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 3e0c_1_A DATA FIRST_RESID 2 DATA SEQUENCE SYNYVVTAQK PTAVNGCVTG HFTXXEDLNL LIAKNTRLEI YVVTXXXLRP DATA SEQUENCE VKEVGMYGKI AVMELFRPKG XXKDLLFILT AKYNACILEY KXXXXSIDII DATA SEQUENCE TRAHGNVQDR XXXXXXXGII GIIDPECRMI GLRLYDGLFK VIPLXXDNKE DATA SEQUENCE LKAFNIRLEE LHVIDVKFLY GCQAPTICFV YQDPXXRHVK TYEVSLREKE DATA SEQUENCE FNKGXWKQXN VEAEASMVIA VPEPFGGAII IGQESITYHN GXXYLAIAPP DATA SEQUENCE IIKQSTIVCH NRVDPNGSRY LLGDMEGRLF MLLLEKXXXX DGTVTLKDLR DATA SEQUENCE VELLGETSIA ECLTYLDXGV VFVGSRLGDS QLVKLNVXXX XXXXYVVAME DATA SEQUENCE TFTNLGPIVD MCVVDXXXXX QGQLVTCSGA FKEGSLRIIR NGIGIHEHAS DATA SEQUENCE IDLPGIKGLW PLRSDPXXET DDTLVLSFVG QTRVLMLXXX XXXETELMGF DATA SEQUENCE VDDQQTFFCG NVAHQQLIQI TSASVRLVSQ EPKALVSEWK EPQAKNISVA DATA SEQUENCE SCNSSQVVVA VGRALYYLQI HPQELRQISH TEMEHEVACL DITPLXXXXG DATA SEQUENCE LSPLCAIGLW TDISARILKL PSFELLHKEM LGGEIIPRSI LMTTFESSHY DATA SEQUENCE LLCALGDGAL FYFGLNIETG LLSDXKKVTL GTQPTVLRTF RSXSTTNVFA DATA SEQUENCE CSDRPTVIYS XNHKLVFSNV NLKEVNYMCP LNSDGYPXSL ALANNSTLTI DATA SEQUENCE GTIDEIQKLH IRTVPLYESP RKICYQEVSQ CFGVLSSRIE VXXXXXXXXA DATA SEQUENCE LRPSASTQAL SSSVSXXXXX XXXXXXXXXX XXXXVEVHNL LIIDQHTFEV DATA SEQUENCE LHAHQFLQNE YALSLVSCKL GKDPNTYFIV GTAMVYPXXX EPKQGRIVVF DATA SEQUENCE QYXXGKLQTV AEKEVKGAVY SMVEFNGKLL ASINSTVRLY EWTTEKELRT DATA SEQUENCE ECNHYNNIMA LYLKTKGDFI LVGDLMRSVL LLAYKPMEGN FEEIARDFNP DATA SEQUENCE NWMSAVEILD DDNFLGAENA FNLFVCQXXX XXXXXXXXQH LQEVGLFHLG DATA SEQUENCE EFVNVFCHGS LVXXXXXXXX XXTQGSVLFG TVNGMIGLVT SLSESWYNLL DATA SEQUENCE LDMQNRLNKV IKSVGKIEHS FWRSFHTEXX TEPATGFIDG DLIESFLDIS DATA SEQUENCE RPKMQEVVAX XXXXXXXXXX XXXTADDLIK VVEELTRIH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.055 174.600 -0.909 0.000 1.055 2 S CA 0.000 57.830 58.200 -0.616 0.000 1.107 2 S CB 0.000 62.939 63.200 -0.435 0.000 0.593 3 Y N 3.874 123.937 120.300 -0.394 0.000 2.646 3 Y HA 0.536 5.082 4.550 -0.007 0.000 0.334 3 Y C 0.375 176.128 175.900 -0.245 0.000 1.004 3 Y CA -0.966 56.903 58.100 -0.386 0.000 1.301 3 Y CB 1.046 39.353 38.460 -0.255 0.000 1.093 3 Y HN 0.551 nan 8.280 nan 0.000 0.530 4 N N 1.683 120.236 118.700 -0.245 0.000 2.328 4 N HA 0.379 5.115 4.740 -0.007 0.000 0.299 4 N C -1.786 173.686 175.510 -0.064 0.000 1.179 4 N CA -0.811 52.044 53.050 -0.325 0.000 0.793 4 N CB 2.954 40.926 38.487 -0.859 0.000 1.366 4 N HN 0.571 nan 8.380 nan 0.000 0.493 5 Y N 0.348 120.598 120.300 -0.083 0.000 2.421 5 Y HA 0.494 5.040 4.550 -0.007 0.000 0.339 5 Y C -1.509 174.418 175.900 0.044 0.000 0.996 5 Y CA -0.592 57.522 58.100 0.022 0.000 1.046 5 Y CB 1.200 39.690 38.460 0.051 0.000 1.226 5 Y HN 0.169 nan 8.280 nan 0.000 0.445 6 V N 7.075 126.831 119.914 -0.263 0.000 2.588 6 V HA 0.727 4.842 4.120 -0.007 0.000 0.304 6 V C -1.152 174.819 176.094 -0.205 0.000 1.042 6 V CA -0.832 61.404 62.300 -0.106 0.000 0.877 6 V CB 1.447 33.189 31.823 -0.136 0.000 0.996 6 V HN 0.644 nan 8.190 nan 0.000 0.425 7 V N 3.272 123.152 119.914 -0.056 0.000 2.971 7 V HA 0.567 4.682 4.120 -0.007 0.000 0.309 7 V C -0.073 175.933 176.094 -0.146 0.000 1.130 7 V CA -0.170 62.068 62.300 -0.102 0.000 0.964 7 V CB 3.038 34.827 31.823 -0.056 0.000 1.029 7 V HN 0.944 nan 8.190 nan 0.000 0.427 8 T N 4.999 119.473 114.554 -0.134 0.000 2.814 8 T HA 0.473 4.818 4.350 -0.007 0.000 0.297 8 T C 0.864 175.370 174.700 -0.323 0.000 0.956 8 T CA 0.520 62.526 62.100 -0.156 0.000 1.123 8 T CB 1.429 70.282 68.868 -0.025 0.000 0.902 8 T HN 1.018 nan 8.240 nan 0.000 0.528 9 A N 3.301 125.951 122.820 -0.283 0.000 1.942 9 A HA 0.257 4.573 4.320 -0.007 0.000 0.209 9 A C 0.992 178.551 177.584 -0.042 0.000 1.214 9 A CA 0.370 52.297 52.037 -0.182 0.000 0.686 9 A CB 0.148 19.063 19.000 -0.141 0.000 0.871 9 A HN 0.595 nan 8.150 nan 0.000 0.460 10 Q N 0.880 120.640 119.800 -0.067 0.000 2.290 10 Q HA 0.385 4.720 4.340 -0.007 0.000 0.269 10 Q C -1.137 174.854 176.000 -0.014 0.000 1.016 10 Q CA -0.431 55.358 55.803 -0.022 0.000 0.754 10 Q CB 0.988 29.709 28.738 -0.029 0.000 1.247 10 Q HN 0.325 nan 8.270 nan 0.000 0.451 11 K N 4.630 125.038 120.400 0.014 0.000 2.494 11 K HA 0.102 4.417 4.320 -0.007 0.000 0.273 11 K C -2.119 174.497 176.600 0.025 0.000 0.970 11 K CA -1.111 55.193 56.287 0.028 0.000 0.963 11 K CB -0.122 32.398 32.500 0.034 0.000 0.913 11 K HN 0.566 nan 8.250 nan 0.000 0.502 12 P HA -0.065 nan 4.420 nan 0.000 0.265 12 P C 0.232 177.549 177.300 0.028 0.000 1.193 12 P CA 0.340 63.458 63.100 0.030 0.000 0.765 12 P CB 0.539 32.258 31.700 0.031 0.000 0.823 13 T N -1.377 113.193 114.554 0.027 0.000 2.985 13 T HA 0.336 4.682 4.350 -0.007 0.000 0.254 13 T C 0.862 175.587 174.700 0.041 0.000 1.021 13 T CA -0.108 62.014 62.100 0.037 0.000 0.957 13 T CB 0.039 68.927 68.868 0.033 0.000 1.047 13 T HN 0.456 nan 8.240 nan 0.000 0.511 14 A N 1.677 124.514 122.820 0.028 0.000 2.425 14 A HA 0.613 4.929 4.320 -0.007 0.000 0.249 14 A C 0.124 177.729 177.584 0.036 0.000 1.084 14 A CA -0.425 51.629 52.037 0.027 0.000 0.781 14 A CB 0.304 19.311 19.000 0.011 0.000 1.019 14 A HN 0.320 nan 8.150 nan 0.000 0.490 15 V N 2.953 122.896 119.914 0.049 0.000 2.432 15 V HA 0.132 4.247 4.120 -0.007 0.000 0.275 15 V C 1.033 177.150 176.094 0.040 0.000 1.043 15 V CA 0.496 62.836 62.300 0.067 0.000 0.925 15 V CB 0.891 32.789 31.823 0.125 0.000 0.985 15 V HN 1.137 nan 8.190 nan 0.000 0.466 16 N N 3.187 121.902 118.700 0.025 0.000 2.294 16 N HA 0.294 5.030 4.740 -0.007 0.000 0.186 16 N C 0.336 175.856 175.510 0.016 0.000 1.107 16 N CA 0.538 53.594 53.050 0.011 0.000 0.884 16 N CB 0.913 39.393 38.487 -0.013 0.000 1.030 16 N HN 0.696 nan 8.380 nan 0.000 0.482 17 G N -0.449 108.367 108.800 0.026 0.000 2.746 17 G HA2 0.516 4.471 3.960 -0.007 0.000 0.297 17 G HA3 0.516 4.471 3.960 -0.007 0.000 0.297 17 G C -1.444 173.486 174.900 0.050 0.000 1.426 17 G CA -0.651 44.466 45.100 0.028 0.000 0.989 17 G HN 0.520 nan 8.290 nan 0.000 0.520 18 C N -0.088 119.253 119.300 0.067 0.000 2.686 18 C HA 0.903 5.358 4.460 -0.007 0.000 0.318 18 C C -0.583 174.433 174.990 0.043 0.000 1.160 18 C CA -1.104 57.955 59.018 0.067 0.000 1.396 18 C CB 0.894 28.746 27.740 0.188 0.000 1.924 18 C HN 0.896 nan 8.230 nan 0.000 0.471 19 V N 2.413 122.328 119.914 0.002 0.000 3.007 19 V HA 0.891 5.007 4.120 -0.007 0.000 0.311 19 V C 0.005 176.083 176.094 -0.028 0.000 1.120 19 V CA 0.260 62.561 62.300 0.003 0.000 0.980 19 V CB 2.857 34.682 31.823 0.003 0.000 1.033 19 V HN 1.283 nan 8.190 nan 0.000 0.429 20 T N 1.800 116.345 114.554 -0.015 0.000 2.888 20 T HA 0.979 5.325 4.350 -0.007 0.000 0.284 20 T C -0.036 174.613 174.700 -0.084 0.000 1.017 20 T CA 0.084 62.150 62.100 -0.057 0.000 1.022 20 T CB 1.678 70.518 68.868 -0.047 0.000 1.013 20 T HN 1.671 nan 8.240 nan 0.000 0.465 21 G N 0.630 109.321 108.800 -0.182 0.000 2.335 21 G HA2 0.427 4.383 3.960 -0.007 0.000 0.291 21 G HA3 0.427 4.383 3.960 -0.007 0.000 0.291 21 G C -1.920 172.724 174.900 -0.427 0.000 1.261 21 G CA -0.926 44.019 45.100 -0.259 0.000 0.871 21 G HN 0.876 nan 8.290 nan 0.000 0.491 22 H N 0.033 119.145 119.070 0.070 0.000 2.423 22 H HA 0.429 4.981 4.556 -0.007 0.000 0.237 22 H C -0.005 175.370 175.328 0.078 0.000 1.391 22 H CA -0.457 55.620 56.048 0.048 0.000 1.453 22 H CB 1.040 30.818 29.762 0.025 0.000 1.484 22 H HN 0.329 nan 8.280 nan 0.000 0.505 23 F N 1.124 121.041 119.950 -0.055 0.000 2.553 23 F HA 0.106 4.629 4.527 -0.007 0.000 0.282 23 F C 1.128 176.823 175.800 -0.175 0.000 1.089 23 F CA 0.335 58.279 58.000 -0.094 0.000 1.411 23 F CB 0.416 39.351 39.000 -0.110 0.000 1.125 23 F HN 0.335 nan 8.300 nan 0.000 0.610 28 D N 0.448 120.907 120.400 0.098 0.000 2.389 28 D HA 0.419 5.054 4.640 -0.007 0.000 0.247 28 D C -0.191 176.225 176.300 0.192 0.000 1.128 28 D CA -0.149 53.908 54.000 0.095 0.000 0.884 28 D CB 1.669 42.476 40.800 0.011 0.000 1.194 28 D HN 0.357 nan 8.370 nan 0.000 0.441 29 L N 3.640 124.916 121.223 0.088 0.000 2.260 29 L HA 0.233 4.568 4.340 -0.007 0.000 0.289 29 L C -0.463 176.371 176.870 -0.060 0.000 1.057 29 L CA -0.301 54.521 54.840 -0.031 0.000 0.811 29 L CB 0.232 42.277 42.059 -0.023 0.000 1.184 29 L HN 0.150 nan 8.230 nan 0.000 0.429 30 N N 4.643 123.282 118.700 -0.102 0.000 2.443 30 N HA 0.393 5.128 4.740 -0.007 0.000 0.295 30 N C -1.170 174.297 175.510 -0.072 0.000 1.076 30 N CA -0.523 52.491 53.050 -0.060 0.000 0.919 30 N CB 2.260 40.730 38.487 -0.028 0.000 1.176 30 N HN 0.467 nan 8.380 nan 0.000 0.487 31 L N 2.485 123.683 121.223 -0.042 0.000 2.282 31 L HA 0.505 4.841 4.340 -0.007 0.000 0.288 31 L C -1.398 175.455 176.870 -0.028 0.000 1.033 31 L CA -0.479 54.313 54.840 -0.080 0.000 0.807 31 L CB 0.724 42.660 42.059 -0.203 0.000 1.209 31 L HN 0.309 nan 8.230 nan 0.000 0.423 32 L N 6.412 127.589 121.223 -0.077 0.000 2.329 32 L HA 0.609 4.944 4.340 -0.007 0.000 0.279 32 L C -0.552 176.266 176.870 -0.087 0.000 1.014 32 L CA -0.006 54.781 54.840 -0.090 0.000 0.814 32 L CB 1.760 43.725 42.059 -0.157 0.000 1.257 32 L HN 0.506 nan 8.230 nan 0.000 0.424 33 I N 2.234 122.761 120.570 -0.070 0.000 2.533 33 I HA 0.628 4.794 4.170 -0.007 0.000 0.290 33 I C -0.434 175.659 176.117 -0.040 0.000 1.056 33 I CA -0.799 60.472 61.300 -0.048 0.000 1.057 33 I CB 2.109 40.079 38.000 -0.051 0.000 1.240 33 I HN 0.643 nan 8.210 nan 0.000 0.423 34 A N 6.139 128.943 122.820 -0.026 0.000 2.260 34 A HA 0.588 4.903 4.320 -0.007 0.000 0.314 34 A C -0.226 177.349 177.584 -0.015 0.000 1.257 34 A CA -0.536 51.478 52.037 -0.039 0.000 0.871 34 A CB 0.310 19.279 19.000 -0.053 0.000 1.166 34 A HN 0.717 nan 8.150 nan 0.000 0.522 35 K N 3.323 123.710 120.400 -0.021 0.000 2.682 35 K HA 0.185 4.501 4.320 -0.007 0.000 0.189 35 K C 0.099 176.686 176.600 -0.020 0.000 1.062 35 K CA -0.514 55.769 56.287 -0.006 0.000 0.997 35 K CB 0.301 32.807 32.500 0.011 0.000 1.405 35 K HN 0.897 nan 8.250 nan 0.000 0.588 36 N N 0.911 119.588 118.700 -0.038 0.000 2.869 36 N HA -0.328 4.408 4.740 -0.007 0.000 0.185 36 N C 1.114 176.579 175.510 -0.075 