42.059 0.014 0.000 0.899 933 L HN 0.206 nan 8.230 nan 0.000 0.434 934 L N -0.536 120.701 121.223 0.023 0.000 2.607 934 L HA 0.255 4.596 4.340 0.002 0.000 0.228 934 L C 1.194 178.075 176.870 0.017 0.000 1.123 934 L CA -0.639 54.213 54.840 0.020 0.000 0.890 934 L CB -0.252 41.826 42.059 0.032 0.000 1.103 934 L HN 0.082 nan 8.230 nan 0.000 0.468 935 A N 0.276 123.107 122.820 0.019 0.000 2.565 935 A HA 0.340 4.661 4.320 0.002 0.000 0.237 935 A C 1.539 179.125 177.584 0.002 0.000 1.053 935 A CA 0.857 52.900 52.037 0.010 0.000 0.755 935 A CB -0.180 18.826 19.000 0.011 0.000 0.980 935 A HN 0.610 nan 8.150 nan 0.000 0.506 936 G N 0.491 109.289 108.800 -0.003 0.000 2.220 936 G HA2 -0.291 3.670 3.960 0.002 0.000 0.269 936 G HA3 -0.291 3.670 3.960 0.002 0.000 0.269 936 G C 0.456 175.352 174.900 -0.007 0.000 0.977 936 G CA 0.909 46.006 45.100 -0.006 0.000 0.634 936 G HN 1.255 nan 8.290 nan 0.000 0.539 937 Q N 0.557 120.353 119.800 -0.006 0.000 2.281 937 Q HA 0.539 4.880 4.340 0.002 0.000 0.267 937 Q C 1.197 177.189 176.000 -0.013 0.000 1.053 937 Q CA 0.231 56.029 55.803 -0.008 0.000 0.905 937 Q CB 0.698 29.432 28.738 -0.007 0.000 1.195 937 Q HN 0.206 nan 8.270 nan 0.000 0.398 938 K N 2.364 122.756 120.400 -0.013 0.000 2.412 938 K HA 0.258 4.579 4.320 0.002 0.000 0.202 938 K C -0.649 175.942 176.600 -0.015 0.000 1.102 938 K CA 0.215 56.493 56.287 -0.015 0.000 1.027 938 K CB 0.737 33.229 32.500 -0.013 0.000 0.931 938 K HN 0.584 nan 8.250 nan 0.000 0.557 939 D N 0.556 120.948 120.400 -0.013 0.000 2.350 939 D HA 0.455 5.096 4.640 0.002 0.000 0.245 939 D C 0.595 176.887 176.300 -0.013 0.000 1.036 939 D CA 0.127 54.120 54.000 -0.012 0.000 0.848 939 D CB 2.140 42.934 40.800 -0.009 0.000 1.307 939 D HN 0.137 nan 8.370 nan 0.000 0.469 940 G N 0.606 109.398 108.800 -0.013 0.000 2.693 940 G HA2 -0.278 3.683 3.960 0.002 0.000 0.226 940 G HA3 -0.278 3.683 3.960 0.002 0.000 0.226 940 G C 0.955 175.844 174.900 -0.018 0.000 1.354 940 G CA -0.261 44.831 45.100 -0.013 0.000 0.873 940 G HN 0.510 nan 8.290 nan 0.000 0.562 941 L N -0.968 120.244 121.223 -0.018 0.000 2.089 941 L HA -0.177 4.164 4.340 0.002 0.000 0.213 941 L C 3.001 179.848 176.870 -0.038 0.000 1.079 941 L CA 1.846 56.670 54.840 -0.026 0.000 0.758 941 L CB -0.415 41.631 42.059 -0.022 0.000 0.891 941 L HN 0.494 nan 8.230 nan 0.000 0.433 942 L N -0.786 120.418 121.223 -0.032 0.000 2.179 942 L HA -0.022 4.319 4.340 0.002 0.000 0.208 942 L C 2.481 179.334 176.870 -0.029 0.000 1.096 942 L CA 1.782 56.602 54.840 -0.032 0.000 0.779 942 L CB -1.218 40.826 42.059 -0.024 0.000 0.922 942 L HN 0.148 nan 8.230 nan 0.000 0.443 943 G N -1.725 107.059 108.800 -0.027 0.000 2.421 943 G HA2 -0.204 3.757 3.960 0.002 0.000 0.217 943 G HA3 -0.204 3.757 3.960 0.002 0.000 0.217 943 G C 1.468 176.345 174.900 -0.039 0.000 1.143 943 G CA 0.271 45.355 45.100 -0.027 0.000 0.784 943 G HN 0.415 nan 8.290 nan 0.000 0.541 944 Q N -0.278 119.494 119.800 -0.047 0.000 2.083 944 Q HA 0.094 4.435 4.340 0.002 0.000 0.198 944 Q C 2.523 178.467 176.000 -0.093 0.000 0.969 944 Q CA 0.728 56.489 55.803 -0.070 0.000 0.838 944 Q CB -0.118 28.575 28.738 -0.075 0.000 0.900 944 Q HN 0.483 nan 8.270 nan 0.000 0.436 945 I N 0.706 121.228 120.570 -0.079 0.000 2.394 945 I HA -0.236 3.935 4.170 0.002 0.000 0.251 945 I C 2.297 178.413 176.117 -0.002 0.000 1.136 945 I CA 0.794 62.053 61.300 -0.069 0.000 1.425 945 I CB -0.251 37.701 38.000 -0.080 0.000 1.079 945 I HN 0.153 nan 8.210 nan 0.000 0.425 946 A N 0.571 123.385 122.820 -0.009 0.000 1.969 946 A HA -0.024 4.297 4.320 0.002 0.000 0.218 946 A C 2.413 179.948 177.584 -0.082 0.000 1.169 946 A CA 1.433 53.469 52.037 -0.001 0.000 0.635 946 A CB -0.553 18.444 19.000 -0.005 0.000 0.810 946 A HN 0.405 nan 8.150 nan 0.000 0.445 947 A N -1.125 121.641 122.820 -0.089 0.000 2.209 947 A HA 0.210 4.531 4.320 0.002 0.000 0.212 947 A C 1.717 179.206 177.584 -0.159 0.000 1.158 947 A CA 0.919 52.891 52.037 -0.109 0.000 0.742 947 A CB -0.479 18.473 19.000 -0.080 0.000 0.790 947 A HN 0.494 nan 8.150 nan 0.000 0.472 948 M N 0.068 119.548 119.600 -0.201 0.000 2.475 948 M HA 0.017 4.498 4.480 0.002 0.000 0.261 948 M C 1.721 177.686 176.300 -0.557 0.000 1.177 948 M CA 0.464 55.611 55.300 -0.255 0.000 0.979 948 M CB 0.217 32.709 32.600 -0.180 0.000 1.482 948 M HN 0.527 nan 8.290 nan 0.000 0.484 949 S N 0.346 115.577 115.700 -0.782 0.000 2.419 949 S HA -0.178 4.293 4.470 0.002 0.000 0.235 949 S C 1.293 175.447 174.600 -0.743 0.000 1.019 949 S CA 1.641 58.991 58.200 -1.417 0.000 0.982 949 S CB -0.564 62.150 63.200 -0.810 0.000 0.789 949 S HN 0.616 nan 8.310 nan 0.000 0.490 950 D N 1.244 121.421 120.400 -0.371 0.000 2.378 950 D HA -0.000 4.641 4.640 0.002 0.000 0.227 950 D C 1.343 177.597 176.300 -0.076 0.000 1.012 950 D CA 0.346 54.243 54.000 -0.172 0.000 0.905 950 D CB -0.435 40.302 40.800 -0.104 0.000 0.895 950 D HN 0.517 nan 8.370 nan 0.000 0.532 951 L N -1.279 119.877 121.223 -0.113 0.000 2.672 951 L HA 0.109 4.450 4.340 0.002 0.000 0.236 951 L C 1.499 178.521 176.870 0.254 0.000 1.092 951 L CA -0.301 54.578 54.840 0.066 0.000 0.887 951 L CB -0.095 41.987 42.059 0.037 0.000 1.168 951 L HN -0.134 nan 8.230 nan 0.000 0.502 952 Y N 0.920 121.263 120.300 0.072 0.000 2.040 952 Y HA -0.224 4.326 4.550 0.002 0.000 0.275 952 Y C 2.039 178.244 175.900 0.507 0.000 1.171 952 Y CA 0.934 59.154 58.100 0.199 0.000 1.123 952 Y CB -1.332 37.152 38.460 0.040 0.000 0.963 952 Y HN 0.112 nan 8.280 nan 0.000 0.493 953 T N 1.547 116.375 114.554 0.456 0.000 2.884 953 T HA 0.103 4.454 4.350 0.002 0.000 0.298 953 T C 0.042 174.902 174.700 0.266 0.000 0.998 953 T CA -0.908 61.391 62.100 0.331 0.000 1.124 953 T CB 0.571 69.576 68.868 0.229 0.000 0.931 953 T HN 0.109 nan 8.240 nan 0.000 0.531 954 K N 3.959 124.482 120.400 0.205 0.000 2.491 954 K HA 0.024 4.345 4.320 0.002 0.000 0.279 954 K C 0.312 177.011 176.600 0.166 0.000 1.026 954 K CA -0.023 56.355 56.287 0.152 0.000 1.070 954 K CB 0.331 32.881 32.500 0.083 0.000 0.887 954 K HN 0.573 nan 8.250 nan 0.000 0.481 955 K N 1.433 121.940 120.400 0.179 0.000 2.102 955 K HA 0.122 4.443 4.320 0.002 0.000 0.244 955 K C -0.076 176.634 176.600 0.183 0.000 1.021 955 K CA -0.358 56.069 56.287 0.233 0.000 0.913 955 K CB 1.331 34.045 32.500 0.356 0.000 1.062 955 K HN 0.450 nan 8.250 nan 0.000 0.485 956 S N 0.877 116.725 115.700 0.247 0.000 2.664 956 S HA 0.243 4.714 4.470 0.002 0.000 0.262 956 S C -0.974 173.777 174.600 0.252 0.000 1.229 956 S CA -0.709 57.607 58.200 0.193 0.000 1.151 956 S CB 0.210 63.566 63.200 0.261 0.000 1.054 956 S HN 0.240 nan 8.310 nan 0.000 0.483 957 V N 5.629 125.566 119.914 0.038 0.000 2.415 957 V HA 0.317 4.438 4.120 0.002 0.000 0.267 957 V C -0.365 175.633 176.094 -0.161 0.000 1.042 957 V CA -0.167 62.121 62.300 -0.019 0.000 1.000 957 V CB -0.349 31.371 31.823 -0.171 0.000 1.015 957 V HN 0.782 nan 8.190 nan 0.000 0.478 958 W N 4.806 126.073 121.300 -0.055 0.000 2.627 958 W HA 0.730 5.391 4.660 0.001 0.000 0.339 958 W C -0.263 176.192 176.519 -0.106 0.000 1.058 958 W CA -0.608 56.717 57.345 -0.034 0.000 1.223 958 W CB 1.487 30.907 29.460 -0.068 0.000 1.389 958 W HN 0.339 nan 8.180 nan 0.000 0.541 959 I N 4.163 124.864 120.570 0.218 0.000 2.411 959 I HA 0.267 4.438 4.170 0.002 0.000 0.284 959 I C -0.966 175.410 176.117 0.431 0.000 1.012 959 I CA -0.776 60.603 61.300 0.132 0.000 1.119 959 I CB 0.579 38.657 38.000 0.130 0.000 1.261 959 I HN 0.040 nan 8.210 nan 0.000 0.448 960 F N 3.637 123.604 119.950 0.029 0.000 2.422 960 F HA 0.853 5.381 4.527 0.002 0.000 0.333 960 F C 0.733 176.445 175.800 -0.146 0.000 1.095 960 F CA -1.499 56.578 58.000 0.129 0.000 1.038 960 F CB 1.898 41.009 39.000 0.185 0.000 1.156 960 F HN 0.439 nan 8.300 nan 0.000 0.483 961 G N 0.251 109.181 108.800 0.216 0.000 2.579 961 G HA2 0.520 4.481 3.960 0.002 0.000 0.292 961 G HA3 0.520 4.481 3.960 0.002 0.000 0.292 961 G C -0.885 174.267 174.900 0.420 0.000 1.484 961 G CA -0.309 44.916 45.100 0.208 0.000 0.813 961 G HN 0.887 nan 8.290 nan 0.000 0.515 962 G N -0.881 108.180 108.800 0.434 0.000 2.532 962 G HA2 0.485 4.446 3.960 0.002 0.000 0.291 962 G HA3 0.485 4.446 3.960 0.002 0.000 0.291 962 G C 0.900 176.060 174.900 0.433 0.000 1.349 962 G CA 0.559 45.865 45.100 0.343 0.000 1.038 962 G HN 0.696 nan 8.290 nan 0.000 0.518 963 D N -0.685 119.904 120.400 0.316 0.000 2.117 963 D HA -0.105 4.536 4.640 0.002 0.000 0.197 963 D C 2.232 178.755 176.300 0.370 0.000 0.987 963 D CA 1.364 55.543 54.000 0.298 0.000 0.829 963 D CB -0.844 39.948 40.800 -0.013 0.000 0.961 963 D HN 0.475 nan 8.370 nan 0.000 0.460 964 G N 0.378 109.443 108.800 0.442 0.000 2.440 964 G HA2 -0.301 3.660 3.960 0.002 0.000 0.218 964 G HA3 -0.301 3.660 3.960 0.002 0.000 0.218 964 G C 1.381 176.499 174.900 0.363 0.000 1.154 964 G CA 0.928 46.355 45.100 0.545 0.000 0.767 964 G HN 0.436 nan 8.290 nan 0.000 0.552 965 W N 1.771 123.234 121.300 0.272 0.000 2.352 965 W HA 0.098 4.759 4.660 0.001 0.000 0.322 965 W C 2.709 179.290 176.519 0.102 0.000 1.208 965 W CA 2.437 59.809 57.345 0.045 0.000 1.286 965 W CB -0.595 28.982 29.460 0.195 0.000 1.167 965 W HN 0.231 nan 8.180 nan 0.000 0.469 966 A N -1.000 121.596 122.820 -0.374 0.000 1.933 966 A HA -0.171 4.150 4.320 0.002 0.000 0.218 966 A C 1.812 179.240 177.584 -0.261 0.000 1.175 966 A CA 1.774 53.429 52.037 -0.635 0.000 0.628 966 A CB -1.257 17.600 19.000 -0.238 0.000 0.814 966 A HN 0.536 nan 8.150 nan 0.000 0.444 967 Y N -0.237 119.951 120.300 -0.186 0.000 2.476 967 Y HA 0.067 4.618 4.550 0.002 0.000 0.283 967 Y C 1.572 177.380 175.900 -0.154 0.000 1.109 967 Y CA 0.574 58.538 58.100 -0.226 0.000 1.246 967 Y CB 0.136 38.534 38.460 -0.105 0.000 1.068 967 Y HN 0.312 nan 8.280 nan 0.000 0.552 968 D N -0.877 119.605 120.400 0.136 0.000 3.066 968 D HA 0.029 4.670 4.640 0.002 0.000 0.225 968 D C 2.044 178.340 176.300 -0.007 0.000 1.397 968 D CA -0.113 53.965 54.000 0.129 0.000 1.344 968 D CB -0.791 40.195 40.800 0.310 0.000 0.934 968 D HN 0.046 nan 8.370 nan 0.000 0.202 969 I N 1.075 121.572 120.570 -0.121 0.000 2.194 969 I HA -0.176 3.995 4.170 0.002 0.000 0.246 969 I C 1.645 177.584 176.117 -0.297 0.000 1.093 969 I CA 1.871 62.986 61.300 -0.308 0.000 1.355 969 I CB 0.009 37.657 38.000 -0.587 0.000 1.046 969 I HN 0.165 nan 8.210 nan 0.000 0.413 970 G N -1.763 106.799 108.800 -0.397 0.000 3.233 970 G HA2 -0.164 3.797 3.960 0.002 0.000 0.234 970 G HA3 -0.164 3.797 3.960 0.002 0.000 0.234 970 G C 1.077 175.727 174.900 -0.415 0.000 1.137 970 G CA -0.209 44.681 45.100 -0.350 0.000 0.763 970 G HN 0.395 nan 8.290 nan 0.000 0.549 971 Y N 2.083 122.118 120.300 -0.441 0.000 2.165 971 Y HA -0.106 4.446 4.550 0.002 0.000 0.286 971 Y C 2.475 178.246 175.900 -0.216 0.000 1.155 971 Y CA 1.595 59.487 58.100 -0.348 0.000 1.164 971 Y CB -0.500 37.812 38.460 -0.247 0.000 0.978 971 Y HN 0.118 nan 8.280 nan 0.000 0.513 972 G N -0.746 107.794 108.800 -0.434 0.000 2.418 972 G HA2 -0.239 3.722 3.960 0.002 0.000 0.217 972 G HA3 -0.239 3.722 3.960 0.002 0.000 0.217 972 G C 1.927 176.648 174.900 -0.298 0.000 1.158 972 G CA 0.798 45.649 45.100 -0.416 0.000 0.771 972 G HN 0.612 nan 8.290 nan 0.000 0.545 973 G N 0.561 109.241 108.800 -0.200 0.000 2.408 973 G HA2 -0.058 3.903 3.960 0.002 0.000 0.217 973 G HA3 -0.058 3.903 3.960 0.002 0.000 0.217 973 G C 1.725 176.582 174.900 -0.072 0.000 1.150 973 G CA 0.981 46.023 45.100 -0.096 0.000 0.776 973 G HN 0.409 nan 8.290 nan 0.000 0.542 974 L N 1.154 122.299 121.223 -0.130 0.000 2.027 974 L HA 0.017 4.358 4.340 0.002 0.000 0.206 974 L C 2.224 179.003 176.870 -0.152 0.000 1.074 974 L CA 2.685 57.467 54.840 -0.097 0.000 0.745 974 L CB -0.788 41.120 42.059 -0.252 0.000 0.898 974 L HN 0.288 nan 8.230 nan 0.000 0.433 975 D N -1.903 118.331 120.400 -0.277 0.000 2.149 975 D HA -0.295 4.346 4.640 0.002 0.000 0.198 975 D C 2.205 178.389 176.300 -0.194 0.000 0.990 975 D CA 1.437 55.286 54.000 -0.252 0.000 0.839 975 D CB -0.170 40.355 40.800 -0.458 0.000 0.948 975 D HN 0.582 nan 8.370 nan 0.000 0.460 976 H N -0.625 118.285 119.070 -0.267 0.000 2.436 976 H HA 0.010 4.567 4.556 0.002 0.000 0.294 976 H C 1.937 177.054 175.328 -0.352 0.000 1.048 976 H CA 0.917 56.805 56.048 -0.266 0.000 1.353 976 H CB 0.325 29.942 29.762 -0.242 0.000 1.414 976 H HN 0.107 nan 8.280 nan 0.000 0.536 977 V N 1.189 120.937 119.914 -0.277 0.000 2.453 977 V HA -0.211 3.910 4.120 0.002 0.000 0.247 977 V C 2.718 178.643 176.094 -0.282 0.000 1.048 977 V CA 1.072 63.136 62.300 -0.393 0.000 1.049 977 V CB -0.349 31.366 31.823 -0.180 0.000 0.672 977 V HN 0.322 nan 8.190 nan 0.000 0.457 978 L N 0.102 121.181 121.223 -0.240 0.000 2.156 978 L HA -0.019 4.322 4.340 0.002 0.000 0.208 978 L C 2.678 179.322 176.870 -0.376 0.000 1.095 978 L CA 1.241 55.941 54.840 -0.234 0.000 0.770 978 L CB -0.801 41.121 42.059 -0.227 0.000 0.914 978 L HN 0.329 nan 8.230 nan 0.000 0.439 979 A N 0.459 122.931 122.820 -0.579 0.000 2.019 979 A HA -0.199 4.122 4.320 0.002 0.000 0.219 979 A C 2.534 180.020 177.584 -0.163 0.000 1.164 979 A CA 1.728 53.426 52.037 -0.566 0.000 0.644 979 A CB -0.575 18.115 19.000 -0.517 0.000 0.805 979 A HN 0.521 nan 8.150 nan 0.000 0.449 980 S N -1.344 114.183 115.700 -0.289 0.000 2.419 980 S HA 0.196 4.667 4.470 0.002 0.000 0.233 980 S C 1.706 176.253 174.600 -0.088 0.000 1.016 980 S CA 1.496 59.553 58.200 -0.238 0.000 0.974 980 S CB -0.741 62.248 63.200 -0.351 0.000 0.786 980 S HN 1.988 nan 8.310 nan 0.000 0.492 981 G N 0.566 109.384 108.800 0.029 0.000 2.179 981 G HA2 -0.255 3.706 3.960 0.002 0.000 0.260 981 G HA3 -0.255 3.706 3.960 0.002 0.000 0.260 981 G C -0.138 174.795 174.900 0.056 0.000 0.977 981 G CA 0.359 45.498 45.100 0.066 0.000 0.641 981 G HN 0.643 nan 8.290 nan 0.000 0.533 982 E N 0.133 120.379 120.200 0.077 0.000 2.369 982 E HA 0.352 4.703 4.350 0.002 0.000 0.255 982 E C -0.369 176.256 176.600 0.042 0.000 1.172 982 E CA -0.471 55.965 56.400 0.060 0.000 0.932 982 E CB 0.541 30.328 29.700 0.145 0.000 1.040 982 E HN 0.105 nan 8.360 nan 0.000 0.454 983 D N 1.968 122.356 120.400 -0.020 0.000 2.470 983 D HA 0.124 4.765 4.640 0.002 0.000 0.226 983 D C -1.201 175.052 176.300 -0.078 0.000 1.196 983 D CA -0.189 53.782 54.000 -0.050 0.000 0.979 983 D CB -0.296 40.459 40.800 -0.076 0.000 1.059 983 D HN 0.213 nan 8.370 nan 0.000 0.515 984 V N 0.726 120.599 119.914 -0.068 0.000 3.040 984 V HA 0.680 4.801 4.120 0.002 0.000 0.312 984 V C -0.622 175.330 176.094 -0.237 0.000 1.115 984 V CA -1.092 61.125 62.300 -0.139 0.000 0.998 984 V CB 2.346 34.157 31.823 -0.021 0.000 1.042 984 V HN 0.255 nan 8.190 nan 0.000 0.433 985 N N 1.494 119.896 118.700 -0.496 0.000 2.354 985 N HA 0.580 5.321 4.740 0.002 0.000 0.287 985 N C -1.167 174.108 175.510 -0.391 0.000 1.016 985 N CA -0.293 52.330 53.050 -0.711 0.000 0.871 985 N CB 2.507 39.889 38.487 -1.843 0.000 1.299 985 N HN 0.901 nan 8.380 nan 0.000 0.482 986 V N 2.496 122.409 119.914 -0.003 0.000 2.448 986 V HA 0.590 4.711 4.120 0.002 0.000 0.295 986 V C -1.405 175.015 176.094 0.543 0.000 1.025 986 V CA -0.669 61.827 62.300 0.326 0.000 0.859 986 V CB 0.928 32.974 31.823 0.371 0.000 0.988 986 V HN 0.517 nan 8.190 nan 0.000 0.431 987 F N 6.760 127.052 119.950 0.570 0.000 2.375 987 F HA 0.703 5.231 4.527 0.001 0.000 0.361 987 F C -0.409 175.608 175.800 0.362 0.000 1.117 987 F CA -0.628 57.667 58.000 0.491 0.000 1.037 987 F CB 1.663 40.966 39.000 0.505 0.000 1.192 987 F HN 0.422 nan 8.300 nan 0.000 0.452 988 V N 7.743 127.569 119.914 -0.146 0.000 2.350 988 V HA 0.276 4.397 4.120 0.002 0.000 0.276 988 V C 0.021 175.884 176.094 -0.385 0.000 1.028 988 V CA -0.575 61.707 62.300 -0.029 0.000 0.860 988 V CB 1.267 33.197 31.823 0.177 0.000 0.990 988 V HN 0.691 nan 8.190 nan 0.000 0.453 989 M N 4.354 123.813 119.600 -0.235 0.000 2.151 989 M HA 0.273 4.754 4.480 0.002 0.000 0.349 989 M C -0.040 176.218 176.300 -0.071 0.000 1.284 989 M CA 0.013 55.163 55.300 -0.249 0.000 1.173 989 M CB 0.272 32.843 32.600 -0.049 0.000 1.469 989 M HN 0.460 nan 8.290 nan 0.000 0.439 990 D N 2.210 122.549 120.400 -0.102 0.000 2.453 990 D HA 0.086 4.727 4.640 0.002 0.000 0.223 990 D C 0.912 177.109 176.300 -0.172 0.000 1.183 990 D CA 0.025 54.015 54.000 -0.017 0.000 0.933 990 D CB 0.812 41.742 40.800 0.217 0.000 1.038 990 D HN 0.670 nan 8.370 nan 0.000 0.513 991 T N -0.185 114.312 114.554 -0.095 0.000 3.129 991 T HA 0.030 4.381 4.350 0.002 0.000 0.251 991 T C 0.637 175.287 174.700 -0.084 0.000 1.117 991 T CA -0.186 61.839 62.100 -0.126 0.000 1.034 991 T CB -0.222 68.627 68.868 -0.032 0.000 0.968 991 T HN 0.553 nan 8.240 nan 0.000 0.526 992 E N -0.336 119.837 120.200 -0.045 0.000 2.513 992 E HA -0.111 4.240 4.350 0.002 0.000 0.257 992 E C -0.600 175.981 176.600 -0.032 0.000 1.098 992 E CA 0.253 56.642 56.400 -0.018 0.000 0.752 992 E CB -1.807 27.947 29.700 0.090 0.000 1.324 992 E HN 0.489 nan 8.360 nan 0.000 0.403 993 V N -0.338 119.571 119.914 -0.007 0.000 3.175 993 V HA 0.133 4.254 4.120 0.002 0.000 0.264 993 V C -1.808 174.386 176.094 0.167 0.000 1.816 993 V CA -0.942 61.355 62.300 -0.005 0.000 0.989 993 V CB 1.285 33.087 31.823 -0.035 0.000 1.332 993 V HN 0.126 nan 8.190 nan 0.000 0.466 994 Y N 2.734 123.050 120.300 0.025 0.000 2.600 994 Y HA 0.383 4.934 4.550 0.002 0.000 0.351 994 Y C 1.489 177.393 175.900 0.008 0.000 1.042 994 Y CA 0.190 58.314 58.100 0.040 0.000 1.333 994 Y CB 0.750 39.224 38.460 0.025 0.000 1.172 994 Y HN 0.648 nan 8.280 nan 0.000 0.517 995 S N 2.381 118.178 115.700 0.162 0.000 2.338 995 S HA -0.202 4.269 4.470 0.002 0.000 0.218 995 S C 2.151 176.788 174.600 0.060 0.000 1.032 995 S CA 1.368 59.621 58.200 0.089 0.000 0.999 995 S CB -0.142 63.107 63.200 0.082 0.000 0.905 995 S HN 0.846 nan 8.310 nan 0.000 0.439 996 N N 1.841 120.564 118.700 0.040 0.000 2.149 996 N HA -0.162 4.579 4.740 0.002 0.000 0.188 996 N C 1.327 176.826 175.510 -0.018 0.000 1.019 996 N CA 2.034 55.086 53.050 0.004 0.000 0.857 996 N CB -0.873 37.595 38.487 -0.031 0.000 0.997 996 N HN 0.529 nan 8.380 nan 0.000 0.426 997 T N -4.303 110.239 114.554 -0.019 0.000 3.148 997 T HA 0.382 4.733 4.350 0.002 0.000 0.253 997 T C 1.202 175.908 174.700 0.009 0.000 1.134 997 T CA 0.351 62.440 62.100 -0.018 0.000 1.051 997 T CB -0.150 68.697 68.868 -0.035 0.000 0.959 997 T HN 0.475 nan 8.240 nan 0.000 0.525 998 G N 0.497 109.306 108.800 0.015 0.000 2.337 998 G HA2 0.331 4.292 3.960 0.002 0.000 0.134 998 G HA3 0.331 4.292 3.960 0.002 0.000 0.134 998 G C 0.657 175.550 174.900 -0.012 0.000 1.052 998 G CA -0.213 44.882 45.100 -0.007 0.000 0.737 998 G HN 1.466 nan 8.290 nan 0.000 0.485 999 G N -1.271 107.537 108.800 0.013 0.000 2.272 999 G HA2 -0.060 3.901 3.960 0.002 0.000 0.280 999 G HA3 -0.060 3.901 3.960 0.002 0.000 0.280 999 G C 0.221 175.094 174.900 -0.044 0.000 1.067 999 G CA 1.036 46.125 45.100 -0.018 0.000 0.902 999 G HN 1.122 nan 8.290 nan 0.000 0.500 1000 Q N 0.031 119.831 119.800 0.001 0.000 2.260 1000 Q HA 0.629 4.970 4.340 0.002 0.000 0.242 1000 Q C 0.852 176.683 176.000 -0.283 0.000 0.932 1000 Q CA 0.131 55.915 55.803 -0.032 0.000 0.891 1000 Q CB 1.283 30.101 28.738 0.133 0.000 1.222 1000 Q HN 0.377 nan 8.270 nan 0.000 0.453 1001 S N 0.780 116.360 115.700 -0.200 0.000 2.568 1001 S HA 0.291 4.762 4.470 0.002 0.000 0.282 1001 S C -0.229 174.041 174.600 -0.550 0.000 1.338 1001 S CA -0.108 57.939 58.200 -0.255 0.000 1.045 1001 S CB 0.282 63.440 63.200 -0.070 0.000 0.873 1001 S HN 0.564 nan 8.310 nan 0.000 0.516 1002 S N 2.292 117.770 115.700 -0.370 0.000 2.671 1002 S HA 0.481 4.952 4.470 0.002 0.000 0.299 1002 S C 0.488 175.020 174.600 -0.113 0.000 1.116 1002 S CA -0.768 57.265 58.200 -0.279 0.000 0.912 1002 S CB 1.435 64.554 63.200 -0.136 0.000 1.130 1002 S HN 0.775 nan 8.310 nan 0.000 0.501 1003 K N 0.795 121.179 120.400 -0.027 0.000 2.365 1003 K HA 0.245 4.566 4.320 0.002 0.000 0.199 1003 K C 1.604 178.153 176.600 -0.086 0.000 1.045 1003 K CA 0.998 57.283 56.287 -0.003 0.000 0.962 1003 K CB -0.261 32.286 32.500 0.077 0.000 0.759 1003 K HN 0.607 nan 8.250 nan 0.000 0.469 1004 A N 0.274 122.874 122.820 -0.366 0.000 2.206 1004 A HA 0.022 4.343 4.320 0.002 0.000 0.211 1004 A C 0.468 177.934 177.584 -0.197 0.000 1.158 1004 A CA 0.434 52.082 52.037 -0.648 0.000 0.761 1004 A CB -0.153 18.119 19.000 -1.213 0.000 0.801 1004 A HN 0.126 nan 8.150 nan 0.000 0.473 1005 T N 3.644 118.137 114.554 -0.102 0.000 2.834 1005 T HA 0.345 4.696 4.350 0.002 0.000 0.298 1005 T C -2.306 172.439 174.700 0.074 0.000 0.966 1005 T CA -0.779 61.318 62.100 -0.005 0.000 1.141 1005 T CB 1.072 69.916 68.868 -0.040 0.000 0.905 1005 T HN 0.289 nan 8.240 nan 0.000 0.535 1006 P HA 0.135 nan 4.420 nan 0.000 0.274 1006 P C -0.137 177.303 177.300 0.233 0.000 1.256 1006 P CA -0.496 62.747 63.100 0.238 0.000 0.795 1006 P CB 0.382 32.344 31.700 0.437 0.000 1.038 1007 T N 0.573 115.254 114.554 0.213 0.000 2.902 1007 T HA 0.300 4.651 4.350 0.002 0.000 0.301 1007 T C 1.400 176.264 174.700 0.273 0.000 1.012 1007 T CA 1.869 64.081 62.100 0.187 0.000 1.151 1007 T CB -0.747 68.211 68.868 0.151 0.000 0.946 1007 T HN 0.806 nan 8.240 nan 0.000 0.542 1008 G N 2.241 111.176 108.800 0.224 0.000 2.179 1008 G HA2 -0.144 3.817 3.960 0.002 0.000 0.260 1008 G HA3 -0.144 3.817 3.960 0.002 0.000 0.260 1008 G C 0.283 175.373 174.900 0.317 0.000 0.977 1008 G CA 0.024 45.285 45.100 0.268 0.000 0.641 1008 G HN 