0.000 0.446 36 N CA 3.355 56.371 53.050 -0.056 0.000 1.773 36 N CB -1.222 37.245 38.487 -0.033 0.000 1.411 36 N HN 0.467 nan 8.380 nan 0.000 0.389 37 T N -1.282 113.244 114.554 -0.047 0.000 3.081 37 T HA 0.226 4.572 4.350 -0.007 0.000 0.255 37 T C 0.589 175.237 174.700 -0.087 0.000 1.113 37 T CA 0.364 62.411 62.100 -0.088 0.000 1.082 37 T CB -0.099 68.768 68.868 -0.001 0.000 0.939 37 T HN 0.374 nan 8.240 nan 0.000 0.506 38 R N 1.220 121.687 120.500 -0.056 0.000 2.407 38 R HA 0.648 4.983 4.340 -0.007 0.000 0.303 38 R C -1.046 175.210 176.300 -0.073 0.000 0.981 38 R CA -1.124 54.941 56.100 -0.057 0.000 0.905 38 R CB 1.469 31.752 30.300 -0.028 0.000 1.099 38 R HN 0.264 nan 8.270 nan 0.000 0.459 39 L N 1.329 122.501 121.223 -0.086 0.000 2.298 39 L HA 0.396 4.731 4.340 -0.007 0.000 0.284 39 L C -0.536 176.276 176.870 -0.096 0.000 1.013 39 L CA -0.025 54.759 54.840 -0.093 0.000 0.824 39 L CB 1.355 43.350 42.059 -0.106 0.000 1.221 39 L HN 0.530 nan 8.230 nan 0.000 0.418 40 E N 5.717 125.849 120.200 -0.113 0.000 2.166 40 E HA 0.530 4.875 4.350 -0.007 0.000 0.275 40 E C -1.101 175.337 176.600 -0.269 0.000 0.941 40 E CA -0.462 55.810 56.400 -0.213 0.000 0.784 40 E CB 2.198 31.784 29.700 -0.190 0.000 1.115 40 E HN 0.560 nan 8.360 nan 0.000 0.399 41 I N 3.172 123.524 120.570 -0.362 0.000 2.406 41 I HA 0.341 4.507 4.170 -0.007 0.000 0.290 41 I C -1.004 174.840 176.117 -0.456 0.000 0.999 41 I CA -0.688 60.469 61.300 -0.239 0.000 1.124 41 I CB 0.741 38.740 38.000 -0.001 0.000 1.289 41 I HN 0.452 nan 8.210 nan 0.000 0.441 42 Y N 4.265 124.506 120.300 -0.098 0.000 2.524 42 Y HA 0.623 5.169 4.550 -0.007 0.000 0.344 42 Y C -0.183 175.659 175.900 -0.097 0.000 1.012 42 Y CA -1.067 56.969 58.100 -0.108 0.000 1.068 42 Y CB 2.050 40.406 38.460 -0.175 0.000 1.249 42 Y HN 0.125 nan 8.280 nan 0.000 0.468 43 V N 3.020 122.990 119.914 0.092 0.000 2.435 43 V HA 0.319 4.435 4.120 -0.007 0.000 0.290 43 V C -0.514 175.601 176.094 0.035 0.000 1.030 43 V CA -0.985 61.334 62.300 0.032 0.000 0.881 43 V CB 1.538 33.367 31.823 0.010 0.000 0.983 43 V HN 0.513 nan 8.190 nan 0.000 0.445 44 V N 5.265 125.179 119.914 -0.001 0.000 2.455 44 V HA 0.320 4.435 4.120 -0.007 0.000 0.273 44 V C 0.789 176.879 176.094 -0.008 0.000 1.045 44 V CA -0.069 62.218 62.300 -0.022 0.000 0.976 44 V CB 1.061 32.853 31.823 -0.051 0.000 0.993 44 V HN 1.089 nan 8.190 nan 0.000 0.475 50 R N 5.168 125.744 120.500 0.126 0.000 2.215 50 R HA 0.506 4.842 4.340 -0.007 0.000 0.336 50 R C -2.415 174.003 176.300 0.197 0.000 0.996 50 R CA -1.400 54.783 56.100 0.138 0.000 0.847 50 R CB 1.316 31.663 30.300 0.080 0.000 1.127 50 R HN 0.172 nan 8.270 nan 0.000 0.465 51 P HA -0.045 nan 4.420 nan 0.000 0.268 51 P C -0.290 176.993 177.300 -0.029 0.000 1.205 51 P CA -0.039 63.041 63.100 -0.033 0.000 0.771 51 P CB 1.579 33.267 31.700 -0.021 0.000 0.858 52 V N 1.729 121.601 119.914 -0.070 0.000 3.165 52 V HA 0.221 4.336 4.120 -0.007 0.000 0.231 52 V C 0.418 176.611 176.094 0.165 0.000 1.365 52 V CA 0.988 63.346 62.300 0.097 0.000 1.286 52 V CB 0.045 31.887 31.823 0.031 0.000 1.081 52 V HN 0.530 nan 8.190 nan 0.000 0.477 53 K N 0.516 120.937 120.400 0.036 0.000 2.569 53 K HA 0.388 4.703 4.320 -0.007 0.000 0.259 53 K C -1.415 175.155 176.600 -0.050 0.000 0.932 53 K CA -0.252 56.073 56.287 0.063 0.000 0.833 53 K CB 2.076 34.666 32.500 0.151 0.000 1.340 53 K HN 0.148 nan 8.250 nan 0.000 0.429 54 E N 3.177 123.350 120.200 -0.045 0.000 2.199 54 E HA 0.578 4.924 4.350 -0.007 0.000 0.269 54 E C -1.139 175.435 176.600 -0.043 0.000 0.899 54 E CA -0.977 55.381 56.400 -0.071 0.000 0.772 54 E CB 1.677 31.331 29.700 -0.077 0.000 1.155 54 E HN 0.454 nan 8.360 nan 0.000 0.408 55 V N 0.108 119.989 119.914 -0.055 0.000 2.962 55 V HA 0.821 4.937 4.120 -0.007 0.000 0.313 55 V C 0.165 176.210 176.094 -0.083 0.000 1.099 55 V CA -0.901 61.358 62.300 -0.068 0.000 0.971 55 V CB 1.626 33.401 31.823 -0.080 0.000 1.028 55 V HN 0.666 nan 8.190 nan 0.000 0.430 56 G N 3.670 112.416 108.800 -0.090 0.000 2.356 56 G HA2 0.597 4.553 3.960 -0.007 0.000 0.298 56 G HA3 0.597 4.553 3.960 -0.007 0.000 0.298 56 G C -0.404 174.372 174.900 -0.206 0.000 1.145 56 G CA -0.827 44.216 45.100 -0.096 0.000 0.850 56 G HN 0.580 nan 8.290 nan 0.000 0.487 57 M N 1.249 120.705 119.600 -0.240 0.000 2.409 57 M HA 0.244 4.720 4.480 -0.007 0.000 0.329 57 M C -0.702 175.322 176.300 -0.460 0.000 1.180 57 M CA -0.871 54.214 55.300 -0.358 0.000 1.053 57 M CB 1.529 33.935 32.600 -0.324 0.000 1.586 57 M HN 0.450 nan 8.290 nan 0.000 0.461 58 Y N 1.035 120.965 120.300 -0.616 0.000 2.971 58 Y HA 0.509 5.054 4.550 -0.008 0.000 0.384 58 Y C 1.039 176.071 175.900 -1.447 0.000 1.166 58 Y CA -0.576 56.812 58.100 -1.186 0.000 1.973 58 Y CB -0.907 37.298 38.460 -0.426 0.000 2.082 58 Y HN 0.739 nan 8.280 nan 0.000 0.420 59 G N -0.050 107.852 108.800 -1.498 0.000 2.489 59 G HA2 0.297 4.253 3.960 -0.007 0.000 0.291 59 G HA3 0.297 4.253 3.960 -0.007 0.000 0.291 59 G C -1.465 173.072 174.900 -0.605 0.000 1.487 59 G CA -1.274 43.259 45.100 -0.945 0.000 0.795 59 G HN 0.029 nan 8.290 nan 0.000 0.513 60 K N 0.803 121.086 120.400 -0.195 0.000 2.316 60 K HA 0.332 4.647 4.320 -0.007 0.000 0.289 60 K C 0.178 176.686 176.600 -0.154 0.000 1.070 60 K CA -0.278 55.937 56.287 -0.120 0.000 0.928 60 K CB 1.370 33.825 32.500 -0.074 0.000 1.039 60 K HN 0.350 nan 8.250 nan 0.000 0.480 61 I N 3.200 123.676 120.570 -0.157 0.000 2.664 61 I HA -0.125 4.040 4.170 -0.007 0.000 0.284 61 I C 1.165 177.211 176.117 -0.119 0.000 1.154 61 I CA 0.281 61.492 61.300 -0.149 0.000 1.402 61 I CB 0.860 38.776 38.000 -0.139 0.000 1.395 61 I HN 0.788 nan 8.210 nan 0.000 0.545 62 A N 6.275 129.023 122.820 -0.121 0.000 1.963 62 A HA 0.351 4.667 4.320 -0.007 0.000 0.207 62 A C 0.672 178.225 177.584 -0.051 0.000 1.243 62 A CA 0.448 52.434 52.037 -0.085 0.000 0.728 62 A CB 0.470 19.411 19.000 -0.099 0.000 0.895 62 A HN 0.440 nan 8.150 nan 0.000 0.467 63 V N 0.088 119.964 119.914 -0.064 0.000 2.735 63 V HA 0.586 4.702 4.120 -0.007 0.000 0.310 63 V C -0.634 175.423 176.094 -0.062 0.000 1.061 63 V CA -0.276 62.018 62.300 -0.009 0.000 0.913 63 V CB 1.683 33.562 31.823 0.094 0.000 1.005 63 V HN 0.508 nan 8.190 nan 0.000 0.428 64 M N 4.138 123.737 119.600 -0.001 0.000 2.150 64 M HA 0.517 4.993 4.480 -0.007 0.000 0.255 64 M C -1.819 174.514 176.300 0.055 0.000 0.963 64 M CA -0.222 55.062 55.300 -0.026 0.000 1.033 64 M CB 1.287 33.846 32.600 -0.068 0.000 2.007 64 M HN 0.608 nan 8.290 nan 0.000 0.462 65 E N 4.815 125.101 120.200 0.144 0.000 2.246 65 E HA 0.497 4.842 4.350 -0.007 0.000 0.266 65 E C -1.349 175.409 176.600 0.263 0.000 0.880 65 E CA -0.532 55.985 56.400 0.195 0.000 0.762 65 E CB 2.831 32.666 29.700 0.224 0.000 1.180 65 E HN 0.753 nan 8.360 nan 0.000 0.416 66 L N 3.561 124.900 121.223 0.192 0.000 2.357 66 L HA 0.585 4.920 4.340 -0.007 0.000 0.273 66 L C -0.156 176.921 176.870 0.346 0.000 1.080 66 L CA -0.746 54.216 54.840 0.203 0.000 0.803 66 L CB 0.342 42.436 42.059 0.059 0.000 1.174 66 L HN 0.496 nan 8.230 nan 0.000 0.443 67 F N 0.217 120.217 119.950 0.083 0.000 2.690 67 F HA 0.496 5.019 4.527 -0.007 0.000 0.311 67 F C -1.079 174.772 175.800 0.085 0.000 1.111 67 F CA -1.106 56.938 58.000 0.074 0.000 1.003 67 F CB 1.283 40.306 39.000 0.039 0.000 1.283 67 F HN 0.294 nan 8.300 nan 0.000 0.442 68 R N 3.852 124.384 120.500 0.055 0.000 2.310 68 R HA 0.554 4.889 4.340 -0.007 0.000 0.316 68 R C -2.752 173.573 176.300 0.041 0.000 1.004 68 R CA -1.683 54.392 56.100 -0.041 0.000 0.900 68 R CB 1.222 31.538 30.300 0.027 0.000 1.152 68 R HN 0.515 nan 8.270 nan 0.000 0.513 69 P HA 0.071 nan 4.420 nan 0.000 0.271 69 P C -0.842 176.482 177.300 0.039 0.000 1.233 69 P CA -0.101 63.045 63.100 0.077 0.000 0.789 69 P CB 0.462 32.213 31.700 0.084 0.000 0.951 70 K N 1.211 121.638 120.400 0.045 0.000 2.419 70 K HA 0.477 4.792 4.320 -0.007 0.000 0.282 70 K C 0.830 177.442 176.600 0.019 0.000 1.056 70 K CA 0.332 56.637 56.287 0.030 0.000 1.035 70 K CB -1.267 31.252 32.500 0.031 0.000 0.921 70 K HN 1.015 nan 8.250 nan 0.000 0.472 75 D N 1.481 121.925 120.400 0.072 0.000 2.472 75 D HA 0.283 4.918 4.640 -0.007 0.000 0.237 75 D C 0.396 176.728 176.300 0.052 0.000 1.141 75 D CA 0.164 54.190 54.000 0.043 0.000 0.875 75 D CB 0.552 41.426 40.800 0.124 0.000 1.192 75 D HN 0.489 nan 8.370 nan 0.000 0.450 76 L N 1.216 122.302 121.223 -0.228 0.000 2.358 76 L HA 0.459 4.794 4.340 -0.007 0.000 0.268 76 L C -0.218 176.591 176.870 -0.101 0.000 1.032 76 L CA -1.157 53.570 54.840 -0.187 0.000 0.805 76 L CB 0.966 42.726 42.059 -0.499 0.000 1.253 76 L HN 0.157 nan 8.230 nan 0.000 0.452 77 L N 1.371 122.652 121.223 0.097 0.000 2.325 77 L HA 0.472 4.807 4.340 -0.007 0.000 0.281 77 L C -0.987 176.054 176.870 0.285 0.000 1.004 77 L CA -0.072 54.800 54.840 0.052 0.000 0.823 77 L CB 1.307 43.149 42.059 -0.361 0.000 1.236 77 L HN 0.311 nan 8.230 nan 0.000 0.415 78 F N 6.412 126.526 119.950 0.272 0.000 2.408 78 F HA 0.666 5.188 4.527 -0.008 0.000 0.344 78 F C -0.795 175.028 175.800 0.039 0.000 1.112 78 F CA -0.656 57.449 58.000 0.175 0.000 1.096 78 F CB 0.736 39.785 39.000 0.083 0.000 1.129 78 F HN 0.276 nan 8.300 nan 0.000 0.486 79 I N 7.373 127.427 120.570 -0.860 0.000 2.509 79 I HA 0.380 4.546 4.170 -0.007 0.000 0.293 79 I C -1.332 174.178 176.117 -1.012 0.000 1.020 79 I CA -0.916 59.939 61.300 -0.743 0.000 1.088 79 I CB 1.827 39.600 38.000 -0.378 0.000 1.267 79 I HN 0.551 nan 8.210 nan 0.000 0.430 80 L N 5.955 126.790 121.223 -0.647 0.000 2.365 80 L HA 0.589 4.924 4.340 -0.007 0.000 0.273 80 L C 0.287 177.024 176.870 -0.222 0.000 1.000 80 L CA 0.013 54.640 54.840 -0.355 0.000 0.819 80 L CB 2.019 44.000 42.059 -0.130 0.000 1.284 80 L HN 0.793 nan 8.230 nan 0.000 0.418 81 T N 1.159 115.604 114.554 -0.181 0.000 2.912 81 T HA 0.602 4.947 4.350 -0.007 0.000 0.280 81 T C 1.035 175.601 174.700 -0.222 0.000 0.989 81 T CA -0.137 61.861 62.100 -0.170 0.000 0.995 81 T CB 1.460 70.245 