1.172 nan 8.290 nan 0.000 0.533 1009 A N -0.023 122.938 122.820 0.236 0.000 2.401 1009 A HA 0.683 5.004 4.320 0.002 0.000 0.259 1009 A C 0.501 178.031 177.584 -0.090 0.000 1.103 1009 A CA 0.156 52.127 52.037 -0.110 0.000 0.789 1009 A CB 1.104 19.995 19.000 -0.182 0.000 1.035 1009 A HN 1.088 nan 8.150 nan 0.000 0.491 1010 V N 1.956 121.774 119.914 -0.159 0.000 2.461 1010 V HA 0.615 4.736 4.120 0.002 0.000 0.275 1010 V C 0.629 176.650 176.094 -0.122 0.000 1.047 1010 V CA 0.858 63.104 62.300 -0.090 0.000 0.955 1010 V CB 0.442 32.230 31.823 -0.059 0.000 0.988 1010 V HN 1.339 nan 8.190 nan 0.000 0.471 1011 A N 5.494 128.255 122.820 -0.099 0.000 2.581 1011 A HA 0.766 5.087 4.320 0.002 0.000 0.290 1011 A C -1.115 176.384 177.584 -0.142 0.000 1.119 1011 A CA -0.985 50.982 52.037 -0.117 0.000 0.670 1011 A CB 1.261 20.195 19.000 -0.109 0.000 1.280 1011 A HN 0.493 nan 8.150 nan 0.000 0.425 1012 K N 0.073 120.357 120.400 -0.194 0.000 2.401 1012 K HA 0.444 4.765 4.320 0.002 0.000 0.278 1012 K C -0.496 175.909 176.600 -0.325 0.000 1.018 1012 K CA 0.146 56.190 56.287 -0.405 0.000 0.981 1012 K CB -0.581 31.619 32.500 -0.499 0.000 0.933 1012 K HN 0.882 nan 8.250 nan 0.000 0.477 1013 F N -1.213 118.697 119.950 -0.067 0.000 2.748 1013 F HA -0.297 4.231 4.527 0.002 0.000 0.370 1013 F C 0.571 176.345 175.800 -0.044 0.000 0.620 1013 F CA 1.056 59.025 58.000 -0.051 0.000 1.233 1013 F CB -1.938 37.025 39.000 -0.061 0.000 1.708 1013 F HN 0.603 nan 8.300 nan 0.000 0.298 1014 A N -0.727 122.108 122.820 0.025 0.000 3.106 1014 A HA 0.819 5.140 4.320 0.002 0.000 0.227 1014 A C 0.946 178.521 177.584 -0.015 0.000 0.920 1014 A CA 0.248 52.295 52.037 0.016 0.000 1.088 1014 A CB -0.291 18.714 19.000 0.008 0.000 1.233 1014 A HN 0.729 nan 8.150 nan 0.000 0.503 1015 A N -0.474 122.328 122.820 -0.030 0.000 2.235 1015 A HA 0.493 4.813 4.320 0.002 0.000 0.208 1015 A C 1.372 178.977 177.584 0.035 0.000 1.172 1015 A CA 1.236 53.259 52.037 -0.023 0.000 0.786 1015 A CB -0.101 18.866 19.000 -0.055 0.000 0.804 1015 A HN 1.531 nan 8.150 nan 0.000 0.479 1016 A N -0.878 121.944 122.820 0.004 0.000 2.594 1016 A HA 0.545 4.866 4.320 0.002 0.000 0.292 1016 A C 0.824 178.423 177.584 0.026 0.000 1.026 1016 A CA 0.412 52.430 52.037 -0.031 0.000 0.983 1016 A CB -0.703 18.166 19.000 -0.219 0.000 1.233 1016 A HN 1.930 nan 8.150 nan 0.000 0.519 1017 G N 0.390 109.224 108.800 0.057 0.000 3.172 1017 G HA2 -0.060 3.901 3.960 0.002 0.000 0.686 1017 G HA3 -0.060 3.901 3.960 0.002 0.000 0.686 1017 G C -0.376 174.557 174.900 0.056 0.000 1.009 1017 G CA -0.222 44.923 45.100 0.075 0.000 0.787 1017 G HN 0.864 nan 8.290 nan 0.000 0.559 1018 K N 1.566 122.001 120.400 0.060 0.000 2.472 1018 K HA 0.247 4.568 4.320 0.002 0.000 0.280 1018 K C 1.326 177.965 176.600 0.064 0.000 1.028 1018 K CA 0.071 56.391 56.287 0.054 0.000 1.045 1018 K CB 0.324 32.858 32.500 0.056 0.000 0.902 1018 K HN 0.406 nan 8.250 nan 0.000 0.478 1019 R N 2.262 122.791 120.500 0.047 0.000 2.359 1019 R HA 0.062 4.403 4.340 0.002 0.000 0.231 1019 R C -0.127 176.199 176.300 0.043 0.000 0.913 1019 R CA 0.202 56.328 56.100 0.044 0.000 1.075 1019 R CB -0.133 30.184 30.300 0.029 0.000 1.087 1019 R HN 0.781 nan 8.270 nan 0.000 0.515 1020 T N -2.612 111.969 114.554 0.045 0.000 2.863 1020 T HA 0.650 5.001 4.350 0.002 0.000 0.285 1020 T C 0.621 175.351 174.700 0.050 0.000 1.009 1020 T CA -0.730 61.394 62.100 0.040 0.000 0.989 1020 T CB 2.728 71.613 68.868 0.029 0.000 1.004 1020 T HN 0.093 nan 8.240 nan 0.000 0.455 1021 G N 1.153 109.982 108.800 0.048 0.000 2.716 1021 G HA2 0.292 4.253 3.960 0.002 0.000 0.251 1021 G HA3 0.292 4.253 3.960 0.002 0.000 0.251 1021 G C -0.277 174.650 174.900 0.046 0.000 1.224 1021 G CA -0.801 44.331 45.100 0.054 0.000 0.891 1021 G HN 0.969 nan 8.290 nan 0.000 0.561 1022 K N 0.218 120.648 120.400 0.049 0.000 2.379 1022 K HA 0.101 4.422 4.320 0.002 0.000 0.284 1022 K C 0.611 177.244 176.600 0.054 0.000 1.044 1022 K CA -0.329 55.987 56.287 0.050 0.000 0.974 1022 K CB 0.385 32.916 32.500 0.052 0.000 0.962 1022 K HN 0.456 nan 8.250 nan 0.000 0.474 1023 K N 3.367 123.820 120.400 0.088 0.000 2.436 1023 K HA -0.088 4.233 4.320 0.002 0.000 0.275 1023 K C -0.453 176.197 176.600 0.084 0.000 0.999 1023 K CA 0.067 56.398 56.287 0.073 0.000 0.980 1023 K CB 0.522 33.082 32.500 0.099 0.000 0.919 1023 K HN 0.490 nan 8.250 nan 0.000 0.484 1024 D N 5.252 125.631 120.400 -0.034 0.000 2.564 1024 D HA 0.030 4.671 4.640 0.002 0.000 0.226 1024 D C 0.861 177.064 176.300 -0.161 0.000 1.149 1024 D CA -0.251 53.704 54.000 -0.075 0.000 0.994 1024 D CB 0.405 41.145 40.800 -0.100 0.000 1.029 1024 D HN 0.528 nan 8.370 nan 0.000 0.517 1025 L N 3.448 124.518 121.223 -0.255 0.000 2.046 1025 L HA -0.060 4.281 4.340 0.002 0.000 0.208 1025 L C 1.999 178.733 176.870 -0.228 0.000 1.077 1025 L CA 2.101 56.692 54.840 -0.414 0.000 0.747 1025 L CB -0.487 41.042 42.059 -0.885 0.000 0.896 1025 L HN 0.287 nan 8.230 nan 0.000 0.432 1026 A N -0.337 122.399 122.820 -0.140 0.000 1.865 1026 A HA -0.257 4.064 4.320 0.002 0.000 0.217 1026 A C 2.521 180.042 177.584 -0.105 0.000 1.191 1026 A CA 2.025 54.040 52.037 -0.036 0.000 0.623 1026 A CB -0.634 18.460 19.000 0.156 0.000 0.826 1026 A HN 0.476 nan 8.150 nan 0.000 0.444 1027 R N -1.370 119.036 120.500 -0.157 0.000 2.115 1027 R HA 0.051 4.392 4.340 0.002 0.000 0.230 1027 R C 2.269 178.430 176.300 -0.231 0.000 1.111 1027 R CA 1.399 57.355 56.100 -0.240 0.000 0.976 1027 R CB -0.278 29.868 30.300 -0.256 0.000 0.870 1027 R HN 0.601 nan 8.270 nan 0.000 0.445 1028 M N -0.542 118.946 119.600 -0.187 0.000 2.086 1028 M HA -0.154 4.327 4.480 0.002 0.000 0.261 1028 M C 2.249 178.443 176.300 -0.176 0.000 1.067 1028 M CA 1.567 56.765 55.300 -0.169 0.000 1.116 1028 M CB -0.144 32.386 32.600 -0.117 0.000 1.348 1028 M HN 0.168 nan 8.290 nan 0.000 0.407 1029 V N -0.980 118.864 119.914 -0.117 0.000 2.871 1029 V HA -0.116 4.005 4.120 0.002 0.000 0.256 1029 V C 1.815 177.813 176.094 -0.158 0.000 1.082 1029 V CA 1.276 63.557 62.300 -0.031 0.000 1.105 1029 V CB -0.481 31.370 31.823 0.047 0.000 0.713 1029 V HN 0.468 nan 8.190 nan 0.000 0.473 1030 M N 1.571 120.980 119.600 -0.319 0.000 2.549 1030 M HA -0.086 4.395 4.480 0.002 0.000 0.260 1030 M C 2.147 178.123 176.300 -0.540 0.000 1.076 1030 M CA 1.877 56.814 55.300 -0.604 0.000 1.090 1030 M CB -0.473 31.715 32.600 -0.687 0.000 1.418 1030 M HN 0.759 nan 8.290 nan 0.000 0.486 1031 T N -2.503 111.804 114.554 -0.411 0.000 2.962 1031 T HA -0.153 4.198 4.350 0.002 0.000 0.270 1031 T C 1.416 175.878 174.700 -0.395 0.000 1.088 1031 T CA 0.912 62.781 62.100 -0.385 0.000 1.127 1031 T CB -0.541 68.090 68.868 -0.394 0.000 0.883 1031 T HN 0.304 nan 8.240 nan 0.000 0.493 1032 Y N 2.348 122.451 120.300 -0.329 0.000 2.181 1032 Y HA 0.158 4.709 4.550 0.002 0.000 0.288 1032 Y C 2.633 178.354 175.900 -0.299 0.000 1.146 1032 Y CA 0.944 58.779 58.100 -0.441 0.000 1.164 1032 Y CB -0.884 37.102 38.460 -0.790 0.000 0.982 1032 Y HN 0.476 nan 8.280 nan 0.000 0.515 1033 G N -1.080 107.689 108.800 -0.052 0.000 2.336 1033 G HA2 -0.391 3.570 3.960 0.002 0.000 0.233 1033 G HA3 -0.391 3.570 3.960 0.002 0.000 0.233 1033 G C 0.780 175.879 174.900 0.332 0.000 1.053 1033 G CA 0.540 45.764 45.100 0.207 0.000 0.625 1033 G HN 0.583 nan 8.290 nan 0.000 0.511 1034 Y N 0.117 120.591 120.300 0.290 0.000 2.607 1034 Y HA 0.760 5.311 4.550 0.002 0.000 0.266 1034 Y C 0.195 176.219 175.900 0.207 0.000 1.178 1034 Y CA -0.753 57.545 58.100 0.331 0.000 1.226 1034 Y CB 0.071 38.822 38.460 0.486 0.000 1.144 1034 Y HN 0.233 nan 8.280 nan 0.000 0.528 1035 V N 1.760 121.665 119.914 -0.015 0.000 2.444 1035 V HA 0.166 4.287 4.120 0.002 0.000 0.294 1035 V C -0.974 175.001 176.094 -0.200 0.000 1.022 1035 V CA -1.245 61.013 62.300 -0.070 0.000 0.850 1035 V CB 1.073 32.805 31.823 -0.153 0.000 0.992 1035 V HN 0.284 nan 8.190 nan 0.000 0.426 1036 Y N 5.448 125.433 120.300 -0.524 0.000 2.496 1036 Y HA 0.481 5.032 4.550 0.002 0.000 0.334 1036 Y C -0.238 175.585 175.900 -0.128 0.000 1.080 1036 Y CA 0.232 58.046 58.100 -0.477 0.000 1.355 1036 Y CB 0.859 38.925 38.460 -0.657 0.000 1.193 1036 Y HN 0.415 nan 8.280 nan 0.000 0.523 1037 V N 5.811 125.504 119.914 -0.369 0.000 2.588 1037 V HA 0.906 5.027 4.120 0.002 0.000 0.304 1037 V C -0.545 175.467 176.094 -0.137 0.000 1.042 1037 V CA -0.443 61.788 62.300 -0.114 0.000 0.877 1037 V CB 1.167 32.958 31.823 -0.053 0.000 0.996 1037 V HN 0.957 nan 8.190 nan 0.000 0.425 1038 A N 2.911 125.756 122.820 0.041 0.000 2.609 1038 A HA 0.992 5.313 4.320 0.002 0.000 0.291 1038 A C -0.452 177.137 177.584 0.009 0.000 1.096 1038 A CA -0.299 51.761 52.037 0.037 0.000 0.684 1038 A CB 2.294 21.393 19.000 0.166 0.000 1.282 1038 A HN 1.032 nan 8.150 nan 0.000 0.412 1039 T N -1.400 113.045 114.554 -0.182 0.000 2.893 1039 T HA 0.805 5.156 4.350 0.002 0.000 0.293 1039 T C -0.327 174.444 174.700 0.118 0.000 1.027 1039 T CA -0.124 61.901 62.100 -0.126 0.000 0.988 1039 T CB 0.901 69.393 68.868 -0.626 0.000 1.043 1039 T HN 2.132 nan 8.240 nan 0.000 0.461 1040 V N -1.556 118.579 119.914 0.368 0.000 3.130 1040 V HA 0.983 5.104 4.120 0.002 0.000 0.310 1040 V C -0.581 175.793 176.094 0.466 0.000 1.158 1040 V CA -0.838 61.728 62.300 0.444 0.000 1.029 1040 V CB 1.796 33.986 31.823 0.612 0.000 1.057 1040 V HN 1.187 nan 8.190 nan 0.000 0.436 1041 S N 2.475 118.423 115.700 0.413 0.000 2.536 1041 S HA 0.324 4.795 4.470 0.002 0.000 0.246 1041 S C 0.360 175.126 174.600 0.276 0.000 1.077 1041 S CA -0.089 58.309 58.200 0.329 0.000 1.091 1041 S CB 1.172 64.497 63.200 0.209 0.000 1.148 1041 S HN 1.027 nan 8.310 nan 0.000 0.447 1042 M N 3.821 123.503 119.600 0.136 0.000 2.108 1042 M HA -0.080 4.401 4.480 0.002 0.000 0.257 1042 M C 1.921 178.252 176.300 0.052 0.000 1.071 1042 M CA 2.608 57.887 55.300 -0.036 0.000 1.093 1042 M CB -0.649 31.689 32.600 -0.435 0.000 1.345 1042 M HN 0.811 nan 8.290 nan 0.000 0.403 1043 G N -1.548 107.296 108.800 0.074 0.000 2.448 1043 G HA2 -0.290 3.671 3.960 0.002 0.000 0.219 1043 G HA3 -0.290 3.671 3.960 0.002 0.000 0.219 1043 G C 1.167 176.141 174.900 0.122 0.000 1.127 1043 G CA 0.887 46.037 45.100 0.083 0.000 0.766 1043 G HN 0.625 nan 8.290 nan 0.000 0.552 1044 Y N 0.468 120.794 120.300 0.043 0.000 2.301 1044 Y HA 0.383 4.934 4.550 0.001 0.000 0.295 1044 Y C 0.888 176.816 175.900 0.047 0.000 1.119 1044 Y CA 0.933 59.060 58.100 0.045 0.000 1.162 1044 Y CB 0.538 39.037 38.460 0.065 0.000 1.046 1044 Y HN 0.125 nan 8.280 nan 0.000 0.538 1045 S N -0.002 115.754 115.700 0.092 0.000 2.653 1045 S HA 0.284 4.755 4.470 0.002 0.000 0.268 1045 S C -0.165 174.502 174.600 0.111 0.000 1.153 1045 S CA -0.789 57.413 58.200 0.002 0.000 1.036 1045 S CB 0.874 64.103 63.200 0.049 0.000 1.103 1045 S HN 0.347 nan 8.310 nan 0.000 0.466 1046 K N 2.190 122.575 120.400 -0.026 0.000 2.155 1046 K HA -0.052 4.269 4.320 0.002 0.000 0.203 1046 K C 1.955 178.578 176.600 0.038 0.000 1.052 1046 K CA 0.934 57.180 56.287 -0.068 0.000 0.948 1046 K CB 0.005 32.120 32.500 -0.641 0.000 0.728 1046 K HN 0.655 nan 8.250 nan 0.000 0.448 1047 Q N 0.899 120.689 119.800 -0.017 0.000 2.230 1047 Q HA -0.150 4.191 4.340 0.002 0.000 0.202 1047 Q C 1.937 178.002 176.000 0.108 0.000 0.963 1047 Q CA 1.038 56.854 55.803 0.021 0.000 0.866 1047 Q CB -0.252 28.474 28.738 -0.019 0.000 0.931 1047 Q HN 0.304 nan 8.270 nan 0.000 0.452 1048 Q N 0.305 120.204 119.800 0.166 0.000 2.119 1048 Q HA -0.106 4.235 4.340 0.002 0.000 0.201 1048 Q C 1.752 177.943 176.000 0.317 0.000 0.972 1048 Q CA 0.806 56.741 55.803 0.221 0.000 0.847 1048 Q CB -0.138 28.754 28.738 0.256 0.000 0.903 1048 Q HN 0.378 nan 8.270 nan 0.000 0.433 1049 F N 1.045 121.129 119.950 0.223 0.000 2.146 1049 F HA -0.125 4.403 4.527 0.002 0.000 0.298 1049 F C 1.806 177.772 175.800 0.277 0.000 1.096 1049 F CA 1.100 59.282 58.000 0.304 0.000 1.275 1049 F CB -0.414 38.805 39.000 0.365 0.000 1.008 1049 F HN 0.033 nan 8.300 nan 0.000 0.480 1050 L N 0.094 121.317 121.223 -0.000 0.000 2.217 1050 L HA -0.142 4.199 4.340 0.002 0.000 0.211 1050 L C 2.483 179.349 176.870 -0.008 0.000 1.107 1050 L CA 1.406 56.171 54.840 -0.125 0.000 0.783 1050 L CB -0.674 41.369 42.059 -0.026 0.000 0.919 1050 L HN 0.100 nan 8.230 nan 0.000 0.442 1051 K N 0.165 120.611 120.400 0.078 0.000 2.025 1051 K HA -0.131 4.190 4.320 0.002 0.000 0.207 1051 K C 2.024 178.716 176.600 0.154 0.000 1.049 1051 K CA 1.218 57.571 56.287 0.109 0.000 0.933 1051 K CB -0.075 32.498 32.500 0.122 0.000 0.714 1051 K HN -0.011 nan 8.250 nan 0.000 0.438 1052 V N 1.707 121.751 119.914 0.217 0.000 2.255 1052 V HA -0.277 3.844 4.120 0.002 0.000 0.247 1052 V C 2.339 178.584 176.094 0.253 0.000 1.051 1052 V CA 1.862 64.350 62.300 0.313 0.000 1.018 1052 V CB -0.389 31.680 31.823 0.409 0.000 0.641 1052 V HN 0.347 nan 8.190 nan 0.000 0.445 1053 L N -0.115 121.234 121.223 0.209 0.000 2.012 1053 L HA -0.245 4.096 4.340 0.002 0.000 0.210 1053 L C 2.662 179.744 176.870 0.353 0.000 1.073 1053 L CA 2.190 57.208 54.840 0.296 0.000 0.748 1053 L CB -0.777 41.352 42.059 0.115 0.000 0.891 1053 L HN 0.332 nan 8.230 nan 0.000 0.431 1054 K N 0.518 121.058 120.400 0.234 0.000 2.097 1054 K HA -0.199 4.122 4.320 0.002 0.000 0.206 1054 K C 1.819 178.492 176.600 0.122 0.000 1.049 1054 K CA 1.568 57.990 56.287 0.225 0.000 0.933 1054 K CB 0.041 32.615 32.500 0.124 0.000 0.717 1054 K HN 0.413 nan 8.250 nan 0.000 0.442 1055 E N -0.340 119.881 120.200 0.035 0.000 2.158 1055 E HA -0.086 4.265 4.350 0.002 0.000 0.191 1055 E C 1.870 178.153 176.600 -0.530 0.000 0.982 1055 E CA 0.694 57.018 56.400 -0.126 0.000 0.823 1055 E CB 0.084 29.784 29.700 -0.001 0.000 0.766 1055 E HN 0.395 nan 8.360 nan 0.000 0.468 1056 A N 1.511 124.002 122.820 -0.548 0.000 1.855 1056 A HA -0.161 4.160 4.320 0.002 0.000 0.213 1056 A C 2.123 179.574 177.584 -0.223 0.000 1.195 1056 A CA 0.936 52.610 52.037 -0.604 0.000 0.610 1056 A CB -0.283 18.635 19.000 -0.137 0.000 0.837 1056 A HN 0.069 nan 8.150 nan 0.000 0.444 1057 E N 0.825 120.974 120.200 -0.085 0.000 2.038 1057 E HA -0.185 4.166 4.350 0.002 0.000 0.195 1057 E C 2.363 178.915 176.600 -0.080 0.000 1.000 1057 E CA 1.911 58.220 56.400 -0.152 0.000 0.803 1057 E CB -0.276 29.234 29.700 -0.316 0.000 0.750 1057 E HN 0.645 nan 8.360 nan 0.000 0.448 1058 S N -0.065 115.636 115.700 0.001 0.000 2.481 1058 S HA -0.116 4.355 4.470 0.002 0.000 0.231 1058 S C 0.951 175.562 174.600 0.018 0.000 0.996 1058 S CA -0.206 58.008 58.200 0.022 0.000 0.942 1058 S CB -0.593 62.643 63.200 0.061 0.000 0.768 1058 S HN 0.223 nan 8.310 nan 0.000 0.520 1059 F N 5.807 125.675 119.950 -0.137 0.000 2.590 1059 F HA 0.280 4.809 4.527 0.002 0.000 0.389 1059 F C -2.093 173.688 175.800 -0.031 0.000 1.049 1059 F CA -2.759 55.185 58.000 -0.093 0.000 1.199 1059 F CB 0.512 39.417 39.000 -0.159 0.000 1.058 1059 F HN 0.057 nan 8.300 nan 0.000 0.556 1060 P HA 0.207 nan 4.420 nan 0.000 0.238 1060 P C -0.085 176.873 177.300 -0.570 0.000 1.714 1060 P CA 0.469 63.305 63.100 -0.440 0.000 0.908 1060 P CB -0.285 31.256 31.700 -0.265 0.000 1.893 1061 G N 0.740 109.233 108.800 -0.510 0.000 2.489 1061 G HA2 0.435 4.395 3.960 0.002 0.000 0.305 1061 G HA3 0.435 4.395 3.960 0.002 0.000 0.305 1061 G C -3.588 171.462 174.900 0.249 0.000 1.311 1061 G CA -1.056 43.987 45.100 -0.095 0.000 0.813 1061 G HN -0.184 nan 8.290 nan 0.000 0.480 1062 P HA 0.468 nan 4.420 nan 0.000 0.280 1062 P C -0.646 176.799 177.300 0.242 0.000 1.244 1062 P CA -0.020 63.201 63.100 0.202 0.000 0.784 1062 P CB 1.547 33.322 31.700 0.125 0.000 0.913 1063 S N 2.275 118.053 115.700 0.130 0.000 2.513 1063 S HA 0.603 5.074 4.470 0.002 0.000 0.299 1063 S C -0.919 173.765 174.600 0.140 0.000 1.087 1063 S CA -0.676 57.618 58.200 0.156 0.000 1.012 1063 S CB 0.715 63.950 63.200 0.058 0.000 1.044 1063 S HN 0.356 nan 8.310 nan 0.000 0.485 1064 L N 3.584 124.929 121.223 0.202 0.000 2.404 1064 L HA 0.641 4.982 4.340 0.002 0.000 0.272 1064 L C -1.678 175.348 176.870 0.260 0.000 0.980 1064 L CA -0.534 54.420 54.840 0.190 0.000 0.836 1064 L CB 1.366 43.488 42.059 0.104 0.000 1.238 1064 L HN 0.430 nan 8.230 nan 0.000 0.408 1065 V N 6.145 126.260 119.914 0.336 0.000 2.444 1065 V HA 0.479 4.600 4.120 0.002 0.000 0.294 1065 V C -0.012 176.226 176.094 0.241 0.000 1.022 1065 V CA -0.386 62.153 62.300 0.398 0.000 0.850 1065 V CB 2.060 34.287 31.823 0.674 0.000 0.992 1065 V HN 0.532 nan 8.190 nan 0.000 0.426 1066 I N 4.277 124.950 120.570 0.172 0.000 2.378 1066 I HA 0.775 4.946 4.170 0.002 0.000 0.291 1066 I C 0.309 176.536 176.117 0.182 0.000 0.992 1066 I CA -0.462 60.911 61.300 0.123 0.000 1.154 1066 I CB 1.790 39.917 38.000 0.212 0.000 1.315 1066 I HN 0.651 nan 8.210 nan 0.000 0.448 1067 A N 5.489 128.243 122.820 -0.110 0.000 2.340 1067 A HA 0.524 4.845 4.320 0.002 0.000 0.331 1067 A C -1.269 176.172 177.584 -0.237 0.000 1.140 1067 A CA -0.464 51.454 52.037 -0.197 0.000 0.801 1067 A CB 0.872 19.320 19.000 -0.920 0.000 1.234 1067 A HN 0.632 nan 8.150 nan 0.000 0.469 1068 Y N 2.003 121.998 120.300 -0.509 0.000 2.480 1068 Y HA 0.434 4.985 4.550 0.002 0.000 0.341 1068 Y C 0.340 176.046 175.900 -0.324 0.000 1.031 1068 Y CA -0.027 57.526 58.100 -0.911 0.000 1.295 1068 Y CB 0.400 38.082 38.460 -1.297 0.000 1.162 1068 Y HN 0.783 nan 8.280 nan 0.000 0.523 1069 A N 5.346 127.772 122.820 -0.656 0.000 2.287 1069 A HA 0.508 4.829 4.320 0.002 0.000 0.317 1069 A C -0.037 177.300 177.584 -0.412 0.000 1.220 1069 A CA -0.404 51.444 52.037 -0.315 0.000 0.835 1069 A CB 0.025 18.930 19.000 -0.158 0.000 1.180 1069 A HN 0.796 nan 8.150 nan 0.000 0.500 1070 T N -0.865 113.567 114.554 -0.203 0.000 2.898 1070 T HA 0.493 4.844 4.350 0.002 0.000 0.301 1070 T C 0.077 174.734 174.700 -0.072 0.000 1.049 1070 T CA -0.467 61.555 62.100 -0.130 0.000 1.095 1070 T CB 0.995 69.871 68.868 0.014 0.000 0.976 1070 T HN 1.268 nan 8.240 nan 0.000 0.539 1071 C N 2.729 121.996 119.300 -0.055 0.000 3.288 1071 C HA 0.550 5.011 4.460 0.002 0.000 0.318 1071 C C 1.715 176.695 174.990 -0.016 0.000 1.356 1071 C CA -0.861 58.144 59.018 -0.022 0.000 1.359 1071 C CB 0.226 27.951 27.740 -0.026 0.000 1.688 1071 C HN 1.083 nan 8.230 nan 0.000 0.467 1072 I N 0.885 121.454 120.570 -0.001 0.000 2.394 1072 I HA -0.074 4.097 4.170 0.002 0.000 0.251 1072 I C 1.698 177.800 176.117 -0.025 0.000 1.136 1072 I CA 1.919 63.215 61.300 -0.007 0.000 1.425 1072 I CB -0.659 37.345 38.000 0.006 0.000 1.079 1072 I HN 0.746 nan 8.210 nan 0.000 0.425 1073 N N 1.000 119.683 118.700 -0.029 0.000 2.348 1073 N HA -0.194 4.547 4.740 0.002 0.000 0.185 1073 N C 1.763 177.228 175.510 -0.076 0.000 1.019 1073 N CA 1.093 54.114 53.050 -0.048 0.000 0.880 1073 N CB -0.155 38.307 38.487 -0.042 0.000 0.965 1073 N HN 0.599 nan 8.380 nan 0.000 0.437 1074 Q N -0.084 119.672 119.800 -0.074 0.000 2.369 1074 Q HA 0.051 4.392 4.340 0.002 0.000 0.206 1074 Q C 0.755 176.697 176.000 -0.095 0.000 0.963 1074 Q CA 0.402 56.144 55.803 -0.101 0.000 0.894 1074 Q CB 0.367 29.062 28.738 -0.072 0.000 0.965 1074 Q HN 0.378 nan 8.270 nan 0.000 0.475 1075 G N 1.652 110.413 108.800 -0.066 0.000 2.333 1075 G HA2 -0.256 3.705 3.960 0.002 0.000 0.296 1075 G HA3 -0.256 3.705 3.960 0.002 0.000 0.296 1075 G C -0.265 174.609 174.900 -0.044 0.000 1.059 1075 G CA -0.281 44.787 45.100 -0.054 0.000 1.050 1075 G HN 0.242 nan 8.290 nan 0.000 0.508 1076 L N 0.321 121.526 121.223 -0.030 0.000 2.562 1076 L HA 0.108 4.449 4.340 0.002 0.000 0.271 1076 L C 2.155 179.015 176.870 -0.017 0.000 1.167 1076 L CA 0.284 55.112 54.840 -0.021 0.000 0.917 1076 L CB 0.421 42.481 42.059 0.001 0.000 1.187 1076 L HN 0.619 nan 8.230 nan 0.000 0.482 1077 R N 3.542 124.030 120.500 -0.021 0.000 2.241 1077 R HA -0.105 4.236 4.340 0.002 0.000 0.224 1077 R C 0.932 177.228 176.300 -0.007 0.000 1.101 1077 R CA 1.326 57.417 56.100 -0.016 0.000 0.995 1077 R CB 0.168 30.456 30.300 -0.020 0.000 0.870 1077 R HN 0.590 nan 8.270 nan 0.000 0.463 1078 K N -0.199 120.201 120.400 -0.001 0.000 2.402 1078 K HA 0.226 4.547 4.320 0.002 0.000 0.204 1078 K C -0.305 176.300 176.600 0.008 0.000 1.056 1078 K CA 0.365 56.655 56.287 0.005 0.000 1.069 1078 K CB 1.649 34.154 32.500 0.009 0.000 0.888 1078 K HN 0.391 nan 8.250 nan 0.000 0.546 1079 G N 0.789 109.593 108.800 0.007 0.000 2.459 1079 G HA2 -0.152 3.809 3.960 0.002 0.000 0.685 1079 G HA3 -0.152 3.809 3.960 0.002 0.000 0.685 1079 G C 0.053 174.963 174.900 0.016 0.000 1.303 1079 G CA -0.874 44.233 45.100 0.010 0.000 0.907 1079 G HN -0.130 nan 8.290 nan 0.000 0.632 1080 M N 1.055 120.665 119.600 0.017 0.000 2.619 1080 M HA 0.079 4.560 4.480 0.002 0.000 0.251 1080 M C 2.433 178.749 176.300 0.026 0.000 1.106 1080 M CA 1.581 56.895 55.300 0.022 0.000 1.086 1080 M CB -0.748 31.865 32.600 0.022 0.000 1.465 1080 M HN 0.956 nan 8.290 nan 0.000 0.506 1081 G N 0.352 109.166 108.800 0.023 0.000 2.625 1081 G HA2 -0.137 3.824 3.960 0.002 0.000 0.214 1081 G HA3 -0.137 3.824 3.960 0.002 0.000 0.214 1081 G C 1.445 176.363 174.900 0.030 0.000 1.132 1081 G CA 0.427 45.541 45.100 0.024 0.000 0.782 1081 G HN 0.279 nan 8.290 nan 0.000 0.538 1082 K N 0.743 121.163 120.400 0.034 0.000 2.397 1082 K HA 0.245 4.566 4.320 0.002 0.000 0.202 1082 K C 2.004 178.642 176.600 0.062 0.000 1.022 1082 K CA -0.040 56.274 56.287 0.045 0.000 1.141 1082 K CB 0.518 33.044 32.500 0.043 0.000 0.857 1082 K HN 0.139 nan 8.250 nan 0.000 0.514 1083 S N 1.703 