68.868 -0.138 0.000 1.077 81 T HN 0.736 nan 8.240 nan 0.000 0.531 82 A N 0.185 122.885 122.820 -0.200 0.000 2.121 82 A HA 0.078 4.393 4.320 -0.007 0.000 0.218 82 A C 1.964 179.269 177.584 -0.466 0.000 1.154 82 A CA 0.780 52.648 52.037 -0.280 0.000 0.679 82 A CB -0.640 18.306 19.000 -0.090 0.000 0.795 82 A HN 0.835 nan 8.150 nan 0.000 0.458 83 K N -1.550 118.688 120.400 -0.271 0.000 2.437 83 K HA 0.215 4.531 4.320 -0.007 0.000 0.198 83 K C -0.849 175.763 176.600 0.020 0.000 1.024 83 K CA -0.121 56.079 56.287 -0.147 0.000 1.148 83 K CB -0.062 32.461 32.500 0.039 0.000 0.860 83 K HN 0.526 nan 8.250 nan 0.000 0.515 84 Y N -1.626 118.724 120.300 0.084 0.000 4.569 84 Y HA -0.283 4.263 4.550 -0.008 0.000 0.237 84 Y C -0.635 175.278 175.900 0.023 0.000 1.090 84 Y CA -0.164 57.964 58.100 0.047 0.000 2.052 84 Y CB -2.893 35.605 38.460 0.062 0.000 1.621 84 Y HN 0.202 nan 8.280 nan 0.000 0.682 85 N N 1.373 120.116 118.700 0.072 0.000 2.452 85 N HA 0.524 5.260 4.740 -0.007 0.000 0.266 85 N C -0.043 175.452 175.510 -0.024 0.000 1.175 85 N CA 0.422 53.481 53.050 0.015 0.000 0.945 85 N CB 0.869 39.353 38.487 -0.005 0.000 1.063 85 N HN 0.425 nan 8.380 nan 0.000 0.472 86 A N 1.632 124.459 122.820 0.011 0.000 2.330 86 A HA 0.737 5.052 4.320 -0.007 0.000 0.327 86 A C -0.297 177.299 177.584 0.021 0.000 1.155 86 A CA -0.689 51.350 52.037 0.004 0.000 0.803 86 A CB 0.299 19.407 19.000 0.180 0.000 1.208 86 A HN 0.887 nan 8.150 nan 0.000 0.477 87 C N 0.676 119.929 119.300 -0.079 0.000 3.086 87 C HA 0.827 5.283 4.460 -0.007 0.000 0.311 87 C C -0.809 174.246 174.990 0.107 0.000 1.260 87 C CA -0.876 58.168 59.018 0.044 0.000 1.426 87 C CB 0.054 27.794 27.740 0.000 0.000 1.826 87 C HN 0.741 nan 8.230 nan 0.000 0.474 88 I N 2.202 122.897 120.570 0.209 0.000 2.378 88 I HA 0.556 4.721 4.170 -0.007 0.000 0.291 88 I C -0.542 175.684 176.117 0.181 0.000 0.992 88 I CA -0.409 61.061 61.300 0.284 0.000 1.154 88 I CB 1.415 39.630 38.000 0.357 0.000 1.315 88 I HN 0.558 nan 8.210 nan 0.000 0.448 89 L N 6.012 127.342 121.223 0.179 0.000 2.342 89 L HA 0.591 4.926 4.340 -0.007 0.000 0.271 89 L C -0.410 176.618 176.870 0.264 0.000 1.008 89 L CA -0.636 54.308 54.840 0.174 0.000 0.818 89 L CB 2.182 44.334 42.059 0.156 0.000 1.296 89 L HN 0.556 nan 8.230 nan 0.000 0.427 90 E N 1.089 121.399 120.200 0.183 0.000 2.210 90 E HA 0.247 4.593 4.350 -0.007 0.000 0.266 90 E C -1.781 174.798 176.600 -0.037 0.000 0.883 90 E CA -0.755 55.706 56.400 0.101 0.000 0.761 90 E CB 1.988 31.698 29.700 0.016 0.000 1.156 90 E HN 0.449 nan 8.360 nan 0.000 0.412 91 Y N 3.171 123.163 120.300 -0.513 0.000 2.436 91 Y HA 0.369 4.915 4.550 -0.007 0.000 0.343 91 Y C 0.046 175.741 175.900 -0.342 0.000 1.008 91 Y CA 0.372 58.116 58.100 -0.593 0.000 1.241 91 Y CB 0.251 38.011 38.460 -1.166 0.000 1.153 91 Y HN 0.576 nan 8.280 nan 0.000 0.521 98 I N 3.375 123.801 120.570 -0.241 0.000 2.336 98 I HA 0.514 4.679 4.170 -0.007 0.000 0.292 98 I C -0.517 175.396 176.117 -0.340 0.000 0.991 98 I CA -0.408 60.684 61.300 -0.345 0.000 1.227 98 I CB 1.324 39.111 38.000 -0.354 0.000 1.366 98 I HN 0.392 nan 8.210 nan 0.000 0.466 99 D N 7.027 127.173 120.400 -0.424 0.000 2.646 99 D HA 0.472 5.108 4.640 -0.007 0.000 0.245 99 D C -0.534 175.547 176.300 -0.366 0.000 1.099 99 D CA -0.234 53.576 54.000 -0.317 0.000 0.849 99 D CB 2.952 43.618 40.800 -0.223 0.000 1.448 99 D HN 0.253 nan 8.370 nan 0.000 0.489 100 I N 3.101 123.537 120.570 -0.224 0.000 2.347 100 I HA 0.226 4.391 4.170 -0.007 0.000 0.283 100 I C 0.416 176.485 176.117 -0.079 0.000 1.058 100 I CA -0.646 60.582 61.300 -0.120 0.000 1.202 100 I CB 0.404 38.396 38.000 -0.014 0.000 1.386 100 I HN 0.223 nan 8.210 nan 0.000 0.475 101 I N 2.014 122.542 120.570 -0.070 0.000 2.532 101 I HA 0.411 4.576 4.170 -0.007 0.000 0.292 101 I C 0.138 176.252 176.117 -0.005 0.000 1.014 101 I CA -0.033 61.238 61.300 -0.048 0.000 1.340 101 I CB 1.090 39.058 38.000 -0.053 0.000 1.422 101 I HN 0.264 nan 8.210 nan 0.000 0.528 102 T N 5.980 120.527 114.554 -0.012 0.000 2.747 102 T HA 0.317 4.662 4.350 -0.007 0.000 0.301 102 T C 1.117 175.849 174.700 0.054 0.000 0.952 102 T CA -0.484 61.626 62.100 0.016 0.000 0.983 102 T CB 0.672 69.518 68.868 -0.037 0.000 0.930 102 T HN 0.529 nan 8.240 nan 0.000 0.494 103 R N 1.790 122.339 120.500 0.081 0.000 2.119 103 R HA 0.300 4.636 4.340 -0.007 0.000 0.222 103 R C 0.732 177.101 176.300 0.114 0.000 1.088 103 R CA 0.299 56.452 56.100 0.088 0.000 0.984 103 R CB 0.033 30.387 30.300 0.089 0.000 0.884 103 R HN 0.659 nan 8.270 nan 0.000 0.447 104 A N 1.227 124.137 122.820 0.149 0.000 2.566 104 A HA 0.524 4.840 4.320 -0.007 0.000 0.297 104 A C -1.214 176.494 177.584 0.207 0.000 1.059 104 A CA -0.836 51.293 52.037 0.153 0.000 0.691 104 A CB 1.309 20.384 19.000 0.124 0.000 1.282 104 A HN 0.409 nan 8.150 nan 0.000 0.401 105 H N 0.230 119.322 119.070 0.038 0.000 3.012 105 H HA 0.857 5.408 4.556 -0.008 0.000 0.367 105 H C -0.465 174.869 175.328 0.011 0.000 1.211 105 H CA -0.521 55.539 56.048 0.020 0.000 1.139 105 H CB 1.643 31.400 29.762 -0.008 0.000 1.838 105 H HN 1.763 nan 8.280 nan 0.000 0.550 106 G N 1.011 109.784 108.800 -0.044 0.000 2.489 106 G HA2 0.106 4.062 3.960 -0.007 0.000 0.291 106 G HA3 0.106 4.062 3.960 -0.007 0.000 0.291 106 G C -1.844 173.044 174.900 -0.021 0.000 1.487 106 G CA -0.997 44.038 45.100 -0.108 0.000 0.795 106 G HN 0.698 nan 8.290 nan 0.000 0.513 107 N N 0.107 118.780 118.700 -0.044 0.000 2.426 107 N HA 0.330 5.065 4.740 -0.007 0.000 0.275 107 N C 0.848 176.369 175.510 0.019 0.000 1.019 107 N CA -0.123 52.919 53.050 -0.014 0.000 0.941 107 N CB 1.903 40.339 38.487 -0.086 0.000 1.123 107 N HN 0.812 nan 8.380 nan 0.000 0.486 108 V N 1.289 121.247 119.914 0.073 0.000 3.214 108 V HA 0.259 4.375 4.120 -0.007 0.000 0.330 108 V C 0.735 176.828 176.094 -0.003 0.000 1.403 108 V CA -0.457 61.868 62.300 0.041 0.000 1.143 108 V CB -0.478 31.376 31.823 0.051 0.000 1.098 108 V HN 0.619 nan 8.190 nan 0.000 0.463 109 Q N 1.518 121.317 119.800 -0.002 0.000 2.361 109 Q HA 0.123 4.459 4.340 -0.007 0.000 0.276 109 Q C -0.703 175.244 176.000 -0.089 0.000 1.022 109 Q CA 0.369 56.068 55.803 -0.174 0.000 0.898 109 Q CB 0.622 29.362 28.738 0.003 0.000 1.246 109 Q HN 0.614 nan 8.270 nan 0.000 0.410 110 D N 1.775 122.121 120.400 -0.089 0.000 2.181 110 D HA 0.332 4.967 4.640 -0.007 0.000 0.248 110 D C 0.315 176.515 176.300 -0.167 0.000 1.020 110 D CA -0.183 53.740 54.000 -0.128 0.000 0.891 110 D CB 1.055 41.729 40.800 -0.210 0.000 1.187 110 D HN 0.650 nan 8.370 nan 0.000 0.443 120 I N 1.598 122.177 120.570 0.015 0.000 2.533 120 I HA 0.307 4.472 4.170 -0.007 0.000 0.284 120 I C -0.378 175.754 176.117 0.023 0.000 1.109 120 I CA 0.444 61.748 61.300 0.007 0.000 1.412 120 I CB 0.507 38.504 38.000 -0.005 0.000 1.396 120 I HN 0.149 nan 8.210 nan 0.000 0.543 121 I N 5.664 126.251 120.570 0.029 0.000 2.466 121 I HA 0.472 4.638 4.170 -0.007 0.000 0.289 121 I C 0.272 176.419 176.117 0.051 0.000 1.026 121 I CA -0.355 60.976 61.300 0.053 0.000 1.078 121 I CB 1.978 40.020 38.000 0.071 0.000 1.249 121 I HN 0.583 nan 8.210 nan 0.000 0.429 122 G N 7.256 116.104 108.800 0.079 0.000 2.530 122 G HA2 0.828 4.784 3.960 -0.007 0.000 0.316 122 G HA3 0.828 4.784 3.960 -0.007 0.000 0.316 122 G C -0.941 174.021 174.900 0.103 0.000 1.298 122 G CA -0.476 44.678 45.100 0.090 0.000 0.948 122 G HN 0.637 nan 8.290 nan 0.000 0.486 123 I N -1.012 119.615 120.570 0.095 0.000 2.994 123 I HA 0.714 4.879 4.170 -0.007 0.000 0.306 123 I C -1.200 175.019 176.117 0.169 0.000 1.195 123 I CA -1.510 59.900 61.300 0.183 0.000 1.001 123 I CB 2.696 40.852 38.000 0.260 0.000 1.244 123 I HN 0.265 nan 8.210 nan 0.000 0.437 124 I N 2.175 122.809 120.570 0.107 0.000 2.498 124 I HA 0.266 4.431 4.170 -0.007 0.000 0.290 124 I C -0.792 175.145 176.117 -0.300 0.000 1.032 124 I CA -0.486 60.700 61.300 -0.189 0.000 1.073 124 I CB 2.036 39.850 38.000 -0.310 0.000 1.251 124 I HN 0.701 nan 8.210 nan 0.000 0.426 125 D N 7.840 127.722 120.400 -0.863 0.000 2.472 125 D HA 0.049 4.685 4.640 -0.007 0.000 0.237 125 D C -1.720 174.338 176.300 -0.403 0.000 1.141 125 D CA -0.874 52.539 54.000 -0.979 0.000 0.875 125 D CB 1.171 41.324 40.800 -1.077 0.000 1.192 125 D HN 0.218 nan 8.370 nan 0.000 0.450 126 P HA -0.000 nan 4.420 nan 0.000 0.226 126 P C 0.428 177.697 177.300 -0.052 0.000 1.153 126 P CA 1.224 64.218 63.100 -0.177 0.000 0.777 126 P CB 0.014 31.507 31.700 -0.344 0.000 0.794 127 E N -1.707 118.439 120.200 -0.090 0.000 2.465 127 E HA 0.236 4.581 4.350 -0.007 0.000 0.195 127 E C 0.747 177.327 176.600 -0.035 0.000 1.028 127 E CA 0.192 56.575 56.400 -0.029 0.000 0.899 127 E CB -1.667 28.021 29.700 -0.019 0.000 1.032 127 E HN 0.214 nan 8.360 nan 0.000 0.468 128 C N 0.139 119.397 119.300 -0.071 0.000 4.235 128 C HA -0.199 4.257 4.460 -0.007 0.000 0.301 128 C C 1.869 176.803 174.990 -0.093 0.000 1.409 128 C CA 0.942 59.926 59.018 -0.056 0.000 2.024 128 C CB -2.629 25.188 27.740 0.129 0.000 1.286 128 C HN 0.757 nan 8.230 nan 0.000 0.746 129 R N -0.093 120.310 120.500 -0.161 0.000 2.246 129 R HA 0.239 4.574 4.340 -0.007 0.000 0.199 129 R C 0.744 176.957 176.300 -0.144 0.000 0.984 129 R CA 1.318 57.348 56.100 -0.117 0.000 1.015 129 R CB 0.124 30.365 30.300 -0.098 0.000 0.930 129 R HN 0.879 nan 8.270 nan 0.000 0.475 130 M N -2.033 117.413 119.600 -0.256 0.000 2.755 130 M HA 0.354 4.829 4.480 -0.007 0.000 0.276 130 M C -1.740 174.338 176.300 -0.371 0.000 1.129 130 M CA -0.779 54.365 55.300 -0.259 0.000 0.832 130 M CB 1.611 34.123 32.600 -0.147 0.000 1.700 130 M HN -0.251 nan 8.290 nan 0.000 0.518 131 I N 1.294 121.647 120.570 -0.361 0.000 2.412 131 I HA 0.757 4.923 4.170 -0.007 0.000 0.296 131 I C 0.279 176.247 176.117 -0.248 0.000 0.987 131 I CA -0.627 60.430 61.300 -0.406 0.000 1.180 131 I CB 2.113 39.677 38.000 -0.727 0.000 1.340 131 I HN 0.876 nan 8.210 nan 0.000 0.455 132 G N 6.716 115.478 108.800 -0.063 0.000 2.415 132 G HA2 0.764 4.720 