117.437 115.700 0.057 0.000 2.359 1083 S HA -0.166 4.305 4.470 0.002 0.000 0.224 1083 S C 1.757 176.412 174.600 0.091 0.000 1.035 1083 S CA 1.255 59.501 58.200 0.076 0.000 1.018 1083 S CB 0.012 63.242 63.200 0.050 0.000 0.876 1083 S HN 0.330 nan 8.310 nan 0.000 0.448 1084 Q N 0.738 120.574 119.800 0.060 0.000 2.124 1084 Q HA -0.132 4.209 4.340 0.002 0.000 0.202 1084 Q C 1.848 177.894 176.000 0.077 0.000 0.977 1084 Q CA 1.384 57.221 55.803 0.056 0.000 0.850 1084 Q CB -0.612 28.146 28.738 0.034 0.000 0.901 1084 Q HN 0.573 nan 8.270 nan 0.000 0.429 1085 D N -0.286 120.159 120.400 0.076 0.000 2.149 1085 D HA -0.090 4.551 4.640 0.002 0.000 0.201 1085 D C 1.843 178.213 176.300 0.117 0.000 0.972 1085 D CA 0.512 54.561 54.000 0.083 0.000 0.835 1085 D CB 0.292 41.132 40.800 0.068 0.000 0.966 1085 D HN -0.023 nan 8.370 nan 0.000 0.476 1086 V N 0.380 120.383 119.914 0.149 0.000 2.515 1086 V HA -0.211 3.910 4.120 0.002 0.000 0.250 1086 V C 2.344 178.570 176.094 0.220 0.000 1.058 1086 V CA 1.433 63.876 62.300 0.238 0.000 1.064 1086 V CB -0.414 31.561 31.823 0.254 0.000 0.675 1086 V HN 0.324 nan 8.190 nan 0.000 0.461 1087 M N -0.157 119.556 119.600 0.188 0.000 2.229 1087 M HA -0.149 4.332 4.480 0.002 0.000 0.264 1087 M C 2.072 178.404 176.300 0.053 0.000 1.063 1087 M CA 1.820 57.198 55.300 0.130 0.000 1.114 1087 M CB -0.681 32.036 32.600 0.194 0.000 1.387 1087 M HN 0.447 nan 8.290 nan 0.000 0.420 1088 N N -0.309 118.456 118.700 0.110 0.000 2.106 1088 N HA -0.132 4.609 4.740 0.002 0.000 0.188 1088 N C 1.376 176.942 175.510 0.093 0.000 1.029 1088 N CA 1.475 54.625 53.050 0.167 0.000 0.848 1088 N CB 0.204 38.772 38.487 0.134 0.000 1.007 1088 N HN 0.202 nan 8.380 nan 0.000 0.423 1089 T N 0.220 114.790 114.554 0.027 0.000 2.867 1089 T HA -0.007 4.344 4.350 0.002 0.000 0.268 1089 T C 1.826 176.292 174.700 -0.389 0.000 1.057 1089 T CA 0.948 63.011 62.100 -0.062 0.000 1.136 1089 T CB -0.257 68.668 68.868 0.096 0.000 0.874 1089 T HN 0.396 nan 8.240 nan 0.000 0.466 1090 A N 0.801 123.295 122.820 -0.543 0.000 1.972 1090 A HA -0.040 4.281 4.320 0.002 0.000 0.219 1090 A C 2.469 179.831 177.584 -0.369 0.000 1.169 1090 A CA 1.310 52.831 52.037 -0.860 0.000 0.635 1090 A CB -0.689 17.766 19.000 -0.909 0.000 0.810 1090 A HN 0.395 nan 8.150 nan 0.000 0.446 1091 V N -0.248 119.510 119.914 -0.261 0.000 2.331 1091 V HA -0.158 3.963 4.120 0.002 0.000 0.242 1091 V C 2.301 178.240 176.094 -0.258 0.000 1.034 1091 V CA 1.905 64.038 62.300 -0.278 0.000 1.027 1091 V CB -0.666 30.764 31.823 -0.654 0.000 0.667 1091 V HN 0.480 nan 8.190 nan 0.000 0.457 1092 K N 1.379 121.676 120.400 -0.172 0.000 2.103 1092 K HA -0.164 4.157 4.320 0.002 0.000 0.207 1092 K C 2.287 178.819 176.600 -0.114 0.000 1.048 1092 K CA 1.834 58.076 56.287 -0.075 0.000 0.930 1092 K CB -0.389 32.129 32.500 0.031 0.000 0.716 1092 K HN 0.615 nan 8.250 nan 0.000 0.444 1093 S N -0.544 115.062 115.700 -0.158 0.000 2.515 1093 S HA 0.013 4.484 4.470 0.002 0.000 0.231 1093 S C 1.533 176.064 174.600 -0.116 0.000 0.987 1093 S CA 0.788 58.904 58.200 -0.140 0.000 0.936 1093 S CB 0.023 63.095 63.200 -0.213 0.000 0.766 1093 S HN 0.487 nan 8.310 nan 0.000 0.528 1094 G N 0.205 108.932 108.800 -0.120 0.000 2.175 1094 G HA2 -0.381 3.580 3.960 0.002 0.000 0.244 1094 G HA3 -0.381 3.580 3.960 0.002 0.000 0.244 1094 G C 0.355 175.276 174.900 0.035 0.000 0.982 1094 G CA 0.378 45.436 45.100 -0.069 0.000 0.641 1094 G HN 0.609 nan 8.290 nan 0.000 0.527 1095 Y N -0.426 119.785 120.300 -0.148 0.000 2.274 1095 Y HA 0.173 4.724 4.550 0.002 0.000 0.290 1095 Y C 1.286 177.219 175.900 0.055 0.000 1.145 1095 Y CA 1.931 59.980 58.100 -0.085 0.000 1.203 1095 Y CB 0.202 38.489 38.460 -0.289 0.000 0.984 1095 Y HN 0.371 nan 8.280 nan 0.000 0.533 1096 W N 4.427 125.648 121.300 -0.133 0.000 2.237 1096 W HA 0.301 4.961 4.660 0.001 0.000 0.289 1096 W C -3.011 173.444 176.519 -0.106 0.000 0.988 1096 W CA -2.115 55.139 57.345 -0.151 0.000 1.671 1096 W CB 0.835 30.176 29.460 -0.199 0.000 1.746 1096 W HN -0.053 nan 8.180 nan 0.000 0.380 1097 P HA 0.147 nan 4.420 nan 0.000 0.272 1097 P C -0.485 176.737 177.300 -0.130 0.000 1.223 1097 P CA 0.234 63.371 63.100 0.062 0.000 0.784 1097 P CB 1.850 33.738 31.700 0.314 0.000 0.923 1098 L N 3.187 124.364 121.223 -0.078 0.000 2.307 1098 L HA 0.584 4.925 4.340 0.002 0.000 0.284 1098 L C 0.126 176.918 176.870 -0.129 0.000 1.023 1098 L CA -0.708 54.002 54.840 -0.217 0.000 0.810 1098 L CB 0.545 42.592 42.059 -0.021 0.000 1.231 1098 L HN 0.426 nan 8.230 nan 0.000 0.423 1099 F N 0.397 120.299 119.950 -0.080 0.000 2.711 1099 F HA 0.772 5.300 4.527 0.001 0.000 0.313 1099 F C -0.938 174.707 175.800 -0.258 0.000 1.141 1099 F CA -1.369 56.465 58.000 -0.276 0.000 0.941 1099 F CB 1.623 40.382 39.000 -0.402 0.000 1.349 1099 F HN 0.214 nan 8.300 nan 0.000 0.464 1100 R N 0.562 120.973 120.500 -0.148 0.000 2.574 1100 R HA 0.402 4.743 4.340 0.002 0.000 0.288 1100 R C -2.345 173.793 176.300 -0.270 0.000 1.004 1100 R CA -0.904 55.089 56.100 -0.180 0.000 0.895 1100 R CB 2.493 32.716 30.300 -0.128 0.000 1.191 1100 R HN 0.820 nan 8.270 nan 0.000 0.444 1101 Y N 2.509 122.566 120.300 -0.405 0.000 2.388 1101 Y HA 0.252 4.803 4.550 0.001 0.000 0.328 1101 Y C -0.968 174.613 175.900 -0.532 0.000 0.963 1101 Y CA -0.830 57.096 58.100 -0.291 0.000 1.240 1101 Y CB 1.021 39.424 38.460 -0.095 0.000 1.118 1101 Y HN 0.454 nan 8.280 nan 0.000 0.484 1102 D N 8.556 128.648 120.400 -0.514 0.000 2.460 1102 D HA 0.316 4.957 4.640 0.002 0.000 0.232 1102 D C -2.153 173.924 176.300 -0.373 0.000 1.079 1102 D CA -2.541 51.264 54.000 -0.325 0.000 0.864 1102 D CB 2.069 42.825 40.800 -0.073 0.000 1.048 1102 D HN 0.316 nan 8.370 nan 0.000 0.523 1103 P HA -0.127 nan 4.420 nan 0.000 0.223 1103 P C 1.247 178.481 177.300 -0.109 0.000 1.144 1103 P CA 0.725 63.638 63.100 -0.312 0.000 0.783 1103 P CB 0.113 31.478 31.700 -0.560 0.000 0.771 1104 R N -0.235 120.266 120.500 0.002 0.000 2.236 1104 R HA 0.041 4.382 4.340 0.002 0.000 0.208 1104 R C 1.678 178.047 176.300 0.114 0.000 1.036 1104 R CA 0.947 57.183 56.100 0.227 0.000 1.001 1104 R CB -1.411 29.082 30.300 0.322 0.000 0.896 1104 R HN 0.272 nan 8.270 nan 0.000 0.464 1105 L N 0.772 121.979 121.223 -0.027 0.000 2.131 1105 L HA 0.096 4.437 4.340 0.002 0.000 0.206 1105 L C 2.774 179.542 176.870 -0.170 0.000 1.087 1105 L CA 1.006 55.782 54.840 -0.107 0.000 0.767 1105 L CB -0.547 41.397 42.059 -0.192 0.000 0.917 1105 L HN 0.208 nan 8.230 nan 0.000 0.441 1106 A N 0.444 123.153 122.820 -0.186 0.000 1.972 1106 A HA -0.141 4.180 4.320 0.002 0.000 0.219 1106 A C 2.500 180.098 177.584 0.022 0.000 1.169 1106 A CA 1.596 53.529 52.037 -0.173 0.000 0.635 1106 A CB -0.556 18.411 19.000 -0.055 0.000 0.810 1106 A HN 0.383 nan 8.150 nan 0.000 0.446 1107 A N -0.876 122.024 122.820 0.134 0.000 2.070 1107 A HA -0.161 4.160 4.320 0.002 0.000 0.220 1107 A C 1.945 179.580 177.584 0.086 0.000 1.159 1107 A CA 1.481 53.617 52.037 0.165 0.000 0.656 1107 A CB -0.384 18.775 19.000 0.265 0.000 0.800 1107 A HN 0.660 nan 8.150 nan 0.000 0.453 1108 Q N -1.726 118.097 119.800 0.039 0.000 2.360 1108 Q HA 0.268 4.609 4.340 0.002 0.000 0.202 1108 Q C 1.068 177.070 176.000 0.005 0.000 0.915 1108 Q CA 0.316 56.129 55.803 0.017 0.000 0.943 1108 Q CB 0.192 28.928 28.738 -0.003 0.000 1.064 1108 Q HN 0.838 nan 8.270 nan 0.000 0.511 1109 G N 1.383 110.184 108.800 0.003 0.000 2.143 1109 G HA2 -0.291 3.670 3.960 0.002 0.000 0.249 1109 G HA3 -0.291 3.670 3.960 0.002 0.000 0.249 1109 G C -0.037 174.822 174.900 -0.069 0.000 0.981 1109 G CA 0.232 45.379 45.100 0.077 0.000 0.665 1109 G HN 0.213 nan 8.290 nan 0.000 0.528 1110 K N -0.209 119.985 120.400 -0.344 0.000 2.139 1110 K HA 0.366 4.687 4.320 0.002 0.000 0.243 1110 K C 0.257 176.169 176.600 -1.146 0.000 0.983 1110 K CA -0.816 55.168 56.287 -0.504 0.000 0.890 1110 K CB 0.971 33.331 32.500 -0.232 0.000 1.090 1110 K HN 0.177 nan 8.250 nan 0.000 0.445 1111 N N 2.664 120.814 118.700 -0.917 0.000 2.427 1111 N HA 0.003 4.744 4.740 0.002 0.000 0.269 1111 N C -1.633 173.605 175.510 -0.453 0.000 1.235 1111 N CA -1.384 51.237 53.050 -0.713 0.000 0.934 1111 N CB 0.718 39.187 38.487 -0.030 0.000 1.121 1111 N HN 0.302 nan 8.380 nan 0.000 0.480 1112 P HA -0.139 nan 4.420 nan 0.000 0.221 1112 P C 0.044 177.035 177.300 -0.515 0.000 1.150 1112 P CA 0.754 63.485 63.100 -0.615 0.000 0.800 1112 P CB 0.085 31.185 31.700 -0.999 0.000 0.787 1113 F N 1.766 121.470 119.950 -0.411 0.000 2.420 1113 F HA 0.266 4.793 4.527 0.001 0.000 0.352 1113 F C 0.186 175.922 175.800 -0.106 0.000 1.108 1113 F CA -0.196 57.694 58.000 -0.183 0.000 1.162 1113 F CB 0.588 39.555 39.000 -0.054 0.000 1.118 1113 F HN -0.187 nan 8.300 nan 0.000 0.510 1114 Q N 6.719 126.052 119.800 -0.779 0.000 2.320 1114 Q HA 0.369 4.710 4.340 0.002 0.000 0.268 1114 Q C -1.125 174.527 176.000 -0.581 0.000 1.023 1114 Q CA -0.592 54.926 55.803 -0.474 0.000 0.744 1114 Q CB 2.415 31.002 28.738 -0.252 0.000 1.246 1114 Q HN 0.648 nan 8.270 nan 0.000 0.462 1115 L N 3.258 124.281 121.223 -0.334 0.000 2.281 1115 L HA 0.185 4.526 4.340 0.002 0.000 0.285 1115 L C -0.076 176.792 176.870 -0.003 0.000 1.074 1115 L CA 0.094 54.850 54.840 -0.139 0.000 0.817 1115 L CB 0.780 42.833 42.059 -0.010 0.000 1.168 1115 L HN 0.773 nan 8.230 nan 0.000 0.434 1116 D N 1.145 121.573 120.400 0.046 0.000 2.367 1116 D HA 0.036 4.677 4.640 0.002 0.000 0.207 1116 D C 0.713 177.128 176.300 0.193 0.000 1.034 1116 D CA 0.348 54.415 54.000 0.112 0.000 0.861 1116 D CB 0.637 41.505 40.800 0.114 0.000 0.943 1116 D HN 0.536 nan 8.370 nan 0.000 0.515 1117 S N -0.498 115.316 115.700 0.190 0.000 2.689 1117 S HA 0.540 5.011 4.470 0.002 0.000 0.306 1117 S C 0.044 174.833 174.600 0.314 0.000 1.104 1117 S CA -0.894 57.415 58.200 0.183 0.000 0.973 1117 S CB 2.644 65.815 63.200 -0.048 0.000 1.121 1117 S HN -0.232 nan 8.310 nan 0.000 0.523 1118 K N 0.278 120.800 120.400 0.204 0.000 2.109 1118 K HA 0.640 4.961 4.320 0.002 0.000 0.243 1118 K C 0.276 176.698 176.600 -0.297 0.000 1.006 1118 K CA -0.679 55.682 56.287 0.123 0.000 0.917 1118 K CB 1.037 33.580 32.500 0.071 0.000 1.081 1118 K HN 0.829 nan 8.250 nan 0.000 0.468 1119 A N 2.047 124.530 122.820 -0.561 0.000 2.520 1119 A HA 0.165 4.486 4.320 0.002 0.000 0.235 1119 A C -2.114 175.076 177.584 -0.657 0.000 1.065 1119 A CA -0.784 50.554 52.037 -1.165 0.000 0.764 1119 A CB -0.838 17.834 19.000 -0.547 0.000 1.002 1119 A HN 0.370 nan 8.150 nan 0.000 0.502 1120 P HA -0.035 nan 4.420 nan 0.000 0.259 1120 P C -0.240 176.950 177.300 -0.184 0.000 1.163 1120 P CA 0.775 63.697 63.100 -0.297 0.000 0.760 1120 P CB 0.414 31.985 31.700 -0.216 0.000 0.762 1121 D N 2.363 122.689 120.400 -0.124 0.000 2.328 1121 D HA 0.085 4.726 4.640 0.002 0.000 0.221 1121 D C 1.251 177.523 176.300 -0.047 0.000 1.072 1121 D CA 0.210 54.166 54.000 -0.074 0.000 0.850 1121 D CB -0.698 40.073 40.800 -0.047 0.000 0.922 1121 D HN 0.521 nan 8.370 nan 0.000 0.516 1122 G N 0.397 109.167 108.800 -0.049 0.000 2.143 1122 G HA2 -0.307 3.654 3.960 0.002 0.000 0.248 1122 G HA3 -0.307 3.654 3.960 0.002 0.000 0.248 1122 G C 0.745 175.641 174.900 -0.008 0.000 0.991 1122 G CA 0.627 45.712 45.100 -0.024 0.000 0.689 1122 G HN 0.772 nan 8.290 nan 0.000 0.522 1123 S N -1.207 114.489 115.700 -0.006 0.000 2.602 1123 S HA 0.406 4.877 4.470 0.002 0.000 0.240 1123 S C 1.996 176.624 174.600 0.047 0.000 0.992 1123 S CA 0.857 59.068 58.200 0.018 0.000 0.971 1123 S CB 0.676 63.889 63.200 0.021 0.000 0.855 1123 S HN 0.847 nan 8.310 nan 0.000 0.481 1124 V N 1.427 121.363 119.914 0.038 0.000 2.252 1124 V HA -0.240 3.881 4.120 0.002 0.000 0.249 1124 V C 2.771 178.903 176.094 0.063 0.000 1.056 1124 V CA 2.311 64.659 62.300 0.080 0.000 1.022 1124 V CB -1.337 30.526 31.823 0.067 0.000 0.641 1124 V HN 0.643 nan 8.190 nan 0.000 0.445 1125 E N 0.988 121.199 120.200 0.018 0.000 2.108 1125 E HA -0.316 4.035 4.350 0.002 0.000 0.203 1125 E C 2.232 178.821 176.600 -0.019 0.000 1.022 1125 E CA 2.387 58.780 56.400 -0.013 0.000 0.823 1125 E CB -0.462 29.237 29.700 -0.001 0.000 0.744 1125 E HN 0.742 nan 8.360 nan 0.000 0.456 1126 E N -1.259 118.950 120.200 0.014 0.000 2.047 1126 E HA -0.175 4.176 4.350 0.002 0.000 0.191 1126 E C 2.009 178.614 176.600 0.008 0.000 0.987 1126 E CA 1.035 57.444 56.400 0.014 0.000 0.799 1126 E CB -0.408 29.312 29.700 0.032 0.000 0.752 1126 E HN 0.425 nan 8.360 nan 0.000 0.449 1127 F N 1.583 121.477 119.950 -0.093 0.000 2.161 1127 F HA -0.182 4.345 4.527 0.001 0.000 0.300 1127 F C 1.767 177.476 175.800 -0.152 0.000 1.089 1127 F CA 1.382 59.307 58.000 -0.126 0.000 1.282 1127 F CB -0.122 38.769 39.000 -0.182 0.000 1.010 1127 F HN 0.001 nan 8.300 nan 0.000 0.485 1128 L N -0.764 120.189 121.223 -0.450 0.000 2.095 1128 L HA -0.159 4.182 4.340 0.002 0.000 0.204 1128 L C 2.374 179.132 176.870 -0.185 0.000 1.080 1128 L CA 0.684 55.185 54.840 -0.565 0.000 0.759 1128 L CB -0.697 40.938 42.059 -0.706 0.000 0.914 1128 L HN 0.122 nan 8.230 nan 0.000 0.439 1129 M N -0.087 119.439 119.600 -0.124 0.000 2.549 1129 M HA -0.034 4.447 4.480 0.002 0.000 0.260 1129 M C 2.033 178.304 176.300 -0.047 0.000 1.076 1129 M CA 0.882 56.157 55.300 -0.041 0.000 1.090 1129 M CB -0.992 31.590 32.600 -0.029 0.000 1.418 1129 M HN 0.252 nan 8.290 nan 0.000 0.486 1130 A N -0.409 122.351 122.820 -0.100 0.000 2.251 1130 A HA 0.095 4.416 4.320 0.002 0.000 0.209 1130 A C 0.640 178.171 177.584 -0.088 0.000 1.187 1130 A CA 0.122 52.108 52.037 -0.084 0.000 0.823 1130 A CB 0.014 18.963 19.000 -0.086 0.000 0.846 1130 A HN 0.490 nan 8.150 nan 0.000 0.486 1131 Q N -0.883 118.870 119.800 -0.079 0.000 2.353 1131 Q HA 0.281 4.622 4.340 0.002 0.000 0.268 1131 Q C 0.234 176.221 176.000 -0.022 0.000 1.045 1131 Q CA -0.610 55.159 55.803 -0.056 0.000 0.811 1131 Q CB 1.493 30.196 28.738 -0.059 0.000 1.305 1131 Q HN 0.425 nan 8.270 nan 0.000 0.447 1132 N N 1.705 120.372 118.700 -0.056 0.000 2.396 1132 N HA -0.127 4.614 4.740 0.002 0.000 0.180 1132 N C 1.329 176.777 175.510 -0.104 0.000 1.028 1132 N CA 0.606 53.620 53.050 -0.059 0.000 0.893 1132 N CB 0.379 38.831 38.487 -0.059 0.000 0.967 1132 N HN 0.540 nan 8.380 nan 0.000 0.440 1133 R N -0.897 119.482 120.500 -0.203 0.000 2.193 1133 R HA -0.079 4.262 4.340 0.002 0.000 0.229 1133 R C 0.907 176.965 176.300 -0.405 0.000 1.110 1133 R CA 1.165 57.059 56.100 -0.344 0.000 0.988 1133 R CB -0.384 29.613 30.300 -0.505 0.000 0.871 1133 R HN 0.155 nan 8.270 nan 0.000 0.458 1134 F N 0.620 120.542 119.950 -0.046 0.000 2.514 1134 F HA 0.405 4.934 4.527 0.002 0.000 0.281 1134 F C 2.598 178.380 175.800 -0.030 0.000 1.060 1134 F CA 0.255 58.236 58.000 -0.031 0.000 1.397 1134 F CB -0.467 38.494 39.000 -0.065 0.000 1.129 1134 F HN 0.042 nan 8.300 nan 0.000 0.620 1135 A N 0.506 123.403 122.820 0.128 0.000 2.019 1135 A HA -0.095 4.226 4.320 0.002 0.000 0.219 1135 A C 2.165 179.757 177.584 0.013 0.000 1.164 1135 A CA 1.939 54.008 52.037 0.053 0.000 0.644 1135 A CB -1.302 17.707 19.000 0.017 0.000 0.805 1135 A HN 0.231 nan 8.150 nan 0.000 0.449 1136 V N -1.736 118.174 119.914 -0.007 0.000 2.427 1136 V HA -0.188 3.933 4.120 0.002 0.000 0.248 1136 V C 2.271 178.340 176.094 -0.041 0.000 1.051 1136 V CA 1.482 63.758 62.300 -0.039 0.000 1.048 1136 V CB -1.062 30.730 31.823 -0.052 0.000 0.666 1136 V HN 0.478 nan 8.190 nan 0.000 0.456 1137 L N 0.459 121.698 121.223 0.027 0.000 2.083 1137 L HA -0.176 4.165 4.340 0.002 0.000 0.209 1137 L C 2.430 179.326 176.870 0.042 0.000 1.083 1137 L CA 2.570 57.460 54.840 0.084 0.000 0.752 1137 L CB -0.609 41.553 42.059 0.170 0.000 0.899 1137 L HN 0.450 nan 8.230 nan 0.000 0.433 1138 D N -0.338 120.085 120.400 0.038 0.000 2.144 1138 D HA -0.185 4.456 4.640 0.002 0.000 0.199 1138 D C 2.295 178.579 176.300 -0.027 0.000 0.984 1138 D CA 1.161 55.175 54.000 0.023 0.000 0.834 1138 D CB 0.218 41.034 40.800 0.027 0.000 0.955 1138 D HN 0.121 nan 8.370 nan 0.000 0.465 1139 R N -0.635 119.826 120.500 -0.065 0.000 2.093 1139 R HA 0.086 4.427 4.340 0.002 0.000 0.224 1139 R C 2.263 178.447 176.300 -0.193 0.000 1.101 1139 R CA 1.024 57.063 56.100 -0.102 0.000 0.979 1139 R CB 0.078 30.321 30.300 -0.095 0.000 0.877 1139 R HN 0.059 nan 8.270 nan 0.000 0.441 1140 S N -0.131 115.372 115.700 -0.328 0.000 2.371 1140 S HA 0.090 4.561 4.470 0.002 0.000 0.219 1140 S C 0.076 174.149 174.600 -0.879 0.000 1.040 1140 S CA 0.690 58.467 58.200 -0.705 0.000 0.958 1140 S CB 0.224 62.796 63.200 -1.046 0.000 0.860 1140 S HN 0.069 nan 8.310 nan 0.000 0.487 1141 F N 1.490 121.448 119.950 0.012 0.000 2.371 1141 F HA 0.437 4.965 4.527 0.002 0.000 0.343 1141 F C -2.265 173.548 175.800 0.020 0.000 1.150 1141 F CA -2.835 55.175 58.000 0.016 0.000 1.220 1141 F CB 0.542 39.553 39.000 0.019 0.000 1.475 1141 F HN 0.041 nan 8.300 nan 0.000 0.521 1142 P HA -0.235 nan 4.420 nan 0.000 0.216 1142 P C 1.391 178.741 177.300 0.083 0.000 1.157 1142 P CA 1.967 65.107 63.100 0.066 0.000 0.880 1142 P CB 0.198 31.918 31.700 0.033 0.000 0.791 1143 E N -0.819 119.437 120.200 0.093 0.000 2.152 1143 E HA -0.154 4.197 4.350 0.002 0.000 0.192 1143 E C 1.261 177.909 176.600 0.080 0.000 0.983 1143 E CA 1.019 57.463 56.400 0.073 0.000 0.818 1143 E CB -0.950 28.785 29.700 0.059 0.000 0.758 1143 E HN 0.172 nan 8.360 nan 0.000 0.467 1144 D N 1.463 121.929 120.400 0.110 0.000 2.178 1144 D HA -0.029 4.612 4.640 0.002 0.000 0.202 1144 D C 1.961 178.327 176.300 0.110 0.000 0.974 1144 D CA 1.470 55.529 54.000 0.098 0.000 0.841 1144 D CB -0.153 40.707 40.800 0.100 0.000 0.953 1144 D HN 0.311 nan 8.370 nan 0.000 0.478 1145 A N 0.759 123.657 122.820 0.131 0.000 1.873 1145 A HA -0.182 4.139 4.320 0.002 0.000 0.215 1145 A C 2.054 179.691 177.584 0.087 0.000 1.186 1145 A CA 1.449 53.559 52.037 0.122 0.000 0.616 1145 A CB -0.447 18.623 19.000 0.116 0.000 0.823 1145 A HN 0.114 nan 8.150 nan 0.000 0.442 1146 K N -0.486 119.955 120.400 0.068 0.000 2.147 1146 K HA -0.152 4.169 4.320 0.002 0.000 0.205 1146 K C 2.299 178.927 176.600 0.046 0.000 1.049 1146 K CA 1.291 57.607 56.287 0.048 0.000 0.936 1146 K CB -0.157 32.367 32.500 0.039 0.000 0.722 1146 K HN 0.437 nan 8.250 nan 0.000 0.446 1147 R N 0.245 120.776 120.500 0.052 0.000 2.061 1147 R HA -0.064 4.277 4.340 0.002 0.000 0.230 1147 R C 2.428 178.760 176.300 0.053 0.000 1.140 1147 R CA 1.494 57.621 56.100 0.044 0.000 0.940 1147 R CB -0.331 29.994 30.300 0.041 0.000 0.839 1147 R HN 0.178 nan 8.270 nan 0.000 0.429 1148 L N 0.151 121.417 121.223 0.072 0.000 2.201 1148 L HA -0.117 4.224 4.340 0.002 0.000 0.212 1148 L C 2.520 179.442 176.870 0.088 0.000 1.105 1148 L CA 1.134 56.028 54.840 0.090 0.000 0.775 1148 L CB -0.290 41.840 42.059 0.117 0.000 0.913 1148 L HN 0.133 nan 8.230 nan 0.000 0.440 1149 R N -0.075 120.465 120.500 0.067 0.000 2.115 1149 R HA -0.034 4.307 4.340 0.002 0.000 0.226 1149 R C 2.377 178.700 176.300 0.039 0.000 1.100 1149 R CA 1.138 57.255 56.100 0.028 0.000 0.980 1149 R CB -0.318 29.983 30.300 0.001 0.000 0.875 1149 R HN 0.334 nan 8.270 nan 0.000 0.445 1150 A N 0.817 123.666 122.820 0.047 0.000 1.968 1150 A HA -0.169 4.152 4.320 0.002 0.000 0.217 1150 A C 2.058 179.692 177.584 0.082 0.000 1.169 1150 A CA 0.869 52.938 52.037 0.053 0.000 0.638 1150 A CB -0.273 18.749 19.000 0.036 0.000 0.812 1150 A HN 0.293 nan 8.150 nan 0.000 0.446 1151 Q N -0.242 119.607 119.800 0.082 0.000 2.016 1151 Q HA -0.121 4.220 4.340 0.002 0.000 0.200 1151 Q C 1.987 178.073 176.000 0.143 0.000 0.978 1151 Q CA 1.891 57.761 55.803 0.111 0.000 0.833 1151 Q CB -0.194 28.597 28.738 0.088 0.000 0.895 1151 Q HN 0.383 nan 8.270 nan 0.000 0.427 1152 V N 1.040 121.025 119.914 0.117 0.000 2.392 1152 V HA -0.307 3.814 4.120 0.002 0.000 0.249 1152 V C 2.294 178.455 176.094 0.110 0.000 1.059 1152 V CA 1.895 64.269 62.300 0.122 0.000 1.051 1152 V CB -0.936 30.965 31.823 0.131 0.000 0.658 1152 V HN 0.509 nan 8.190 nan 0.000 0.455 1153 A N -1.170 121.710 122.820 0.100 0.000 1.929 1153 A HA -0.248 4.073 4.320 0.002 0.000 0.216 1153 A C 2.249 179.882 177.584 0.083 0.000 1.176 1153 A CA 1.699 53.786 52.037 0.083 0.000 0.628 1153 A CB -0.822 18.218 19.000 0.067 0.000 0.816 1153 A HN 0.716 nan 8.150 nan 0.000 0.444 1154 H N -0.025 119.062 119.070 0.029 0.000 2.353 1154 H HA -0.098 4.459 4.556 0.001 0.000 0.300 1154 H C 1.844 177.185 175.328 0.021 0.000 1.090 1154 H CA 1.852 57.912 56.048 0.020 0.000 1.327 1154 H CB 0.034 29.805 29.762 0.016 0.000 1.383 1154 H HN 0.637 nan 8.280 nan 0.000 0.508 1155 E N 0.448 120.614 120.200 -0.058 0.000 2.051 1155 E HA -0.166 4.185 4.350 0.002 0.000 0.192 1155 E C 2.494 179.029 176.600 -0.108 0.000 0.991 1155 E CA 1.411 57.748 56.400 -0.105 0.000 0.799 1155 E CB -0.077 29.630 29.700 0.012 0.000 0.748 1155 E HN 0.484 nan 8.360 nan 0.000 0.449 1156 L N -0.495 120.704 121.223 -0.039 0.000 2.275 1156 L HA 0.012 4.353 4.340 0.002 0.000 0.215 1156 L C 1.644 178.515 176.870 0.002 0.000 1.119 1156 L CA 1.725 56.559 54.840 -0.011 0.000 0.790 1156 L CB -0.386 41.690 42.059 0.029 0.000 0.919 1156 L HN -0.110 nan 8.230 nan 0.000 0.443 1157 D N 0.215 120.582 120.400 -0.056 0.000 2.091 1157 D HA -0.133 4.508 4.640 0.002 0.000 0.199 1157 D C 2.102 178.366 176.300 -0.059 0.000 0.980 1157 D CA 1.390 55.364 54.000 -0.044 0.000 0.831 1157 D CB 0.106 40.865 40.800 -0.068 0.000 0.987 1157 D HN 0.117 nan 8.370 nan 0.000 0.460 1158 V N 0.446 120.238 119.914 -0.203 0.000 2.343 1158 V HA -0.226 3.895 4.120 0.002 0.000 0.247 1158 V C 2.484 178.507 176.094 -0.117 0.000 1.051 1158 V CA 1.911 64.095 62.300 -0.193 0.000 1.036 1158 V CB -0.537 31.100 31.823 -0.311 0.000 0.654 1158 V HN 0.187 nan 8.190 nan 0.000 0.451 1159 R N -0.636 119.804 120.500 -0.100 0.000 2.080 1159 R HA -0.220 4.121 4.340 0.002 0.000 0.236 1159 R C 2.248 178.514 176.300 -0.057 0.000 1.137 1159 R CA 2.192 58.239 56.100 -0.088 0.000 0.943 1159 R CB -0.513 29.743 30.300 -0.073 0.000 0.846 1159 R HN 0.437 nan 8.270 nan 0.000 0.431 1160 F N 1.458 121.359 119.950 -0.082 0.000 2.161 1160 F HA -0.195 4.334 4.527 0.004 0.000 0.300 1160 F C 1.968 177.746 175.800 -0.037 0.000 1.089 1160 F CA 1.754 59.731 58.000 -0.038 0.000 1.282 1160 F CB 0.042 39.029 39.000 -0.021 0.000 1.010 1160 F HN -0.012 nan 8.300 nan 0.000 0.485 1161 K N -0.068 120.390 120.400 0.097 0.000 2.097 1161 K HA -0.162 4.159 4.320 0.002 0.000 0.205 1161 K C 1.959 178.506 176.600 -0.089 0.000 1.050 1161 K CA 1.637 57.942 56.287 0.030 0.000 0.938 1161 K CB -0.165 32.338 32.500 0.005 0.000 0.718 1161 K HN 0.378 nan 8.250 nan 0.000 0.442 1162 E N 0.574 120.681 120.200 -0.154 0.000 2.150 1162 E HA -0.130 4.221 4.350 0.002 0.000 0.193 1162 E C 1.945 178.390 176.600 -0.258 0.000 0.985 1162 E CA 0.716 56.992 56.400 -0.207 0.000 0.814 1162 E CB 0.048 29.613 29.700 -0.225 0.000 0.752 1162 E HN 0.248 nan 8.360 nan 0.000 0.466 1163 L N 0.767 121.790 121.223 -0.335 0.000 2.109 1163 L HA -0.146 4.195 4.340 0.002 0.000 0.207 1163 L C 2.288 178.984 176.870 -0.291 0.000 1.086 1163 L CA 1.043 55.615 54.840 -0.446 0.000 0.760 1163 L CB -0.278 41.516 42.059 -0.442 0.000 0.910 1163 L HN 0.113 nan 8.230 nan 0.000 0.437 1164 E N -0.918 119.129 120.200 -0.255 0.000 2.106 1164 E HA -0.230 4.121 4.350 0.002 0.000 0.192 1164 E C 2.099 178.699 176.600 0.000 0.000 0.984 1164 E CA 0.730 57.073 56.400 -0.095 0.000 0.806 1164 E CB -0.060 29.634 29.700 -0.010 0.000 0.750 1164 E HN 0.499 nan 8.360 nan 0.000 0.458 1165 H N 0.212 119.201 119.070 -0.135 0.000 2.353 1165 H HA -0.100 4.457 4.556 0.001 0.000 0.300 1165 H C 2.205 177.450 175.328 -0.138 0.000 1.090 1165 H CA 1.379 57.357 56.048 -0.116 0.000 1.327 1165 H CB 0.126 29.809 29.762 -0.132 0.000 1.383 1165 H HN 0.165 nan 8.280 nan 0.000 0.508 1166 M N -0.198 119.311 119.600 -0.152 0.000 2.117 1166 M HA -0.154 4.327 4.480 0.002 0.000 0.262 1166 M C 2.799 179.066 176.300 -0.055 0.000 1.065 1166 M CA 1.424 56.560 55.300 -0.273 0.000 1.114 1166 M CB -0.230 31.871 32.600 -0.833 0.000 1.361 1166 M HN 0.290 nan 8.290 nan 0.000 0.408 1167 A N 0.167 123.039 122.820 0.086 0.000 1.972 1167 A HA 0.024 4.345 4.320 0.002 0.000 0.219 1167 A C 2.098 179.749 177.584 0.112 0.000 1.169 1167 A CA 1.776 53.950 52.037 0.229 0.000 0.635 1167 A CB -0.661 18.471 19.000 0.221 0.000 0.810 1167 A HN 0.518 nan 8.150 nan 0.000 0.446 1168 A N -1.191 121.648 122.820 0.032 0.000 2.337 1168 A HA 0.374 4.695 4.320 0.002 0.000 0.227 1168 A C 1.089 178.646 177.584 -0.045 0.000 1.259 1168 A CA 0.682 52.719 52.037 0.001 0.000 0.870 1168 A CB -0.654 18.331 19.000 -0.026 0.000 0.927 1168 A HN 0.343 nan 8.150 nan 0.000 0.497 1169 T N 0.331 114.861 114.554 -0.039 0.000 2.899 1169 T HA 0.244 4.595 4.350 0.002 0.000 0.295 1169 T C 1.134 175.764 174.700 -0.116 0.000 1.033 1169 T CA 0.376 62.412 62.100 -0.105 0.000 1.084 1169 T CB 0.336 69.139 68.868 -0.109 0.000 0.979 1169 T HN 0.589 nan 8.240 nan 0.000 0.532 1170 N N 2.342 120.855 118.700 -0.310 0.000 2.197 1170 N HA 0.181 4.922 4.740 0.002 0.000 0.201 1170 N C -0.345 174.565 175.510 -1.000 0.000 1.148 1170 N CA -0.041 52.691 53.050 -0.529 0.000 0.883 1170 N CB -0.070 38.254 38.487 -0.272 0.000 1.012 1170 N HN 0.429 nan 8.380 nan 0.000 0.507 1171 I N 1.535 121.667 120.570 -0.730 0.000 2.291 1171 I HA 0.304 4.475 4.170 0.002 0.000 0.290 1171 I C -1.030 174.829 176.117 -0.430 0.000 1.050 1171 I CA -0.585 60.389 61.300 -0.543 0.000 1.245 1171 I CB 0.089 37.938 38.000 -0.251 0.000 1.405 1171 I HN -0.116 nan 8.210 nan 0.000 0.478 1172 F N 3.531 123.487 119.950 0.009 0.000 2.538 1172 F HA 0.518 5.046 4.527 0.001 0.000 0.325 1172 F C 0.378 176.213 175.800 0.058 0.000 1.066 1172 F CA -1.257 56.761 58.000 0.030 0.000 0.946 1172 F CB 0.925 39.938 39.000 0.021 0.000 1.199 1172 F HN 0.298 nan 8.300 nan 0.000 0.473 1173 E N 0.951 121.331 120.200 0.299 0.000 2.167 1173 E HA 0.269 4.620 4.350 0.002 0.000 0.284 1173 E C -0.288 176.471 176.600 0.265 0.000 1.016 1173 E CA -0.392 56.150 56.400 0.237 0.000 0.817 1173 E CB 1.660 31.499 29.700 0.232 0.000 1.080 1173 E HN 0.543 nan 8.360 nan 0.000 0.397 1174 S N 2.485 118.326 115.700 0.234 0.000 2.617 1174 S HA 0.378 4.849 4.470 0.002 0.000 0.255 1174 S C -0.740 174.063 174.600 0.338 0.000 1.318 1174 S CA -0.270 58.074 58.200 0.239 0.000 0.978 1174 S CB 0.315 63.614 63.200 0.166 0.000 0.961 1174 S HN 0.444 nan 8.310 nan 0.000 0.582 1175 F N 0.057 120.089 119.950 0.136 0.000 2.628 1175 F HA 0.636 5.164 4.527 0.002 0.000 0.309 1175 F C -1.141 174.723 175.800 0.107 0.000 1.108 1175 F CA -0.566 57.531 58.000 0.161 0.000 0.971 1175 F CB 0.989 40.123 39.000 0.222 0.000 1.279 1175 F HN 0.603 nan 8.300 nan 0.000 0.441 1176 A N 6.691 128.980 122.820 -0.885 0.000 2.359 1176 A HA 0.697 5.018 4.320 0.002 0.000 0.303 1176 A C -2.378 174.463 177.584 -1.238 0.000 1.066 1176 A CA -1.725 49.862 52.037 -0.749 0.000 0.730 1176 A CB 1.151 19.943 19.000 -0.347 0.000 1.211 1176 A HN 0.603 nan 8.150 nan 0.000 0.439 1177 P HA -0.228 nan 4.420 nan 0.000 0.209 1177 P C 0.916 178.034 177.300 -0.303 0.000 1.080 1177 P CA 3.163 65.947 63.100 -0.526 0.000 0.971 1177 P CB 0.366 31.942 31.700 -0.208 0.000 0.768 1178 A N -2.795 119.888 122.820 -0.228 0.000 4.106 1178 A HA 0.732 5.053 4.320 0.002 0.000 0.175 1178 A C -0.513 176.984 177.584 -0.144 0.000 0.668 1178 A CA 0.156 52.099 52.037 -0.157 0.000 0.819 1178 A CB 0.682 19.620 19.000 -0.104 0.000 1.738 1178 A HN 0.294 nan 8.150 nan 0.000 0.848 1179 G N -1.265 107.475 108.800 -0.101 0.000 2.617 1179 G HA2 0.590 4.551 3.960 0.002 0.000 0.305 1179 G HA3 0.590 4.551 3.960 0.002 0.000 0.305 1179 G C -0.169 174.705 174.900 -0.044 0.000 1.436 1179 G CA 0.270 45.323 45.100 -0.079 0.000 1.036 1179 G HN 1.391 nan 8.290 nan 0.000 0.589 1180 G N 0.775 109.558 108.800 -0.027 0.000 2.441 1180 G HA2 0.452 4.413 3.960 0.002 0.000 0.243 1180 G HA3 0.452 4.413 3.960 0.002 0.000 0.243 1180 G C 0.603 175.511 174.900 0.013 0.000 1.281 1180 G CA -0.558 44.542 45.100 0.001 0.000 0.854 1180 G HN 0.921 nan 8.290 nan 0.000 0.560 1181 K N 1.435 121.863 120.400 0.048 0.000 2.034 1181 K HA 0.415 4.736 4.320 0.002 0.000 0.225 1181 K C 0.419 177.039 176.600 0.033 0.000 1.190 1181 K CA -0.114 56.209 56.287 0.060 0.000 1.152 1181 K CB 0.130 32.704 32.500 0.123 0.000 1.300 1181 K HN 0.364 nan 8.250 nan 0.000 0.268 1182 A N 2.623 125.452 122.820 0.016 0.000 2.363 1182 A HA 0.145 4.466 4.320 0.002 0.000 0.270 1182 A C -0.485 177.104 177.584 0.009 0.000 1.121 1182 A CA -0.765 51.277 52.037 0.008 0.000 0.800 1182 A CB 0.409 19.409 19.000 -0.000 0.000 1.052 1182 A HN 0.619 nan 8.150 nan 0.000 0.493 1183 D N 0.586 120.989 120.400 0.007 0.000 2.350 1183 D HA 0.513 5.154 4.640 0.002 0.000 0.249 1183 D C 0.599 176.901 176.300 0.003 0.000 1.119 1183 D CA 1.928 55.931 54.000 0.005 0.000 0.886 1183 D CB 1.089 41.890 40.800 0.003 0.000 1.195 1183 D HN 1.166 nan 8.370 nan 0.000 0.437 1184 G N 0.789 109.591 108.800 0.003 0.000 2.640 1184 G HA2 0.373 4.334 3.960 0.002 0.000 0.686 1184 G HA3 0.373 4.334 3.960 0.002 0.000 0.686 1184 G C -0.806 174.097 174.900 0.004 0.000 1.229 1184 G CA -0.343 44.758 45.100 0.002 0.000 0.796 1184 G HN 0.910 nan 8.290 nan 0.000 0.654 1185 S N -1.443 114.260 115.700 0.004 0.000 2.552 1185 S HA 0.869 5.340 4.470 0.002 0.000 0.272 1185 S C -1.267 173.336 174.600 0.006 0.000 1.150 1185 S CA -0.163 58.042 58.200 0.009 0.000 0.849 1185 S CB 2.119 65.326 63.200 0.012 0.000 1.113 1185 S HN 2.326 nan 8.310 nan 0.000 0.458 1186 V N 1.113 121.035 119.914 0.013 0.000 2.841 1186 V HA 0.604 4.725 4.120 0.002 0.000 0.310 1186 V C -1.355 174.749 176.094 0.015 0.000 1.090 1186 V CA -0.570 61.734 62.300 0.007 0.000 0.930 1186 V CB 1.955 33.783 31.823 0.010 0.000 1.014 1186 V HN 1.151 nan 8.190 nan 0.000 0.425 1187 D N 3.322 123.706 120.400 -0.026 0.000 2.350 1187 D HA 0.184 4.825 4.640 0.002 0.000 0.249 1187 D C 1.062 177.324 176.300 -0.063 0.000 1.119 1187 D CA 0.119 54.067 54.000 -0.086 0.000 0.886 1187 D CB 0.866 41.551 40.800 -0.193 0.000 1.195 1187 D HN 0.484 nan 8.370 nan 0.000 0.437 1188 F N 1.257 121.209 119.950 0.003 0.000 2.307 1188 F HA 0.130 4.658 4.527 0.002 0.000 0.301 1188 F C 1.723 177.529 175.800 0.010 0.000 1.076 1188 F CA 0.644 58.648 58.000 0.006 0.000 1.383 1188 F CB -0.506 38.497 39.000 0.005 0.000 1.055 1188 F HN 0.302 nan 8.300 nan 0.000 0.526 1189 G N -0.018 108.573 108.800 -0.348 0.000 3.088 1189 G HA2 0.004 3.965 3.960 0.002 0.000 0.217 1189 G HA3 0.004 3.965 3.960 0.002 0.000 0.217 1189 G C 0.229 175.072 174.900 -0.094 0.000 1.159 1189 G CA -0.315 44.680 45.100 -0.175 0.000 0.760 1189 G HN 0.197 nan 8.290 nan 0.000 0.550 1190 E N 1.159 121.308 120.200 -0.085 0.000 2.383 1190 E HA 0.255 4.606 4.350 0.002 0.000 0.257 1190 E C 1.301 177.892 176.600 -0.015 0.000 1.079 1190 E CA 0.778 57.148 56.400 -0.050 0.000 0.934 1190 E CB 0.400 30.075 29.700 -0.043 0.000 0.978 1190 E HN 0.368 nan 8.360 nan 0.000 0.462 1191 G N 3.079 111.868 108.800 -0.018 0.000 2.148 1191 G HA2 -0.324 3.637 3.960 0.002 0.000 0.254 1191 G HA3 -0.324 3.637 3.960 0.002 0.000 0.254 1191 G C 0.503 175.409 174.900 0.009 0.000 0.981 1191 G CA 0.211 45.307 45.100 -0.007 0.000 0.670 1191 G HN 0.757 nan 8.290 nan 0.000 0.528 1192 A N -0.446 122.388 122.820 0.023 0.000 2.445 1192 A HA 0.646 4.967 4.320 0.002 0.000 0.242 1192 A C 1.168 178.776 177.584 0.041 0.000 1.075 1192 A CA 1.151 53.225 52.037 0.061 0.000 0.777 1192 A CB 0.320 19.376 19.000 0.094 0.000 1.013 1192 A HN 0.382 nan 8.150 nan 0.000 0.493 1193 E N 0.389 120.637 120.200 0.081 0.000 2.158 1193 E HA 0.103 4.454 4.350 0.002 0.000 0.191 1193 E C -0.462 175.999 176.600 -0.231 0.000 0.982 1193 E CA 1.069 57.440 56.400 -0.049 0.000 0.823 1193 E CB -0.057 29.664 29.700 0.035 0.000 0.766 1193 E HN 0.642 nan 8.360 nan 0.000 0.468 1194 F N -1.074 118.884 119.950 0.014 0.000 2.613 1194 F HA 0.341 4.869 4.527 0.002 0.000 0.342 1194 F C 0.085 175.897 175.800 0.019 0.000 1.066 1194 F CA -1.637 56.371 58.000 0.014 0.000 1.002 1194 F CB 0.690 39.699 39.000 0.015 0.000 1.319 1194 F HN -0.272 nan 8.300 nan 0.000 0.495 1195 c N 1.137 119.868 118.600 0.219 0.000 2.634 1195 c HA 0.176 4.747 4.570 0.002 0.000 