3.960 -0.007 0.000 0.327 132 G HA3 0.764 4.720 3.960 -0.007 0.000 0.327 132 G C -1.115 173.538 174.900 -0.413 0.000 1.182 132 G CA -0.457 44.475 45.100 -0.279 0.000 0.924 132 G HN 0.429 nan 8.290 nan 0.000 0.470 133 L N 1.322 122.113 121.223 -0.720 0.000 2.409 133 L HA 0.667 5.003 4.340 -0.007 0.000 0.272 133 L C 0.634 177.267 176.870 -0.395 0.000 0.980 133 L CA -1.121 53.487 54.840 -0.387 0.000 0.826 133 L CB 1.979 43.901 42.059 -0.228 0.000 1.268 133 L HN 0.647 nan 8.230 nan 0.000 0.407 134 R N 3.821 124.243 120.500 -0.130 0.000 2.287 134 R HA 0.568 4.904 4.340 -0.007 0.000 0.327 134 R C 0.077 176.329 176.300 -0.081 0.000 1.109 134 R CA -0.133 55.952 56.100 -0.025 0.000 1.013 134 R CB -0.292 30.057 30.300 0.083 0.000 1.126 134 R HN 0.790 nan 8.270 nan 0.000 0.503 135 L N 0.355 121.466 121.223 -0.187 0.000 2.362 135 L HA 0.366 4.702 4.340 -0.007 0.000 0.204 135 L C -0.216 176.297 176.870 -0.594 0.000 1.060 135 L CA 0.321 54.897 54.840 -0.440 0.000 0.827 135 L CB 0.245 41.860 42.059 -0.739 0.000 1.027 135 L HN 0.665 nan 8.230 nan 0.000 0.474 136 Y N -0.990 119.327 120.300 0.029 0.000 2.524 136 Y HA 0.295 4.841 4.550 -0.008 0.000 0.347 136 Y C -0.506 175.411 175.900 0.028 0.000 1.005 136 Y CA -1.734 56.380 58.100 0.024 0.000 1.025 136 Y CB 0.958 39.414 38.460 -0.007 0.000 1.275 136 Y HN -0.132 nan 8.280 nan 0.000 0.460 137 D N 1.453 121.968 120.400 0.190 0.000 2.533 137 D HA 0.247 4.882 4.640 -0.007 0.000 0.236 137 D C 1.162 177.527 176.300 0.108 0.000 1.137 137 D CA 2.043 56.115 54.000 0.120 0.000 0.867 137 D CB 0.828 41.686 40.800 0.097 0.000 1.170 137 D HN 0.934 nan 8.370 nan 0.000 0.474 138 G N 1.582 110.429 108.800 0.079 0.000 2.176 138 G HA2 -0.242 3.714 3.960 -0.007 0.000 0.253 138 G HA3 -0.242 3.714 3.960 -0.007 0.000 0.253 138 G C 0.068 175.011 174.900 0.073 0.000 0.979 138 G CA -0.062 45.073 45.100 0.059 0.000 0.641 138 G HN 0.460 nan 8.290 nan 0.000 0.530 139 L N -0.813 120.478 121.223 0.113 0.000 2.431 139 L HA 0.743 5.079 4.340 -0.007 0.000 0.266 139 L C -0.939 176.038 176.870 0.178 0.000 0.978 139 L CA -1.147 53.767 54.840 0.124 0.000 0.822 139 L CB 2.100 44.230 42.059 0.118 0.000 1.310 139 L HN 0.056 nan 8.230 nan 0.000 0.409 140 F N 3.362 123.296 119.950 -0.027 0.000 2.427 140 F HA 0.451 4.974 4.527 -0.007 0.000 0.348 140 F C -0.045 175.680 175.800 -0.124 0.000 1.125 140 F CA -0.674 57.296 58.000 -0.050 0.000 0.989 140 F CB 1.273 40.294 39.000 0.036 0.000 1.165 140 F HN 0.309 nan 8.300 nan 0.000 0.442 141 K N 5.519 125.606 120.400 -0.522 0.000 2.201 141 K HA 0.631 4.946 4.320 -0.007 0.000 0.278 141 K C -1.612 174.563 176.600 -0.708 0.000 1.027 141 K CA -0.477 55.522 56.287 -0.479 0.000 0.909 141 K CB 1.095 33.411 32.500 -0.305 0.000 1.062 141 K HN 0.522 nan 8.250 nan 0.000 0.465 142 V N 6.425 125.891 119.914 -0.747 0.000 2.448 142 V HA 0.376 4.491 4.120 -0.007 0.000 0.295 142 V C -0.355 175.353 176.094 -0.644 0.000 1.025 142 V CA -0.817 61.026 62.300 -0.760 0.000 0.859 142 V CB 1.507 32.728 31.823 -1.004 0.000 0.988 142 V HN 0.690 nan 8.190 nan 0.000 0.431 143 I N 7.501 127.827 120.570 -0.407 0.000 2.330 143 I HA 0.357 4.523 4.170 -0.007 0.000 0.286 143 I C -2.372 173.622 176.117 -0.206 0.000 1.025 143 I CA -1.840 59.297 61.300 -0.270 0.000 1.197 143 I CB 1.726 39.583 38.000 -0.238 0.000 1.358 143 I HN 0.435 nan 8.210 nan 0.000 0.467 144 P HA 0.191 nan 4.420 nan 0.000 0.268 144 P C -0.504 176.762 177.300 -0.057 0.000 1.205 144 P CA -0.005 63.075 63.100 -0.034 0.000 0.771 144 P CB 0.680 32.425 31.700 0.074 0.000 0.858 149 N N -0.197 118.515 118.700 0.020 0.000 2.801 149 N HA 0.579 5.315 4.740 -0.007 0.000 0.235 149 N C 1.189 176.706 175.510 0.011 0.000 1.069 149 N CA 0.383 53.439 53.050 0.010 0.000 0.946 149 N CB 0.752 39.243 38.487 0.006 0.000 1.212 149 N HN 1.023 nan 8.380 nan 0.000 0.509 150 K N -0.547 119.858 120.400 0.007 0.000 2.432 150 K HA 0.243 4.559 4.320 -0.007 0.000 0.196 150 K C 1.687 178.263 176.600 -0.039 0.000 1.038 150 K CA 1.396 57.689 56.287 0.011 0.000 0.986 150 K CB -0.736 31.776 32.500 0.020 0.000 0.782 150 K HN 0.837 nan 8.250 nan 0.000 0.485 151 E N 0.012 120.173 120.200 -0.065 0.000 2.474 151 E HA 0.437 4.782 4.350 -0.007 0.000 0.195 151 E C 0.916 177.460 176.600 -0.092 0.000 1.039 151 E CA 0.257 56.579 56.400 -0.130 0.000 0.881 151 E CB -0.660 28.978 29.700 -0.104 0.000 0.970 151 E HN 0.572 nan 8.360 nan 0.000 0.486 152 L N -1.221 119.979 121.223 -0.038 0.000 3.739 152 L HA -0.214 4.122 4.340 -0.007 0.000 0.442 152 L C 0.944 177.798 176.870 -0.026 0.000 1.241 152 L CA 0.414 55.245 54.840 -0.014 0.000 0.819 152 L CB -2.591 39.484 42.059 0.027 0.000 1.679 152 L HN 0.515 nan 8.230 nan 0.000 0.889 153 K N 0.374 120.761 120.400 -0.023 0.000 2.448 153 K HA 0.711 5.026 4.320 -0.007 0.000 0.278 153 K C 0.512 177.106 176.600 -0.011 0.000 1.009 153 K CA 0.606 56.886 56.287 -0.011 0.000 0.995 153 K CB 0.791 33.293 32.500 0.004 0.000 0.917 153 K HN 0.590 nan 8.250 nan 0.000 0.481 154 A N 1.268 124.077 122.820 -0.019 0.000 2.387 154 A HA 0.979 5.294 4.320 -0.007 0.000 0.303 154 A C -0.571 177.027 177.584 0.024 0.000 1.145 154 A CA -0.670 51.317 52.037 -0.083 0.000 0.801 154 A CB 0.850 19.771 19.000 -0.132 0.000 1.342 154 A HN 1.480 nan 8.150 nan 0.000 0.440 155 F N -0.994 118.910 119.950 -0.076 0.000 2.603 155 F HA 0.686 5.208 4.527 -0.007 0.000 0.317 155 F C -0.615 175.130 175.800 -0.091 0.000 1.066 155 F CA -1.136 56.818 58.000 -0.077 0.000 0.941 155 F CB 1.290 40.244 39.000 -0.076 0.000 1.291 155 F HN 0.507 nan 8.300 nan 0.000 0.472 156 N N 1.591 120.355 118.700 0.108 0.000 2.438 156 N HA 0.592 5.327 4.740 -0.007 0.000 0.282 156 N C -1.209 174.344 175.510 0.072 0.000 1.037 156 N CA -0.661 52.399 53.050 0.016 0.000 0.942 156 N CB 1.673 40.163 38.487 0.005 0.000 1.136 156 N HN 0.483 nan 8.380 nan 0.000 0.481 157 I N 1.529 122.087 120.570 -0.021 0.000 2.412 157 I HA 0.400 4.565 4.170 -0.007 0.000 0.296 157 I C 0.840 176.904 176.117 -0.089 0.000 0.987 157 I CA -0.872 60.339 61.300 -0.149 0.000 1.180 157 I CB 1.377 39.042 38.000 -0.559 0.000 1.340 157 I HN 0.465 nan 8.210 nan 0.000 0.455 158 R N 5.218 125.670 120.500 -0.081 0.000 2.298 158 R HA 0.733 5.068 4.340 -0.007 0.000 0.310 158 R C -0.549 175.776 176.300 0.040 0.000 1.068 158 R CA -0.303 55.790 56.100 -0.012 0.000 0.957 158 R CB 0.038 30.325 30.300 -0.021 0.000 1.003 158 R HN 0.658 nan 8.270 nan 0.000 0.454 159 L N 1.887 123.161 121.223 0.086 0.000 2.287 159 L HA 0.465 4.800 4.340 -0.007 0.000 0.287 159 L C 1.067 177.950 176.870 0.021 0.000 1.022 159 L CA -0.688 54.207 54.840 0.090 0.000 0.814 159 L CB 0.900 42.985 42.059 0.044 0.000 1.217 159 L HN 1.044 nan 8.230 nan 0.000 0.420 160 E N 0.671 120.877 120.200 0.011 0.000 2.153 160 E HA -0.121 4.224 4.350 -0.007 0.000 0.194 160 E C -0.095 176.477 176.600 -0.045 0.000 0.988 160 E CA 1.424 57.818 56.400 -0.010 0.000 0.811 160 E CB 0.395 30.091 29.700 -0.007 0.000 0.746 160 E HN 0.865 nan 8.360 nan 0.000 0.466 161 E N -0.100 120.044 120.200 -0.094 0.000 2.159 161 E HA 0.040 4.386 4.350 -0.007 0.000 0.272 161 E C 0.613 177.195 176.600 -0.029 0.000 1.138 161 E CA -0.017 56.296 56.400 -0.145 0.000 0.915 161 E CB 0.876 30.386 29.700 -0.318 0.000 1.028 161 E HN 0.161 nan 8.360 nan 0.000 0.423 162 L N 1.493 122.730 121.223 0.024 0.000 2.509 162 L HA 0.229 4.564 4.340 -0.007 0.000 0.222 162 L C 1.341 178.259 176.870 0.080 0.000 1.123 162 L CA 1.686 56.556 54.840 0.049 0.000 0.856 162 L CB -1.560 40.529 42.059 0.049 0.000 0.985 162 L HN 0.798 nan 8.230 nan 0.000 0.456 163 H N -1.240 117.903 119.070 0.122 0.000 2.569 163 H HA 0.696 5.247 4.556 -0.007 0.000 0.247 163 H C -0.652 174.791 175.328 0.192 0.000 1.346 163 H CA -0.328 55.804 56.048 0.139 0.000 1.502 163 H CB 0.288 30.132 29.762 0.136 0.000 1.512 163 H HN 0.229 nan 8.280 nan 0.000 0.502 164 V N 4.326 124.331 119.914 0.152 0.000 2.432 164 V HA 0.098 4.214 4.120 -0.007 0.000 0.271 164 V C 1.143 177.325 176.094 0.146 0.000 1.046 164 V CA -0.155 62.254 62.300 0.182 0.000 0.945 164 V CB 0.568 32.422 31.823 0.053 0.000 0.992 164 V HN 0.856 nan 8.190 nan 0.000 0.471 165 I N 2.295 122.961 120.570 0.160 0.000 2.339 165 I HA 0.150 4.315 4.170 -0.007 0.000 0.245 165 I C 0.737 176.913 176.117 0.098 0.000 1.096 165 I CA 1.215 62.578 61.300 0.106 0.000 1.408 165 I CB -0.314 37.731 38.000 0.075 0.000 1.092 165 I HN 0.635 nan 8.210 nan 0.000 0.423 166 D N -1.058 119.413 120.400 0.117 0.000 2.609 166 D HA 0.531 5.166 4.640 -0.007 0.000 0.239 166 D C -1.365 175.013 176.300 0.130 0.000 1.229 166 D CA -0.299 53.767 54.000 0.109 0.000 0.808 166 D CB 3.022 43.878 40.800 0.094 0.000 1.448 166 D HN -0.188 nan 8.370 nan 0.000 0.433 167 V N 1.869 121.845 119.914 0.104 0.000 2.932 167 V HA 0.728 4.843 4.120 -0.007 0.000 0.307 167 V C -1.774 174.348 176.094 0.048 0.000 1.147 167 V CA -0.505 61.839 62.300 0.074 0.000 0.951 167 V CB 1.964 33.793 31.823 0.010 0.000 1.031 167 V HN 0.502 nan 8.190 nan 0.000 0.426 168 K N 4.191 124.594 120.400 0.004 0.000 2.477 168 K HA 0.548 4.863 4.320 -0.007 0.000 0.255 168 K C -1.329 175.229 176.600 -0.070 0.000 0.952 168 K CA -0.397 55.910 56.287 0.033 0.000 0.826 168 K CB 2.099 34.668 32.500 0.115 0.000 1.331 168 K HN 0.564 nan 8.250 nan 0.000 0.437 169 F N 1.563 121.536 119.950 0.038 0.000 2.412 169 F HA 0.299 4.822 4.527 -0.007 0.000 0.348 169 F C 1.000 176.773 175.800 -0.046 0.000 1.102 169 F CA -0.356 57.636 58.000 -0.013 0.000 1.196 169 F CB 0.504 39.472 39.000 -0.053 0.000 1.144 169 F HN 0.115 nan 8.300 nan 0.000 0.541 170 L N 3.643 124.983 121.223 0.196 0.000 2.418 170 L HA 0.119 4.454 4.340 -0.007 0.000 0.265 170 L C 0.468 177.404 176.870 0.109 0.000 1.143 170 L CA -0.276 54.672 54.840 0.181 0.000 0.809 170 L CB 0.688 42.860 42.059 0.188 0.000 1.124 170 L HN 0.695 nan 8.230 nan 0.000 0.456 171 Y N 0.715 121.136 120.300 0.200 0.000 2.301 171 Y HA 0.036 4.581 4.550 -0.008 0.000 0.295 171 Y C 2.065 178.054 175.900 0.149 0.000 