0.418 1195 c C 1.579 175.756 174.090 0.145 0.000 1.373 1195 c CA 0.130 56.537 56.329 0.130 0.000 1.756 1195 c CB -0.246 42.325 42.510 0.100 0.000 2.589 1195 c HN 0.862 nan 8.230 nan 0.000 0.602 1196 T N 2.000 116.631 114.554 0.128 0.000 3.001 1196 T HA 0.128 4.479 4.350 0.002 0.000 0.251 1196 T C 0.739 175.565 174.700 0.211 0.000 1.040 1196 T CA 0.591 62.801 62.100 0.184 0.000 0.985 1196 T CB 0.052 69.023 68.868 0.173 0.000 1.011 1196 T HN 0.648 nan 8.240 nan 0.000 0.509 1197 R N 1.678 122.255 120.500 0.128 0.000 2.795 1197 R HA 0.450 4.791 4.340 0.002 0.000 0.275 1197 R C -1.110 175.234 176.300 0.072 0.000 0.981 1197 R CA -0.857 55.310 56.100 0.112 0.000 0.917 1197 R CB 1.540 31.885 30.300 0.076 0.000 1.202 1197 R HN 0.216 nan 8.270 nan 0.000 0.469 1198 D N -0.532 119.904 120.400 0.061 0.000 2.507 1198 D HA 0.071 4.712 4.640 0.002 0.000 0.280 1198 D C -0.094 176.224 176.300 0.030 0.000 1.219 1198 D CA -0.379 53.646 54.000 0.042 0.000 1.085 1198 D CB 0.487 41.308 40.800 0.035 0.000 1.134 1198 D HN 0.298 nan 8.370 nan 0.000 0.583 1199 D N -1.394 119.020 120.400 0.024 0.000 2.325 1199 D HA 0.084 4.725 4.640 0.002 0.000 0.225 1199 D C 0.024 176.331 176.300 0.013 0.000 1.096 1199 D CA 0.141 54.151 54.000 0.017 0.000 0.844 1199 D CB 0.015 40.824 40.800 0.016 0.000 0.925 1199 D HN 0.230 nan 8.370 nan 0.000 0.513 1200 T N 0.522 115.085 114.554 0.014 0.000 2.918 1200 T HA 0.217 4.568 4.350 0.002 0.000 0.283 1200 T C -1.594 173.110 174.700 0.006 0.000 1.001 1200 T CA -1.832 60.274 62.100 0.010 0.000 1.041 1200 T CB 1.911 70.785 68.868 0.010 0.000 1.028 1200 T HN -0.208 nan 8.240 nan 0.000 0.511 1201 P HA 0.046 nan 4.420 nan 0.000 0.220 1201 P C 1.423 178.720 177.300 -0.005 0.000 1.148 1201 P CA 0.967 64.064 63.100 -0.005 0.000 0.803 1201 P CB 0.102 31.794 31.700 -0.013 0.000 0.782 1202 M N -2.149 117.449 119.600 -0.003 0.000 2.159 1202 M HA -0.092 4.389 4.480 0.002 0.000 0.263 1202 M C 1.859 178.166 176.300 0.012 0.000 1.063 1202 M CA 1.730 57.030 55.300 0.000 0.000 1.110 1202 M CB -0.446 32.154 32.600 0.000 0.000 1.374 1202 M HN -0.068 nan 8.290 nan 0.000 0.411 1203 M N -0.656 118.957 119.600 0.020 0.000 2.502 1203 M HA 0.195 4.676 4.480 0.002 0.000 0.243 1203 M C 0.527 176.842 176.300 0.025 0.000 1.130 1203 M CA -0.289 55.033 55.300 0.036 0.000 1.055 1203 M CB -0.014 32.617 32.600 0.053 0.000 1.457 1203 M HN 0.085 nan 8.290 nan 0.000 0.488 1204 A N 2.383 125.210 122.820 0.011 0.000 2.522 1204 A HA 0.264 4.585 4.320 0.002 0.000 0.256 1204 A C 0.190 177.772 177.584 -0.003 0.000 1.086 1204 A CA 0.324 52.362 52.037 0.001 0.000 0.763 1204 A CB 0.110 19.108 19.000 -0.003 0.000 1.024 1204 A HN 0.308 nan 8.150 nan 0.000 0.502 1205 R N 2.213 122.707 120.500 -0.009 0.000 2.912 1205 R HA 0.402 4.743 4.340 0.002 0.000 0.262 1205 R C -2.071 174.217 176.300 -0.019 0.000 1.057 1205 R CA -1.982 54.109 56.100 -0.014 0.000 0.981 1205 R CB 0.059 30.347 30.300 -0.021 0.000 1.201 1205 R HN 0.343 nan 8.270 nan 0.000 0.484 1206 P HA -0.131 nan 4.420 nan 0.000 0.216 1206 P C 0.079 177.364 177.300 -0.025 0.000 1.154 1206 P CA 1.407 64.495 63.100 -0.020 0.000 0.865 1206 P CB 0.272 31.961 31.700 -0.020 0.000 0.789 1207 D N -1.483 118.898 120.400 -0.033 0.000 2.358 1207 D HA 0.117 4.758 4.640 0.002 0.000 0.224 1207 D C 0.332 176.607 176.300 -0.041 0.000 1.123 1207 D CA 0.292 54.270 54.000 -0.037 0.000 0.833 1207 D CB -0.083 40.691 40.800 -0.044 0.000 0.946 1207 D HN 0.078 nan 8.370 nan 0.000 0.505 1208 S N -1.102 114.577 115.700 -0.035 0.000 2.614 1208 S HA 0.473 4.944 4.470 0.002 0.000 0.265 1208 S C 1.450 176.035 174.600 -0.024 0.000 1.303 1208 S CA 0.399 58.579 58.200 -0.032 0.000 1.000 1208 S CB 1.542 64.730 63.200 -0.021 0.000 0.935 1208 S HN 0.417 nan 8.310 nan 0.000 0.551 1209 G N 0.727 109.515 108.800 -0.020 0.000 2.255 1209 G HA2 -0.154 3.807 3.960 0.002 0.000 0.196 1209 G HA3 -0.154 3.807 3.960 0.002 0.000 0.196 1209 G C -0.157 174.734 174.900 -0.016 0.000 0.998 1209 G CA 0.029 45.120 45.100 -0.015 0.000 0.656 1209 G HN 0.771 nan 8.290 nan 0.000 0.490 1210 E N 0.933 121.120 120.200 -0.022 0.000 2.373 1210 E HA 0.658 5.009 4.350 0.002 0.000 0.263 1210 E C 0.571 177.159 176.600 -0.020 0.000 1.073 1210 E CA -0.243 56.143 56.400 -0.023 0.000 0.894 1210 E CB 1.283 30.966 29.700 -0.029 0.000 1.008 1210 E HN 0.900 nan 8.360 nan 0.000 0.420 1211 A N 1.591 124.398 122.820 -0.022 0.000 2.462 1211 A HA 0.394 4.715 4.320 0.002 0.000 0.243 1211 A C 0.198 177.764 177.584 -0.029 0.000 1.076 1211 A CA -0.158 51.866 52.037 -0.022 0.000 0.773 1211 A CB -0.472 18.514 19.000 -0.023 0.000 1.010 1211 A HN 0.849 nan 8.150 nan 0.000 0.493 1212 c N 0.298 118.883 118.600 -0.025 0.000 3.321 1212 c HA 0.686 5.257 4.570 0.002 0.000 0.329 1212 c C -0.768 173.303 174.090 -0.032 0.000 1.394 1212 c CA -0.964 55.343 56.329 -0.037 0.000 1.291 1212 c CB 1.243 43.745 42.510 -0.013 0.000 1.606 1212 c HN 0.814 nan 8.230 nan 0.000 0.463 1213 D N 0.862 121.219 120.400 -0.071 0.000 2.339 1213 D HA 0.149 4.790 4.640 0.002 0.000 0.241 1213 D C 0.159 176.551 176.300 0.153 0.000 1.183 1213 D CA 0.617 54.599 54.000 -0.031 0.000 0.859 1213 D CB 1.186 41.813 40.800 -0.289 0.000 1.067 1213 D HN 0.751 nan 8.370 nan 0.000 0.484 1214 Q N 3.149 123.028 119.800 0.133 0.000 2.225 1214 Q HA 0.052 4.393 4.340 0.002 0.000 0.222 1214 Q C -0.383 175.704 176.000 0.145 0.000 0.887 1214 Q CA -0.085 55.798 55.803 0.134 0.000 0.958 1214 Q CB -0.435 28.348 28.738 0.075 0.000 1.058 1214 Q HN 0.544 nan 8.270 nan 0.000 0.459 1215 N N -0.326 118.517 118.700 0.238 0.000 2.741 1215 N HA -0.206 4.535 4.740 0.002 0.000 0.250 1215 N C -0.217 175.340 175.510 0.079 0.000 1.115 1215 N CA 0.837 53.971 53.050 0.141 0.000 0.724 1215 N CB -0.476 38.014 38.487 0.004 0.000 1.090 1215 N HN 0.326 nan 8.380 nan 0.000 0.558 1216 R N -0.563 119.989 120.500 0.086 0.000 2.362 1216 R HA 0.403 4.744 4.340 0.002 0.000 0.227 1216 R C 1.222 177.553 176.300 0.051 0.000 0.905 1216 R CA 0.755 56.887 56.100 0.053 0.000 1.067 1216 R CB 0.582 30.907 30.300 0.042 0.000 1.078 1216 R HN 0.283 nan 8.270 nan 0.000 0.516 1217 A N 0.476 123.341 122.820 0.075 0.000 2.469 1217 A HA 0.502 4.823 4.320 0.002 0.000 0.245 1217 A C 0.664 178.290 177.584 0.070 0.000 1.221 1217 A CA 0.242 52.317 52.037 0.065 0.000 0.946 1217 A CB 0.509 19.548 19.000 0.065 0.000 1.049 1217 A HN 0.310 nan 8.150 nan 0.000 0.529 1218 G N -1.029 107.813 108.800 0.071 0.000 2.710 1218 G HA2 0.003 3.964 3.960 0.002 0.000 0.668 1218 G HA3 0.003 3.964 3.960 0.002 0.000 0.668 1218 G C -0.053 174.893 174.900 0.076 0.000 1.320 1218 G CA -0.479 44.649 45.100 0.047 0.000 0.860 1218 G HN 0.596 nan 8.290 nan 0.000 0.538 1219 T N 0.391 114.961 114.554 0.027 0.000 2.788 1219 T HA 0.316 4.667 4.350 0.002 0.000 0.333 1219 T C 2.079 176.863 174.700 0.140 0.000 1.090 1219 T CA 0.769 62.885 62.100 0.027 0.000 1.094 1219 T CB 0.680 69.543 68.868 -0.007 0.000 0.999 1219 T HN 0.921 nan 8.240 nan 0.000 0.549 1220 S N 0.664 116.488 115.700 0.207 0.000 2.359 1220 S HA -0.147 4.324 4.470 0.002 0.000 0.224 1220 S C 2.034 176.695 174.600 0.102 0.000 1.035 1220 S CA 1.491 59.816 58.200 0.210 0.000 1.018 1220 S CB -0.280 63.044 63.200 0.207 0.000 0.876 1220 S HN 0.784 nan 8.310 nan 0.000 0.448 1221 E N 0.729 120.971 120.200 0.070 0.000 2.051 1221 E HA -0.205 4.146 4.350 0.002 0.000 0.192 1221 E C 2.218 178.840 176.600 0.036 0.000 0.991 1221 E CA 1.063 57.489 56.400 0.043 0.000 0.799 1221 E CB -0.103 29.614 29.700 0.028 0.000 0.748 1221 E HN 0.527 nan 8.360 nan 0.000 0.449 1222 Q N 0.037 119.859 119.800 0.037 0.000 2.112 1222 Q HA -0.236 4.105 4.340 0.002 0.000 0.206 1222 Q C 2.290 178.310 176.000 0.034 0.000 0.987 1222 Q CA 1.924 57.745 55.803 0.030 0.000 0.858 1222 Q CB -0.031 28.723 28.738 0.027 0.000 0.905 1222 Q HN 0.378 nan 8.270 nan 0.000 0.420 1223 Q N -0.864 118.965 119.800 0.049 0.000 2.083 1223 Q HA -0.089 4.252 4.340 0.002 0.000 0.198 1223 Q C 2.180 178.198 176.000 0.030 0.000 0.969 1223 Q CA 1.146 56.975 55.803 0.043 0.000 0.838 1223 Q CB -0.179 28.595 28.738 0.059 0.000 0.900 1223 Q HN 0.492 nan 8.270 nan 0.000 0.436 1224 G N 0.784 109.603 108.800 0.031 0.000 2.422 1224 G HA2 -0.289 3.672 3.960 0.002 0.000 0.218 1224 G HA3 -0.289 3.672 3.960 0.002 0.000 0.218 1224 G C 0.932 175.842 174.900 0.016 0.000 1.140 1224 G CA 1.124 46.236 45.100 0.021 0.000 0.775 1224 G HN 0.310 nan 8.290 nan 0.000 0.545 1225 D N -0.225 120.186 120.400 0.018 0.000 2.123 1225 D HA -0.069 4.572 4.640 0.002 0.000 0.200 1225 D C 2.319 178.626 176.300 0.012 0.000 0.976 1225 D CA 0.499 54.507 54.000 0.013 0.000 0.831 1225 D CB -0.173 40.635 40.800 0.013 0.000 0.974 1225 D HN 0.144 nan 8.370 nan 0.000 0.469 1226 L N 0.188 121.420 121.223 0.014 0.000 2.017 1226 L HA -0.091 4.250 4.340 0.002 0.000 0.208 1226 L C 2.296 179.172 176.870 0.010 0.000 1.073 1226 L CA 2.106 56.954 54.840 0.012 0.000 0.745 1226 L CB -1.265 40.803 42.059 0.015 0.000 0.894 1226 L HN 0.076 nan 8.230 nan 0.000 0.432 1227 S N -0.751 114.955 115.700 0.010 0.000 2.353 1227 S HA -0.269 4.202 4.470 0.002 0.000 0.222 1227 S C 2.211 176.814 174.600 0.005 0.000 1.035 1227 S CA 1.643 59.847 58.200 0.007 0.000 1.025 1227 S CB -0.407 62.797 63.200 0.006 0.000 0.902 1227 S HN 0.503 nan 8.310 nan 0.000 0.440 1228 K N 0.275 120.679 120.400 0.006 0.000 2.147 1228 K HA 0.026 4.347 4.320 0.002 0.000 0.205 1228 K C 2.210 178.813 176.600 0.004 0.000 1.049 1228 K CA 0.870 57.160 56.287 0.005 0.000 0.936 1228 K CB -0.146 32.357 32.500 0.006 0.000 0.722 1228 K HN 0.369 nan 8.250 nan 0.000 0.446 1229 R N -0.083 120.420 120.500 0.005 0.000 2.313 1229 R HA -0.014 4.327 4.340 0.002 0.000 0.199 1229 R C 1.305 177.607 176.300 0.004 0.000 0.958 1229 R CA 1.081 57.183 56.100 0.004 0.000 1.047 1229 R CB 0.313 30.616 30.300 0.005 0.000 0.955 1229 R HN 0.230 nan 8.270 nan 0.000 0.481 1230 T N -2.313 112.243 114.554 0.004 0.000 3.043 1230 T HA 0.042 4.393 4.350 0.002 0.000 0.272 1230 T C 1.478 176.179 174.700 0.002 0.000 0.990 1230 T CA -0.485 61.617 62.100 0.003 0.000 0.897 1230 T CB 0.331 69.201 68.868 0.004 0.000 1.111 1230 T HN 0.055 nan 8.240 nan 0.000 0.529 1231 K N 1.791 122.192 120.400 0.002 0.000 2.450 1231 K HA -0.359 3.962 4.320 0.002 0.000 0.211 1231 K C 0.711 177.312 176.600 0.000 0.000 0.957 1231 K CA 1.781 58.069 56.287 0.001 0.000 0.914 1231 K CB -1.214 31.286 32.500 0.001 0.000 1.105 1231 K HN 0.396 nan 8.250 nan 0.000 0.505 1232 K N 0.000 120.400 120.400 0.001 0.000 2.780 1232 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1232 K CA 0.000 56.287 56.287 0.000 0.000 0.838 1232 K CB 0.000 32.500 32.500 0.000 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543