1.119 171 Y CA 0.776 58.980 58.100 0.173 0.000 1.162 171 Y CB 0.046 38.616 38.460 0.182 0.000 1.046 171 Y HN 0.694 nan 8.280 nan 0.000 0.538 172 G N -0.804 108.180 108.800 0.307 0.000 3.474 172 G HA2 0.205 4.161 3.960 -0.007 0.000 0.269 172 G HA3 0.205 4.161 3.960 -0.007 0.000 0.269 172 G C -0.786 174.213 174.900 0.165 0.000 1.339 172 G CA -0.055 45.178 45.100 0.222 0.000 1.258 172 G HN 0.183 nan 8.290 nan 0.000 0.560 173 C N -0.755 118.632 119.300 0.146 0.000 2.408 173 C HA 0.653 5.109 4.460 -0.007 0.000 0.321 173 C C 1.397 176.442 174.990 0.092 0.000 1.245 173 C CA 0.062 59.151 59.018 0.119 0.000 1.523 173 C CB 1.161 28.976 27.740 0.125 0.000 2.178 173 C HN 0.692 nan 8.230 nan 0.000 0.488 174 Q N 1.650 121.499 119.800 0.082 0.000 2.119 174 Q HA 0.297 4.633 4.340 -0.007 0.000 0.201 174 Q C 0.949 176.987 176.000 0.064 0.000 0.972 174 Q CA 1.771 57.614 55.803 0.067 0.000 0.847 174 Q CB -0.113 28.662 28.738 0.061 0.000 0.903 174 Q HN 1.112 nan 8.270 nan 0.000 0.433 175 A N 0.623 123.488 122.820 0.075 0.000 2.340 175 A HA 0.665 4.980 4.320 -0.007 0.000 0.331 175 A C -2.734 174.913 177.584 0.106 0.000 1.140 175 A CA -2.058 50.028 52.037 0.083 0.000 0.801 175 A CB 1.090 20.142 19.000 0.088 0.000 1.234 175 A HN 0.210 nan 8.150 nan 0.000 0.469 176 P HA 0.218 nan 4.420 nan 0.000 0.263 176 P C -0.591 176.888 177.300 0.299 0.000 1.195 176 P CA 0.679 63.889 63.100 0.184 0.000 0.762 176 P CB 0.551 32.342 31.700 0.151 0.000 0.799 177 T N 4.271 119.027 114.554 0.337 0.000 2.881 177 T HA 0.544 4.890 4.350 -0.007 0.000 0.291 177 T C 0.320 175.074 174.700 0.089 0.000 0.990 177 T CA -0.517 61.685 62.100 0.170 0.000 0.976 177 T CB 0.367 69.279 68.868 0.074 0.000 0.970 177 T HN 0.228 nan 8.240 nan 0.000 0.438 178 I N -0.205 120.290 120.570 -0.126 0.000 2.577 178 I HA 0.828 4.993 4.170 -0.007 0.000 0.300 178 I C -0.035 175.943 176.117 -0.232 0.000 0.990 178 I CA -0.728 60.375 61.300 -0.329 0.000 1.283 178 I CB 1.099 38.759 38.000 -0.567 0.000 1.411 178 I HN 0.646 nan 8.210 nan 0.000 0.515 179 C N 6.787 125.981 119.300 -0.177 0.000 2.431 179 C HA 0.848 5.303 4.460 -0.007 0.000 0.321 179 C C -0.674 174.285 174.990 -0.051 0.000 1.202 179 C CA -0.627 58.255 59.018 -0.227 0.000 1.398 179 C CB 0.221 27.843 27.740 -0.195 0.000 2.047 179 C HN 0.823 nan 8.230 nan 0.000 0.465 180 F N 4.004 123.796 119.950 -0.263 0.000 2.613 180 F HA 0.831 5.354 4.527 -0.007 0.000 0.310 180 F C -1.311 174.441 175.800 -0.079 0.000 1.085 180 F CA -1.118 56.794 58.000 -0.146 0.000 0.945 180 F CB 0.990 39.905 39.000 -0.143 0.000 1.298 180 F HN 0.295 nan 8.300 nan 0.000 0.455 181 V N 3.046 123.013 119.914 0.088 0.000 2.439 181 V HA 0.460 4.575 4.120 -0.007 0.000 0.282 181 V C -0.853 175.380 176.094 0.231 0.000 1.039 181 V CA -0.595 61.705 62.300 0.000 0.000 0.913 181 V CB 0.900 32.707 31.823 -0.026 0.000 0.983 181 V HN 0.839 nan 8.190 nan 0.000 0.460 182 Y N 1.990 122.353 120.300 0.103 0.000 2.576 182 Y HA 0.799 5.346 4.550 -0.005 0.000 0.346 182 Y C -0.583 175.407 175.900 0.150 0.000 1.018 182 Y CA -1.371 56.839 58.100 0.183 0.000 1.050 182 Y CB 1.701 40.338 38.460 0.294 0.000 1.280 182 Y HN 0.532 nan 8.280 nan 0.000 0.474 183 Q N 2.134 122.103 119.800 0.283 0.000 2.337 183 Q HA 0.526 4.861 4.340 -0.007 0.000 0.266 183 Q C -1.858 174.307 176.000 0.276 0.000 1.023 183 Q CA -0.661 55.249 55.803 0.178 0.000 0.829 183 Q CB 1.651 30.449 28.738 0.100 0.000 1.306 183 Q HN 0.880 nan 8.270 nan 0.000 0.449 184 D N 2.547 123.103 120.400 0.259 0.000 2.596 184 D HA 0.496 5.131 4.640 -0.007 0.000 0.262 184 D C -2.174 174.226 176.300 0.167 0.000 1.210 184 D CA -1.221 52.917 54.000 0.231 0.000 0.873 184 D CB -0.030 40.937 40.800 0.279 0.000 1.408 184 D HN 0.378 nan 8.370 nan 0.000 0.441 189 H N 0.373 119.085 119.070 -0.595 0.000 3.016 189 H HA 0.433 4.986 4.556 -0.005 0.000 0.362 189 H C -1.286 173.621 175.328 -0.702 0.000 1.233 189 H CA -0.824 54.817 56.048 -0.679 0.000 1.124 189 H CB 2.805 31.994 29.762 -0.956 0.000 1.850 189 H HN 0.241 nan 8.280 nan 0.000 0.549 190 V N 1.647 121.337 119.914 -0.373 0.000 2.448 190 V HA 0.430 4.545 4.120 -0.007 0.000 0.295 190 V C -0.614 175.205 176.094 -0.459 0.000 1.025 190 V CA -0.353 61.697 62.300 -0.416 0.000 0.859 190 V CB 1.621 33.243 31.823 -0.335 0.000 0.988 190 V HN 0.711 nan 8.190 nan 0.000 0.431 191 K N 3.268 123.188 120.400 -0.799 0.000 2.444 191 K HA 0.810 5.125 4.320 -0.007 0.000 0.252 191 K C -0.826 175.079 176.600 -1.158 0.000 0.993 191 K CA -0.506 55.235 56.287 -0.910 0.000 0.847 191 K CB 2.416 34.372 32.500 -0.907 0.000 1.340 191 K HN 0.811 nan 8.250 nan 0.000 0.446 192 T N -1.376 112.566 114.554 -1.021 0.000 2.907 192 T HA 0.546 4.892 4.350 -0.007 0.000 0.292 192 T C -0.989 173.253 174.700 -0.764 0.000 1.043 192 T CA -0.666 60.914 62.100 -0.868 0.000 1.003 192 T CB 0.806 69.084 68.868 -0.985 0.000 1.084 192 T HN 0.465 nan 8.240 nan 0.000 0.483 193 Y N -0.408 119.689 120.300 -0.338 0.000 2.524 193 Y HA 0.459 5.005 4.550 -0.007 0.000 0.347 193 Y C 0.310 176.127 175.900 -0.138 0.000 1.005 193 Y CA -1.297 56.622 58.100 -0.301 0.000 1.025 193 Y CB 2.204 40.254 38.460 -0.685 0.000 1.275 193 Y HN 0.661 nan 8.280 nan 0.000 0.460 194 E N 1.563 121.871 120.200 0.180 0.000 2.301 194 E HA 0.403 4.749 4.350 -0.007 0.000 0.275 194 E C -1.226 175.558 176.600 0.306 0.000 1.030 194 E CA -0.659 55.856 56.400 0.191 0.000 0.852 194 E CB 1.791 31.574 29.700 0.139 0.000 1.060 194 E HN 0.212 nan 8.360 nan 0.000 0.401 195 V N 2.678 122.773 119.914 0.302 0.000 2.313 195 V HA 0.146 4.261 4.120 -0.007 0.000 0.278 195 V C -0.030 176.198 176.094 0.223 0.000 1.017 195 V CA -0.634 61.863 62.300 0.329 0.000 0.823 195 V CB 0.934 33.009 31.823 0.420 0.000 1.010 195 V HN 0.657 nan 8.190 nan 0.000 0.443 196 S N 5.417 121.213 115.700 0.161 0.000 2.442 196 S HA 0.558 5.024 4.470 -0.007 0.000 0.297 196 S C 0.627 175.280 174.600 0.088 0.000 1.131 196 S CA -0.642 57.620 58.200 0.102 0.000 1.092 196 S CB 1.267 64.500 63.200 0.056 0.000 0.998 196 S HN 0.519 nan 8.310 nan 0.000 0.478 197 L N 3.280 124.556 121.223 0.088 0.000 2.209 197 L HA 0.127 4.463 4.340 -0.007 0.000 0.207 197 L C 2.948 179.772 176.870 -0.077 0.000 1.094 197 L CA 0.551 55.432 54.840 0.068 0.000 0.790 197 L CB -0.329 41.797 42.059 0.112 0.000 0.932 197 L HN 0.696 nan 8.230 nan 0.000 0.447 198 R N 0.418 120.889 120.500 -0.047 0.000 2.096 198 R HA -0.202 4.134 4.340 -0.007 0.000 0.240 198 R C 1.856 178.086 176.300 -0.117 0.000 1.139 198 R CA 1.847 57.903 56.100 -0.072 0.000 0.952 198 R CB -0.171 30.107 30.300 -0.036 0.000 0.854 198 R HN 0.424 nan 8.270 nan 0.000 0.436 199 E N -0.042 120.095 120.200 -0.105 0.000 2.474 199 E HA 0.027 4.372 4.350 -0.007 0.000 0.194 199 E C -0.316 176.156 176.600 -0.213 0.000 1.041 199 E CA -0.081 56.243 56.400 -0.126 0.000 0.874 199 E CB 0.392 30.050 29.700 -0.070 0.000 0.914 199 E HN 0.109 nan 8.360 nan 0.000 0.498 200 K N 1.204 121.407 120.400 -0.328 0.000 3.156 200 K HA -0.232 4.084 4.320 -0.007 0.000 0.266 200 K C -0.375 176.099 176.600 -0.210 0.000 0.966 200 K CA 0.622 56.550 56.287 -0.598 0.000 0.719 200 K CB -1.032 30.881 32.500 -0.980 0.000 1.333 200 K HN 0.089 nan 8.250 nan 0.000 0.468 201 E N -0.603 119.525 120.200 -0.121 0.000 2.416 201 E HA 0.437 4.782 4.350 -0.007 0.000 0.280 201 E C -1.089 175.403 176.600 -0.179 0.000 1.055 201 E CA -0.783 55.499 56.400 -0.196 0.000 0.825 201 E CB 0.718 30.339 29.700 -0.131 0.000 1.312 201 E HN -0.012 nan 8.360 nan 0.000 0.452 202 F N 1.305 121.183 119.950 -0.120 0.000 2.450 202 F HA 0.411 4.934 4.527 -0.007 0.000 0.339 202 F C 0.739 176.484 175.800 -0.092 0.000 1.146 202 F CA 0.088 57.971 58.000 -0.194 0.000 1.267 202 F CB 0.492 39.117 39.000 -0.625 0.000 1.178 202 F HN 0.335 nan 8.300 nan 0.000 0.585 203 N N 0.226 119.064 118.700 0.229 0.000 2.265 203 N HA 0.294 5.029 4.740 -0.007 0.000 0.300 203 N C -1.368 174.272 175.510 0.216 0.000 1.148 203 N CA -1.338 51.809 53.050 0.162 0.000 0.772 203 N CB 1.802 40.358 38.487 0.116 0.000 1.434 203 N HN 0.429 nan 8.380 nan 0.000 0.481 204 K N 0.632 121.131 120.400 0.165 0.000 2.513 204 K HA -0.033 4.282 4.320 -0.007 0.000 0.275 204 K C 0.287 176.913 176.600 0.043 0.000 1.025 204 K CA 0.214 56.568 56.287 0.111 0.000 1.125 204 K CB -0.042 32.495 32.500 0.061 0.000 0.843 204 K HN 0.653 nan 8.250 nan 0.000 0.486 208 K N 0.746 121.258 120.400 0.186 0.000 2.372 208 K HA 0.900 5.216 4.320 -0.007 0.000 0.251 208 K C -1.046 175.640 176.600 0.144 0.000 1.055 208 K CA -0.532 55.773 56.287 0.030 0.000 0.879 208 K CB 2.520 34.973 32.500 -0.078 0.000 1.384 208 K HN 0.748 nan 8.250 nan 0.000 0.465 212 V N -2.169 117.626 119.914 -0.198 0.000 3.145 212 V HA 0.745 4.861 4.120 -0.007 0.000 0.311 212 V C 0.548 176.550 176.094 -0.153 0.000 1.238 212 V CA -0.794 61.426 62.300 -0.133 0.000 1.066 212 V CB 1.413 33.165 31.823 -0.118 0.000 1.144 212 V HN 1.029 nan 8.190 nan 0.000 0.465 213 E N 0.151 120.286 120.200 -0.108 0.000 2.502 213 E HA 0.135 4.481 4.350 -0.007 0.000 0.261 213 E C 1.311 177.840 176.600 -0.118 0.000 0.974 213 E CA 0.534 56.875 56.400 -0.099 0.000 0.936 213 E CB 1.446 31.100 29.700 -0.075 0.000 0.926 213 E HN 0.992 nan 8.360 nan 0.000 0.459 214 A N 4.870 127.628 122.820 -0.103 0.000 2.076 214 A HA -0.184 4.131 4.320 -0.007 0.000 0.220 214 A C 1.114 178.651 177.584 -0.077 0.000 1.160 214 A CA 1.525 53.504 52.037 -0.097 0.000 0.653 214 A CB -0.056 18.902 19.000 -0.070 0.000 0.801 214 A HN 0.747 nan 8.150 nan 0.000 0.455 215 E N -0.684 119.477 120.200 -0.066 0.000 2.812 215 E HA 0.364 4.710 4.350 -0.007 0.000 0.211 215 E C -0.042 176.529 176.600 -0.047 0.000 0.986 215 E CA -0.094 56.278 56.400 -0.048 0.000 1.119 215 E CB 0.540 30.218 29.700 -0.036 0.000 1.046 215 E HN 0.496 nan 8.360 nan 0.000 0.474 216 A N 1.811 124.593 122.820 -0.064 0.000 2.561 216 A HA 0.090 4.405 4.320 -0.007 0.000 0.251 216 A C 1.089 178.650 177.584 -0.038 0.000 1.062 216 A CA 0.650 52.652 52.037 -0.059 0.000 0.761 216 A CB -0.052 18.899 19.000 -0.082 0.000 0.986 216 A HN 0.257 nan 8.150 nan 0.000 0.510 217 S N 1.377 117.067 115.700 -0.018 0.000 2.817 217 S HA 0.460 4.925 4.470 -0.007 0.000 0.262 217 S C -0.049 174.569 174.600 0.030 0.000 1.051 217 S CA -0.112 58.093 58.200 0.008 0.000 1.185 217 S CB -0.197 63.010 63.200 0.012 0.000 1.152 217 S HN 0.715 nan 8.310 nan 0.000 0.653 218 M N 2.063 121.674 119.600 0.019 0.000 2.277 218 M HA 0.522 4.997 4.480 -0.007 0.000 0.282 218 M C -2.130 174.166 176.300 -0.006 0.000 1.074 218 M CA -0.299 55.026 55.300 0.041 0.000 0.954 218 M CB 2.294 34.928 32.600 0.057 0.000 1.672 218 M HN 0.054 nan 8.290 nan 0.000 0.471 219 V N 5.606 125.531 119.914 0.018 0.000 2.483 219 V HA 0.599 4.714 4.120 -0.007 0.000 0.295 219 V C -0.469 175.595 176.094 -0.051 0.000 1.035 219 V CA -0.522 61.774 62.300 -0.007 0.000 0.896 219 V CB 1.918 33.762 31.823 0.035 0.000 0.986 219 V HN 0.719 nan 8.190 nan 0.000 0.447 220 I N 3.573 124.074 120.570 -0.116 0.000 2.447 220 I HA 0.595 4.761 4.170 -0.007 0.000 0.287 220 I C 0.272 176.416 176.117 0.046 0.000 1.023 220 I CA -0.679 60.526 61.300 -0.158 0.000 1.083 220 I CB 1.881 39.578 38.000 -0.505 0.000 1.245 220 I HN 0.662 nan 8.210 nan 0.000 0.434 221 A N 6.882 129.826 122.820 0.208 0.000 2.347 221 A HA 0.561 4.876 4.320 -0.007 0.000 0.287 221 A C -0.156 177.684 177.584 0.426 0.000 1.199 221 A CA -0.317 51.934 52.037 0.356 0.000 0.851 221 A CB 0.272 19.533 19.000 0.434 0.000 1.118 221 A HN 0.487 nan 8.150 nan 0.000 0.525 222 V N 6.247 126.370 119.914 0.349 0.000 2.498 222 V HA 0.288 4.403 4.120 -0.007 0.000 0.279 222 V C -1.751 174.441 176.094 0.164 0.000 1.048 222 V CA -1.249 61.218 62.300 0.278 0.000 0.967 222 V CB 1.003 32.998 31.823 0.287 0.000 0.988 222 V HN 0.839 nan 8.190 nan 0.000 0.473 223 P HA 0.233 nan 4.420 nan 0.000 0.277 223 P C -0.293 177.012 177.300 0.008 0.000 1.276 223 P CA -0.612 62.192 63.100 -0.493 0.000 0.788 223 P CB 0.738 32.059 31.700 -0.632 0.000 1.114 224 E N 0.763 120.971 120.200 0.014 0.000 2.383 224 E HA 0.061 4.407 4.350 -0.007 0.000 0.264 224 E C -1.299 175.297 176.600 -0.008 0.000 1.050 224 E CA -1.148 55.287 56.400 0.058 0.000 0.896 224 E CB 0.115 29.855 29.700 0.067 0.000 0.982 224 E HN 0.402 nan 8.360 nan 0.000 0.424 225 P HA 0.002 nan 4.420 nan 0.000 0.251 225 P C 0.404 177.641 177.300 -0.105 0.000 1.223 225 P CA 0.590 63.601 63.100 -0.149 0.000 0.796 225 P CB 0.267 31.807 31.700 -0.267 0.000 1.068 226 F N 1.346 121.324 119.950 0.047 0.000 2.084 226 F HA 0.166 4.689 4.527 -0.006 0.000 0.296 226 F C 1.987 177.906 175.800 0.198 0.000 1.111 226 F CA 1.674 59.727 58.000 0.090 0.000 1.224 226 F CB -1.375 37.651 39.000 0.044 0.000 0.991 226 F HN 0.089 nan 8.300 nan 0.000 0.471 227 G N -0.486 108.558 108.800 0.407 0.000 2.752 227 G HA2 0.259 4.215 3.960 -0.007 0.000 0.234 227 G HA3 0.259 4.215 3.960 -0.007 0.000 0.234 227 G C 0.383 175.527 174.900 0.406 0.000 1.367 227 G CA -0.297 45.023 45.100 0.367 0.000 0.879 227 G HN 1.418 nan 8.290 nan 0.000 0.563 228 G N -1.774 107.209 108.800 0.306 0.000 2.693 228 G HA2 0.469 4.424 3.960 -0.007 0.000 0.226 228 G HA3 0.469 4.424 3.960 -0.007 0.000 0.226 228 G C 0.196 175.192 174.900 0.160 0.000 1.354 228 G CA 1.121 46.292 45.100 0.118 0.000 0.873 228 G HN 2.942 nan 8.290 nan 0.000 0.562 229 A N -1.079 121.707 122.820 -0.055 0.000 2.486 229 A HA 0.797 5.112 4.320 -0.007 0.000 0.300 229 A C -0.427 177.166 177.584 0.016 0.000 1.048 229 A CA -0.349 51.736 52.037 0.081 0.000 0.696 229 A CB 1.319 20.445 19.000 0.210 0.000 1.278 229 A HN 1.286 nan 8.150 nan 0.000 0.405 230 I N 2.404 122.988 120.570 0.023 0.000 2.437 230 I HA 0.414 4.579 4.170 -0.007 0.000 0.298 230 I C -0.730 175.356 176.117 -0.052 0.000 0.984 230 I CA -0.621 60.664 61.300 -0.025 0.000 1.214 230 I CB 1.516 39.419 38.000 -0.162 0.000 1.365 230 I HN 0.391 nan 8.210 nan 0.000 0.469 231 I N 6.869 127.426 120.570 -0.021 0.000 2.411 231 I HA 0.329 4.494 4.170 -0.007 0.000 0.284 231 I C -0.392 175.691 176.117 -0.057 0.000 1.012 231 I CA -0.536 60.750 61.300 -0.023 0.000 1.119 231 I CB 1.413 39.438 38.000 0.041 0.000 1.261 231 I HN 0.274 nan 8.210 nan 0.000 0.448 232 I N 5.588 126.114 120.570 -0.074 0.000 2.304 232 I HA 0.430 4.595 4.170 -0.007 0.000 0.291 232 I C 0.931 177.016 176.117 -0.053 0.000 1.018 232 I CA 0.034 61.291 61.300 -0.073 0.000 1.260 232 I CB 0.824 38.784 38.000 -0.068 0.000 1.390 232 I HN 0.583 nan 8.210 nan 0.000 0.475 233 G N 5.539 114.303 108.800 -0.061 0.000 2.753 233 G HA2 0.336 4.292 3.960 -0.007 0.000 0.285 233 G HA3 0.336 4.292 3.960 -0.007 0.000 0.285 233 G C -0.332 174.533 174.900 -0.058 0.000 1.344 233 G CA -0.375 44.692 45.100 -0.055 0.000 1.050 233 G HN 0.445 nan 8.290 nan 0.000 0.532 234 Q N 0.291 120.061 119.800 -0.051 0.000 2.352 234 Q HA 0.148 4.484 4.340 -0.007 0.000 0.260 234 Q C 0.924 176.886 176.000 -0.063 0.000 0.976 234 Q CA 0.826 56.598 55.803 -0.052 0.000 0.881 234 Q CB 1.003 29.717 28.738 -0.040 0.000 1.235 234 Q HN 0.961 nan 8.270 nan 0.000 0.419 235 E N -0.148 120.008 120.200 -0.074 0.000 3.680 235 E HA -0.252 4.093 4.350 -0.007 0.000 0.309 235 E C -0.708 175.842 176.600 -0.082 0.000 0.793 235 E CA 1.365 57.720 56.400 -0.075 0.000 1.083 235 E CB -1.240 28.426 29.700 -0.056 0.000 1.548 235 E HN 0.270 nan 8.360 nan 0.000 0.456 236 S N -0.386 115.262 115.700 -0.087 0.000 2.536 236 S HA 0.735 5.200 4.470 -0.007 0.000 0.271 236 S C -1.191 173.353 174.600 -0.094 0.000 1.134 236 S CA -0.769 57.380 58.200 -0.086 0.000 0.897 236 S CB 1.319 64.476 63.200 -0.072 0.000 1.094 236 S HN 0.355 nan 8.310 nan 0.000 0.473 237 I N 3.508 124.019 120.570 -0.099 0.000 2.478 237 I HA 0.374 4.539 4.170 -0.007 0.000 0.287 237 I C -0.656 175.404 176.117 -0.095 0.000 1.042 237 I CA -0.483 60.756 61.300 -0.101 0.000 1.067 237 I CB 2.433 40.359 38.000 -0.124 0.000 1.233 237 I HN 0.502 nan 8.210 nan 0.000 0.431 238 T N 4.403 118.909 114.554 -0.079 0.000 2.863 238 T HA 0.432 4.778 4.350 -0.007 0.000 0.285 238 T C -1.160 173.481 174.700 -0.098 0.000 1.009 238 T CA -0.569 61.458 62.100 -0.123 0.000 0.989 238 T CB 1.851 70.650 68.868 -0.115 0.000 1.004 238 T HN 0.356 nan 8.240 nan 0.000 0.455 239 Y N 2.534 122.636 120.300 -0.330 0.000 2.409 239 Y HA 0.510 5.055 4.550 -0.009 0.000 0.339 239 Y C -0.356 175.226 175.900 -0.530 0.000 1.033 239 Y CA -0.725 57.197 58.100 -0.297 0.000 1.094 239 Y CB 1.084 39.396 38.460 -0.247 0.000 1.210 239 Y HN 0.667 nan 8.280 nan 0.000 0.456 240 H N 4.854 123.273 119.070 -1.085 0.000 2.759 240 H HA 0.255 4.806 4.556 -0.008 0.000 0.354 240 H C -0.897 173.537 175.328 -1.490 0.000 1.074 240 H CA -0.704 54.639 56.048 -1.176 0.000 1.226 240 H CB 2.085 31.053 29.762 -1.322 0.000 1.648 240 H HN 0.622 nan 8.280 nan 0.000 0.529 241 N N 1.387 119.469 118.700 -1.029 0.000 2.390 241 N HA 0.197 4.933 4.740 -0.007 0.000 0.259 241 N C 0.084 175.245 175.510 -0.582 0.000 1.395 241 N CA 0.579 53.194 53.050 -0.724 0.000 0.852 241 N CB 1.170 39.515 38.487 -0.236 0.000 1.371 241 N HN 1.091 nan 8.380 nan 0.000 0.491 246 L N 1.609 122.718 121.223 -0.190 0.000 2.307 246 L HA 1.013 5.349 4.340 -0.007 0.000 0.282 246 L C 0.388 177.160 176.870 -0.164 0.000 1.051 246 L CA -0.712 54.049 54.840 -0.132 0.000 0.804 246 L CB 0.795 42.814 42.059 -0.066 0.000 1.197 246 L HN 2.557 nan 8.230 nan 0.000 0.431 247 A N 3.039 125.779 122.820 -0.134 0.000 2.469 247 A HA 0.978 5.293 4.320 -0.007 0.000 0.299 247 A C -0.546 176.981 177.584 -0.095 0.000 1.098 247 A CA -0.199 51.764 52.037 -0.123 0.000 0.737 247 A CB 1.415 20.343 19.000 -0.120 0.000 1.312 247 A HN 2.096 nan 8.150 nan 0.000 0.414 248 I N -2.323 118.192 120.570 -0.092 0.000 2.865 248 I HA 0.863 5.029 4.170 -0.007 0.000 0.302 248 I C -0.285 175.782 176.117 -0.083 0.000 1.140 248 I CA -1.085 60.165 61.300 -0.083 0.000 1.021 248 I CB 2.563 40.512 38.000 -0.085 0.000 1.233 248 I HN 0.712 nan 8.210 nan 0.000 0.427 249 A N 4.669 127.445 122.820 -0.074 0.000 2.842 249 A HA 0.732 5.048 4.320 -0.007 0.000 0.339 249 A C -2.717 174.824 177.584 -0.072 0.000 1.177 249 A CA -1.212 50.780 52.037 -0.074 0.000 0.797 249 A CB -0.265 18.698 19.000 -0.063 0.000 1.094 249 A HN 0.584 nan 8.150 nan 0.000 0.474 250 P HA 0.374 nan 4.420 nan 0.000 0.287 250 P C -2.270 174.985 177.300 -0.076 0.000 1.281 250 P CA -1.470 61.582 63.100 -0.080 0.000 0.781 250 P CB 1.159 32.797 31.700 -0.103 0.000 0.903 251 P HA -0.195 nan 4.420 nan 0.000 0.216 251 P C 1.925 179.208 177.300 -0.028 0.000 1.150 251 P CA 1.449 64.528 63.100 -0.035 0.000 0.837 251 P CB -0.648 31.040 31.700 -0.019 0.000 0.786 252 I N 0.456 121.015 120.570 -0.018 0.000 2.188 252 I HA -0.281 3.884 4.170 -0.007 0.000 0.246 252 I C 2.236 178.343 176.117 -0.016 0.000 1.033 252 I CA 2.886 64.199 61.300 0.021 0.000 1.307 252 I CB -2.194 35.822 38.000 0.028 0.000 1.005 252 I HN 0.171 nan 8.210 nan 0.000 0.421 253 I N -2.231 118.247 120.570 -0.152 0.000 3.793 253 I HA 0.327 4.492 4.170 -0.007 0.000 0.315 253 I C 2.280 178.336 176.117 -0.101 0.000 1.275 253 I CA 1.111 62.276 61.300 -0.225 0.000 1.214 253 I CB -0.498 37.271 38.000 -0.386 0.000 1.018 253 I HN 0.353 nan 8.210 nan 0.000 0.439 254 K N 1.015 121.379 120.400 -0.060 0.000 2.296 254 K HA 0.110 4.426 4.320 -0.007 0.000 0.200 254 K C 2.142 178.730 176.600 -0.019 0.000 1.048 254 K CA 1.477 57.739 56.287 -0.041 0.000 0.966 254 K CB -1.380 31.099 32.500 -0.036 0.000 0.754 254 K HN 0.662 nan 8.250 nan 0.000 0.466 255 Q N -0.241 119.559 119.800 -0.000 0.000 2.291 255 Q HA 0.201 4.537 4.340 -0.007 0.000 0.205 255 Q C 1.356 177.358 176.000 0.003 0.000 0.970 255 Q CA 1.333 57.141 55.803 0.008 0.000 0.876 255 Q CB -0.073 28.680 28.738 0.025 0.000 0.935 255 Q HN 0.607 nan 8.270 nan 0.000 0.455 256 S N -1.699 114.008 115.700 0.011 0.000 2.550 256 S HA 0.491 4.957 4.470 -0.007 0.000 0.270 256 S C -0.945 173.657 174.600 0.004 0.000 1.145 256 S CA -0.276 57.927 58.200 0.004 0.000 0.852 256 S CB 1.897 65.108 63.200 0.019 0.000 1.119 256 S HN 0.397 nan 8.310 nan 0.000 0.465 257 T N 3.460 118.009 114.554 -0.009 0.000 2.851 257 T HA 0.365 4.711 4.350 -0.007 0.000 0.298 257 T C 0.204 174.914 174.700 0.018 0.000 0.977 257 T CA 0.057 62.153 62.100 -0.006 0.000 1.126 257 T CB -0.091 68.770 68.868 -0.011 0.000 0.916 257 T HN 0.475 nan 8.240 nan 0.000 0.529 258 I N 3.853 124.433 120.570 0.017 0.000 2.396 258 I HA 0.067 4.232 4.170 -0.007 0.000 0.289 258 I C 1.340 177.490 176.117 0.054 0.000 1.056 258 I CA -0.125 61.203 61.300 0.048 0.000 1.365 258 I CB 1.091 39.105 38.000 0.024 0.000 1.407 258 I HN 0.545 nan 8.210 nan 0.000 0.509 259 V N 2.997 122.950 119.914 0.066 0.000 3.661 259 V HA 0.257 4.372 4.120 -0.007 0.000 0.271 259 V C 0.380 176.514 176.094 0.067 0.000 1.315 259 V CA -0.084 62.250 62.300 0.058 0.000 1.072 259 V CB 0.127 31.974 31.823 0.040 0.000 0.830 259 V HN 0.798 nan 8.190 nan 0.000 0.443 260 C N 1.264 120.616 119.300 0.086 0.000 3.285 260 C HA 0.842 5.298 4.460 -0.007 0.000 0.325 260 C C -1.154 173.918 174.990 0.137 0.000 1.304 260 C CA -0.100 58.954 59.018 0.060 0.000 1.319 260 C CB 1.445 29.198 27.740 0.023 0.000 1.640 260 C HN 0.960 nan 8.230 nan 0.000 0.477 261 H N 1.733 120.865 119.070 0.104 0.000 2.980 261 H HA 0.815 5.367 4.556 -0.008 0.000 0.367 261 H C -1.129 174.313 175.328 0.191 0.000 1.206 261 H CA -0.520 55.612 56.048 0.139 0.000 1.126 261 H CB 1.332 31.153 29.762 0.099 0.000 1.838 261 H HN 0.696 nan 8.280 nan 0.000 0.552 262 N N 0.434 119.358 118.700 0.374 0.000 2.406 262 N HA 0.214 4.949 4.740 -0.007 0.000 0.283 262 N C -1.559 174.119 175.510 0.279 0.000 1.074 262 N CA -0.782 52.448 53.050 0.300 0.000 0.916 262 N CB 2.234 40.823 38.487 0.170 0.000 1.639 262 N HN 0.679 nan 8.380 nan 0.000 0.485 263 R N 3.042 123.629 120.500 0.145 0.000 2.404 263 R HA 0.141 4.476 4.340 -0.007 0.000 0.315 263 R C 0.421 176.580 176.300 -0.235 0.000 1.032 263 R CA 0.068 55.954 56.100 -0.356 0.000 0.992 263 R CB 0.361 30.512 30.300 -0.249 0.000 0.959 263 R HN 0.521 nan 8.270 nan 0.000 0.428 264 V N 2.970 122.663 119.914 -0.369 0.000 2.300 264 V HA -0.105 4.011 4.120 -0.007 0.000 0.241 264 V C 0.612 176.525 176.094 -0.303 0.000 1.034 264 V CA 1.438 63.483 62.300 -0.424 0.000 1.021 264 V CB -0.125 31.331 31.823 -0.610 0.000 0.662 264 V HN 0.685 nan 8.190 nan 0.000 0.458 265 D N 0.056 120.295 120.400 -0.267 0.000 2.193 265 D HA 0.260 4.895 4.640 -0.007 0.000 0.249 265 D C -1.800 174.433 176.300 -0.113 0.000 1.034 265 D CA -1.767 52.146 54.000 -0.144 0.000 0.902 265 D CB 1.454 42.187 40.800 -0.112 0.000 1.182 265 D HN 0.048 nan 8.370 nan 0.000 0.436 266 P HA -0.108 nan 4.420 nan 0.000 0.220 266 P C 1.155 178.436 177.300 -0.030 0.000 1.148 266 P CA 0.663 63.750 63.100 -0.021 0.000 0.803 266 P CB 0.380 32.090 31.700 0.016 0.000 0.782 267 N N -0.180 118.512 118.700 -0.013 0.000 2.272 267 N HA -0.137 4.598 4.740 -0.007 0.000 0.185 267 N C 1.417 177.000 175.510 0.122 0.000 1.014 267 N CA 1.725 54.796 53.050 0.035 0.000 0.870 267 N CB -0.713 37.798 38.487 0.041 0.000 0.975 267 N HN 0.150 nan 8.380 nan 0.000 0.433 268 G N -0.631 108.172 108.800 0.005 0.000 2.155 268 G HA2 -0.326 3.629 3.960 -0.007 0.000 0.257 268 G HA3 -0.326 3.629 3.960 -0.007 0.000 0.257 268 G C 1.015 175.933 174.900 0.030 0.000 0.983 268 G CA 1.179 46.273 45.100 -0.011 0.000 0.676 268 G HN 0.581 nan 8.290 nan 0.000 0.528 269 S N -1.157 114.576 115.700 0.055 0.000 2.461 269 S HA 0.259 4.725 4.470 -0.007 0.000 0.228 269 S C 1.062 175.652 174.600 -0.017 0.000 1.005 269 S CA 0.932 59.174 58.200 0.069 0.000 0.942 269 S CB 0.334 63.610 63.200 0.127 0.000 0.776 269 S HN 0.649 nan 8.310 nan 0.000 0.514 270 R N -0.416 120.021 120.500 -0.105 0.000 2.686 270 R HA 0.616 4.952 4.340 -0.007 0.000 0.283 270 R C -2.004 174.160 176.300 -0.227 0.000 0.978 270 R CA -0.590 55.454 56.100 -0.094 0.000 0.897 270 R CB 1.560 31.790 30.300 -0.117 0.000 1.192 270 R HN 0.256 nan 8.270 nan 0.000 0.457 271 Y N 1.478 121.754 120.300 -0.040 0.000 2.477 271 Y HA 0.396 4.942 4.550 -0.007 0.000 0.347 271 Y C -0.116 175.803 175.900 0.032 0.000 0.981 271 Y CA -0.856 57.248 58.100 0.007 0.000 1.033 271 Y CB 1.732 40.208 38.460 0.027 0.000 1.245 271 Y HN 0.243 nan 8.280 nan 0.000 0.455 272 L N 4.310 125.656 121.223 0.205 0.000 2.395 272 L HA 0.568 4.903 4.340 -0.007 0.000 0.269 272 L C -0.784 176.229 176.870 0.238 0.000 1.133 272 L CA -0.537 54.412 54.840 0.183 0.000 0.812 272 L CB 0.736 42.879 42.059 0.141 0.000 1.125 272 L HN 0.466 nan 8.230 nan 0.000 0.452 273 L N 1.416 122.781 121.223 0.236 0.000 2.445 273 L HA 0.705 5.040 4.340 -0.007 0.000 0.262 273 L C -0.141 176.889 176.870 0.267 0.000 0.974 273 L CA -0.554 54.436 54.840 0.250 0.000 0.822 273 L CB 2.112 44.307 42.059 0.227 0.000 1.339 273 L HN 0.635 nan 8.230 nan 0.000 0.409 274 G N -0.210 108.709 108.800 0.197 0.000 2.482 274 G HA2 0.671 4.627 3.960 -0.007 0.000 0.317 274 G HA3 0.671 4.627 3.960 -0.007 0.000 0.317 274 G C -1.433 173.557 174.900 0.150 0.000 1.241 274 G CA 0.229 45.418 45.100 0.148 0.000 0.967 274 G HN 0.701 nan 8.290 nan 0.000 0.482 275 D N 0.726 121.208 120.400 0.137 0.000 2.392 275 D HA 0.520 5.156 4.640 -0.007 0.000 0.246 275 D C 1.188 177.513 176.300 0.041 0.000 1.013 275 D CA -0.747 53.321 54.000 0.114 0.000 0.993 275 D CB 1.340 42.249 40.800 0.181 0.000 1.219 275 D HN 0.416 nan 8.370 nan 0.000 0.538 276 M N 0.000 119.604 119.600 0.006 0.000 2.460 276 M HA 0.110 4.586 4.480 -0.007 0.000 0.263 276 M C 1.946 178.207 176.300 -0.066 0.000 1.071 276 M CA 2.244 57.516 55.300 -0.047 0.000 1.096 276 M CB -0.546 31.987 32.600 -0.111 0.000 1.408 276 M HN 0.754 nan 8.290 nan 0.000 0.463 277 E N -1.033 119.145 120.200 -0.037 0.000 2.474 277 E HA 0.485 4.831 4.350 -0.007 0.000 0.195 277 E C 1.415 178.006 176.600 -0.016 0.000 1.039 277 E CA 0.586 56.965 56.400 -0.035 0.000 0.881 277 E CB -0.946 28.738 29.700 -0.027 0.000 0.970 277 E HN 0.767 nan 8.360 nan 0.000 0.486 278 G N 0.693 109.486 108.800 -0.011 0.000 2.157 278 G HA2 -0.287 3.668 3.960 -0.007 0.000 0.248 278 G HA3 -0.287 3.668 3.960 -0.007 0.000 0.248 278 G C 0.562 175.423 174.900 -0.065 0.000 0.979 278 G CA 0.174 45.259 45.100 -0.024 0.000 0.650 278 G HN 0.557 nan 8.290 nan 0.000 0.529 279 R N -0.688 119.761 120.500 -0.085 0.000 2.543 279 R HA 0.589 4.924 4.340 -0.007 0.000 0.277 279 R C -0.076 176.039 176.300 -0.307 0.000 1.074 279 R CA -0.380 55.577 56.100 -0.238 0.000 1.076 279 R CB 0.865 30.988 30.300 -0.294 0.000 0.993 279 R HN 0.216 nan 8.270 nan 0.000 0.459 280 L N 3.808 124.774 121.223 -0.429 0.000 2.325 280 L HA 0.487 4.823 4.340 -0.007 0.000 0.281 280 L C -1.476 175.104 176.870 -0.484 0.000 1.004 280 L CA -0.167 54.497 54.840 -0.292 0.000 0.823 280 L CB 0.813 42.792 42.059 -0.134 0.000 1.236 280 L HN 0.429 nan 8.230 nan 0.000 0.415 281 F N 4.326 124.288 119.950 0.021 0.000 2.523 281 F HA 0.652 5.175 4.527 -0.007 0.000 0.329 281 F C 0.099 175.915 175.800 0.027 0.000 1.061 281 F CA -0.777 57.233 58.000 0.018 0.000 0.967 281 F CB 1.795 40.803 39.000 0.013 0.000 1.218 281 F HN 0.370 nan 8.300 nan 0.000 0.480 282 M N 2.922 122.655 119.600 0.221 0.000 2.336 282 M HA 0.558 5.033 4.480 -0.007 0.000 0.342 282 M C -1.782 174.597 176.300 0.131 0.000 1.128 282 M CA -0.745 54.638 55.300 0.138 0.000 1.016 282 M CB 1.402 34.042 32.600 0.068 0.000 1.665 282 M HN 0.517 nan 8.290 nan 0.000 0.445 283 L N 6.350 127.642 121.223 0.114 0.000 2.305 283 L HA 0.683 5.019 4.340 -0.007 0.000 0.284 283 L C -2.006 174.897 176.870 0.056 0.000 1.013 283 L CA -0.222 54.656 54.840 0.062 0.000 0.819 283 L CB 1.039 43.117 42.059 0.033 0.000 1.227 283 L HN 0.746 nan 8.230 nan 0.000 0.417 284 L N 6.054 127.281 121.223 0.006 0.000 2.296 284 L HA 0.507 4.842 4.340 -0.007 0.000 0.286 284 L C -0.681 176.151 176.870 -0.062 0.000 1.023 284 L CA -0.275 54.557 54.840 -0.013 0.000 0.812 284 L CB 1.556 43.609 42.059 -0.009 0.000 1.223 284 L HN 0.466 nan 8.230 nan 0.000 0.421 285 L N 2.842 124.009 121.223 -0.092 0.000 2.265 285 L HA 0.498 4.834 4.340 -0.007 0.000 0.289 285 L C 0.699 177.537 176.870 -0.053 0.000 1.033 285 L CA -0.542 54.174 54.840 -0.206 0.000 0.814 285 L CB 1.098 42.828 42.059 -0.548 0.000 1.203 285 L HN 0.782 nan 8.230 nan 0.000 0.423 286 E N 2.801 122.978 120.200 -0.038 0.000 2.217 286 E HA 0.451 4.796 4.350 -0.007 0.000 0.279 286 E C 0.404 177.083 176.600 0.132 0.000 1.068 286 E CA 0.026 56.448 56.400 0.036 0.000 0.882 286 E CB 0.337 30.037 29.700 -0.001 0.000 1.039 286 E HN 0.622 nan 8.360 nan 0.000 0.418 293 G N 1.434 110.229 108.800 -0.008 0.000 4.331 293 G HA2 0.384 4.339 3.960 -0.007 0.000 0.299 293 G HA3 0.384 4.339 3.960 -0.007 0.000 0.299 293 G C 0.530 175.415 174.900 -0.026 0.000 1.158 293 G CA 0.433 45.523 45.100 -0.016 0.000 0.916 293 G HN 0.236 nan 8.290 nan 0.000 0.553 294 T N -2.347 112.192 114.554 -0.026 0.000 2.814 294 T HA 0.666 5.011 4.350 -0.007 0.000 0.284 294 T C -0.261 174.398 174.700 -0.069 0.000 0.998 294 T CA -0.629 61.448 62.100 -0.038 0.000 0.935 294 T CB 2.070 70.929 68.868 -0.016 0.000 1.167 294 T HN 0.085 nan 8.240 nan 0.000 0.545 295 V N 1.492 121.342 119.914 -0.107 0.000 2.577 295 V HA 0.623 4.739 4.120 -0.007 0.000 0.303 295 V C 0.327 176.335 176.094 -0.145 0.000 1.042 295 V CA -0.821 61.373 62.300 -0.177 0.000 0.872 295 V CB 1.484 33.101 31.823 -0.343 0.000 0.998 295 V HN 1.335 nan 8.190 nan 0.000 0.423 296 T N 1.810 116.324 114.554 -0.066 0.000 2.942 296 T HA 0.762 5.108 4.350 -0.007 0.000 0.289 296 T C -0.646 174.121 174.700 0.113 0.000 1.044 296 T CA -0.776 61.349 62.100 0.041 0.000 1.023 296 T CB 1.877 70.770 68.868 0.041 0.000 1.123 296 T HN 0.436 nan 8.240 nan 0.000 0.512 297 L N 1.881 123.185 121.223 0.136 0.000 2.315 297 L HA 0.425 4.761 4.340 -0.007 0.000 0.283 297 L C 1.376 178.233 176.870 -0.021 0.000 1.089 297 L CA -0.063 54.794 54.840 0.029 0.000 0.833 297 L CB 0.424 42.190 42.059 -0.488 0.000 1.170 297 L HN 0.931 nan 8.230 nan 0.000 0.442 298 K N 2.727 123.129 120.400 0.004 0.000 2.005 298 K HA 0.020 4.336 4.320 -0.007 0.000 0.206 298 K C 0.062 176.633 176.600 -0.048 0.000 1.044 298 K CA 1.121 57.398 56.287 -0.017 0.000 0.942 298 K CB 0.201 32.699 32.500 -0.004 0.000 0.727 298 K HN 0.773 nan 8.250 nan 0.000 0.439 299 D N -1.606 118.754 120.400 -0.066 0.000 2.643 299 D HA 0.409 5.045 4.640 -0.007 0.000 0.283 299 D C -1.810 174.422 176.300 -0.113 0.000 1.242 299 D CA -0.588 53.364 54.000 -0.080 0.000 0.863 299 D CB 1.392 42.160 40.800 -0.053 0.000 1.382 299 D HN 0.063 nan 8.370 nan 0.000 0.444 300 L N 0.319 121.479 121.223 -0.105 0.000 2.386 300 L HA 0.930 5.266 4.340 -0.007 0.000 0.271 300 L C -0.024 176.799 176.870 -0.078 0.000 0.993 300 L CA -0.803 53.970 54.840 -0.112 0.000 0.819 300 L CB 1.831 43.815 42.059 -0.126 0.000 1.294 300 L HN 0.540 nan 8.230 nan 0.000 0.414 301 R N 1.957 122.418 120.500 -0.064 0.000 2.744 301 R HA 0.872 5.208 4.340 -0.007 0.000 0.279 301 R C -1.578 174.703 176.300 -0.033 0.000 0.977 301 R CA -0.520 55.554 56.100 -0.042 0.000 0.906 301 R CB 1.912 32.197 30.300 -0.024 0.000 1.197 301 R HN 0.339 nan 8.270 nan 0.000 0.463 302 V N 1.647 121.544 119.914 -0.028 0.000 2.495 302 V HA 0.626 4.742 4.120 -0.007 0.000 0.298 302 V C -0.793 175.344 176.094 0.072 0.000 1.031 302 V CA -0.821 61.476 62.300 -0.006 0.000 0.871 302 V CB 1.673 33.426 31.823 -0.117 0.000 0.988 302 V HN 0.947 nan 8.190 nan 0.000 0.432 303 E N 2.912 123.204 120.200 0.153 0.000 2.224 303 E HA 0.499 4.845 4.350 -0.007 0.000 0.265 303 E C -1.040 175.706 176.600 0.243 0.000 0.878 303 E CA -0.717 55.780 56.400 0.162 0.000 0.759 303 E CB 1.760 31.509 29.700 0.081 0.000 1.164 303 E HN 0.560 nan 8.360 nan 0.000 0.414 304 L N 5.744 127.089 121.223 0.204 0.000 2.562 304 L HA 0.103 4.439 4.340 -0.007 0.000 0.271 304 L C 0.028 176.839 176.870 -0.098 0.000 1.167 304 L CA 0.861 55.674 54.840 -0.044 0.000 0.917 304 L CB 0.057 42.087 42.059 -0.049 0.000 1.187 304 L HN 0.861 nan 8.230 nan 0.000 0.482 305 L N 4.603 125.721 121.223 -0.176 0.000 2.253 305 L HA 0.413 4.748 4.340 -0.007 0.000 0.205 305 L C 1.209 178.010 176.870 -0.115 0.000 1.078 305 L CA 0.575 55.353 54.840 -0.102 0.000 0.805 305 L CB -0.452 41.565 42.059 -0.070 0.000 0.963 305 L HN 0.883 nan 8.230 nan 0.000 0.459 306 G N -0.433 108.259 108.800 -0.179 0.000 2.356 306 G HA2 -0.006 3.949 3.960 -0.007 0.000 0.266 306 G HA3 -0.006 3.949 3.960 -0.007 0.000 0.266 306 G C -1.745 173.059 174.900 -0.160 0.000 1.312 306 G CA -0.688 44.329 45.100 -0.139 0.000 0.922 306 G HN -0.053 nan 8.290 nan 0.000 0.480 307 E N -0.100 120.036 120.200 -0.107 0.000 2.183 307 E HA 0.676 5.021 4.350 -0.007 0.000 0.271 307 E C -0.015 176.545 176.600 -0.066 0.000 0.919 307 E CA -0.186 56.160 56.400 -0.089 0.000 0.781 307 E CB 1.737 31.397 29.700 -0.067 0.000 1.140 307 E HN 0.846 nan 8.360 nan 0.000 0.402 308 T N -0.099 114.419 114.554 -0.060 0.000 2.864 308 T HA 0.441 4.787 4.350 -0.007 0.000 0.289 308 T C -0.040 174.638 174.700 -0.036 0.000 1.082 308 T CA -0.871 61.199 62.100 -0.050 0.000 1.009 308 T CB 1.266 70.099 68.868 -0.058 0.000 1.234 308 T HN 0.271 nan 8.240 nan 0.000 0.526 309 S N 0.435 116.111 115.700 -0.039 0.000 2.558 309 S HA 0.146 4.611 4.470 -0.007 0.000 0.287 309 S C 0.617 175.204 174.600 -0.022 0.000 1.321 309 S CA -0.444 57.740 58.200 -0.027 0.000 1.048 309 S CB -0.538 62.636 63.200 -0.043 0.000 0.844 309 S HN 0.570 nan 8.310 nan 0.000 0.512 310 I N 2.365 122.938 120.570 0.005 0.000 2.769 310 I HA 0.009 4.174 4.170 -0.007 0.000 0.285 310 I C 0.779 176.896 176.117 -0.000 0.000 1.173 310 I CA -0.036 61.273 61.300 0.015 0.000 1.389 310 I CB -0.393 37.641 38.000 0.057 0.000 1.404 310 I HN 0.585 nan 8.210 nan 0.000 0.544 311 A N 5.506 128.320 122.820 -0.010 0.000 2.328 311 A HA 0.255 4.570 4.320 -0.007 0.000 0.284 311 A C 0.980 178.563 177.584 -0.003 0.000 1.160 311 A CA -0.485 51.536 52.037 -0.026 0.000 0.818 311 A CB 0.892 19.873 19.000 -0.032 0.000 1.087 311 A HN 0.780 nan 8.150 nan 0.000 0.504 312 E N 1.081 121.277 120.200 -0.006 0.000 2.086 312 E HA -0.023 4.323 4.350 -0.007 0.000 0.190 312 E C 0.465 177.069 176.600 0.007 0.000 0.975 312 E CA 1.636 58.041 56.400 0.009 0.000 0.813 312 E CB -0.005 29.704 29.700 0.014 0.000 0.768 312 E HN 0.875 nan 8.360 nan 0.000 0.457 313 C N -1.345 117.956 119.300 0.002 0.000 3.154 313 C HA 0.828 5.284 4.460 -0.007 0.000 0.312 313 C C -0.723 174.272 174.990 0.007 0.000 1.349 313 C CA -1.469 57.556 59.018 0.013 0.000 1.518 313 C CB 0.628 28.395 27.740 0.046 0.000 1.934 313 C HN 0.213 nan 8.230 nan 0.000 0.462 314 L N 1.648 122.893 121.223 0.038 0.000 2.436 314 L HA 0.723 5.058 4.340 -0.007 0.000 0.268 314 L C -0.399 176.542 176.870 0.117 0.000 0.974 314 L CA -0.069 54.808 54.840 0.061 0.000 0.826 314 L CB 2.639 44.738 42.059 0.067 0.000 1.291 314 L HN 1.050 nan 8.230 nan 0.000 0.406 315 T N -1.277 113.378 114.554 0.167 0.000 2.965 315 T HA 0.290 4.636 4.350 -0.007 0.000 0.306 315 T C -0.725 174.085 174.700 0.183 0.000 0.991 315 T CA -0.605 61.599 62.100 0.173 0.000 1.001 315 T CB 0.697 69.652 68.868 0.145 0.000 0.984 315 T HN 0.308 nan 8.240 nan 0.000 0.446 316 Y N 4.017 124.357 120.300 0.065 0.000 2.805 316 Y HA 0.196 4.742 4.550 -0.007 0.000 0.331 316 Y C 0.429 176.354 175.900 0.042 0.000 1.241 316 Y CA -0.390 57.739 58.100 0.048 0.000 1.546 316 Y CB 0.174 38.650 38.460 0.026 0.000 1.248 316 Y HN 0.753 nan 8.280 nan 0.000 0.559 317 L N 4.005 124.893 121.223 -0.558 0.000 2.737 317 L HA 0.468 4.804 4.340 -0.007 0.000 0.182 317 L C 0.898 177.427 176.870 -0.570 0.000 1.361 317 L CA 0.667 55.270 54.840 -0.396 0.000 0.955 317 L CB -0.645 41.280 42.059 -0.223 0.000 1.267 317 L HN 0.688 nan 8.230 nan 0.000 0.572 321 V N 0.933 120.776 119.914 -0.117 0.000 2.439 321 V HA 0.643 4.759 4.120 -0.007 0.000 0.282 321 V C 0.138 176.154 176.094 -0.130 0.000 1.039 321 V CA -0.630 61.614 62.300 -0.094 0.000 0.913 321 V CB 1.710 33.477 31.823 -0.093 0.000 0.983 321 V HN 0.131 nan 8.190 nan 0.000 0.460 322 V N 5.031 124.955 119.914 0.017 0.000 2.540 322 V HA 0.412 4.527 4.120 -0.007 0.000 0.302 322 V C -0.577 175.581 176.094 0.106 0.000 1.035 322 V CA -0.637 61.709 62.300 0.076 0.000 0.873 322 V CB 1.745 33.643 31.823 0.124 0.000 0.992 322 V HN 0.710 nan 8.190 nan 0.000 0.428 323 F N 5.499 125.441 119.950 -0.013 0.000 2.424 323 F HA 0.561 5.084 4.527 -0.007 0.000 0.356 323 F C 0.007 175.818 175.800 0.018 0.000 1.110 323 F CA -0.372 57.624 58.000 -0.007 0.000 1.161 323 F CB 1.114 40.075 39.000 -0.065 0.000 1.115 323 F HN 0.268 nan 8.300 nan 0.000 0.507 324 V N 6.722 126.219 119.914 -0.694 0.000 2.318 324 V HA 0.400 4.516 4.120 -0.007 0.000 0.271 324 V C 0.659 176.194 176.094 -0.931 0.000 1.030 324 V CA -0.576 61.384 62.300 -0.566 0.000 0.844 324 V CB 0.612 32.268 31.823 -0.279 0.000 1.015 324 V HN 0.963 nan 8.190 nan 0.000 0.460 325 G N 2.974 111.379 108.800 -0.659 0.000 2.333 325 G HA2 0.457 4.412 3.960 -0.007 0.000 0.290 325 G HA3 0.457 4.412 3.960 -0.007 0.000 0.290 325 G C -0.172 174.646 174.900 -0.137 0.000 1.150 325 G CA -0.127 44.767 45.100 -0.344 0.000 0.895 325 G HN 0.639 nan 8.290 nan 0.000 0.444 326 S N 1.597 117.245 115.700 -0.086 0.000 2.532 326 S HA 0.486 4.952 4.470 -0.007 0.000 0.301 326 S C 1.067 175.668 174.600 0.003 0.000 1.083 326 S CA -0.849 57.329 58.200 -0.036 0.000 1.025 326 S CB 1.810 64.985 63.200 -0.042 0.000 1.056 326 S HN 0.601 nan 8.310 nan 0.000 0.494 327 R N 2.253 122.758 120.500 0.008 0.000 2.195 327 R HA 0.370 4.706 4.340 -0.007 0.000 0.197 327 R C 1.130 177.433 176.300 0.005 0.000 0.990 327 R CA 0.410 56.516 56.100 0.011 0.000 1.048 327 R CB 0.004 30.313 30.300 0.016 0.000 0.997 327 R HN 0.627 nan 8.270 nan 0.000 0.502 328 L N -1.028 120.203 121.223 0.013 0.000 2.609 328 L HA 0.323 4.658 4.340 -0.007 0.000 0.230 328 L C 0.950 177.814 176.870 -0.010 0.000 1.087 328 L CA -0.033 54.812 54.840 0.008 0.000 0.874 328 L CB 1.125 43.226 42.059 0.070 0.000 1.114 328 L HN 0.124 nan 8.230 nan 0.000 0.488 329 G N -1.562 107.235 108.800 -0.006 0.000 2.870 329 G HA2 0.280 4.236 3.960 -0.007 0.000 0.299 329 G HA3 0.280 4.236 3.960 -0.007 0.000 0.299 329 G C -1.640 173.251 174.900 -0.015 0.000 1.324 329 G CA -0.492 44.596 45.100 -0.021 0.000 0.808 329 G HN -0.224 nan 8.290 nan 0.000 0.535 330 D N 0.634 121.022 120.400 -0.020 0.000 2.414 330 D HA 0.421 5.056 4.640 -0.007 0.000 0.242 330 D C 0.681 176.985 176.300 0.006 0.000 1.129 330 D CA 0.430 54.430 54.000 0.001 0.000 0.885 330 D CB 1.343 42.128 40.800 -0.025 0.000 1.198 330 D HN 0.144 nan 8.370 nan 0.000 0.437 331 S N 1.257 116.998 115.700 0.069 0.000 2.624 331 S HA 0.382 4.848 4.470 -0.007 0.000 0.263 331 S C 0.124 174.809 174.600 0.142 0.000 1.287 331 S CA -0.582 57.643 58.200 0.041 0.000 0.990 331 S CB 0.893 64.141 63.200 0.080 0.000 0.950 331 S HN 0.328 nan 8.310 nan 0.000 0.561 332 Q N 0.157 119.973 119.800 0.026 0.000 2.482 332 Q HA 0.474 4.810 4.340 -0.007 0.000 0.286 332 Q C -1.602 174.489 176.000 0.153 0.000 1.007 332 Q CA -0.610 55.220 55.803 0.045 0.000 0.801 332 Q CB 1.690 30.386 28.738 -0.072 0.000 1.455 332 Q HN 0.452 nan 8.270 nan 0.000 0.398 333 L N 1.988 123.340 121.223 0.215 0.000 2.289 333 L HA 0.679 5.014 4.340 -0.007 0.000 0.285 333 L C -0.401 176.492 176.870 0.038 0.000 1.049 333 L CA -0.966 53.975 54.840 0.168 0.000 0.804 333 L CB 1.374 43.553 42.059 0.199 0.000 1.195 333 L HN 0.462 nan 8.230 nan 0.000 0.428 334 V N -0.444 119.486 119.914 0.027 0.000 2.769 334 V HA 0.828 4.943 4.120 -0.007 0.000 0.312 334 V C -0.179 175.927 176.094 0.020 0.000 1.061 334 V CA -0.894 61.410 62.300 0.007 0.000 0.931 334 V CB 1.386 33.206 31.823 -0.006 0.000 1.010 334 V HN 0.722 nan 8.190 nan 0.000 0.433 335 K N 3.803 124.211 120.400 0.014 0.000 2.183 335 K HA 0.805 5.120 4.320 -0.007 0.000 0.274 335 K C -0.680 175.939 176.600 0.032 0.000 1.009 335 K CA -0.642 55.660 56.287 0.024 0.000 0.888 335 K CB 1.087 33.596 32.500 0.015 0.000 1.078 335 K HN 0.872 nan 8.250 nan 0.000 0.459 336 L N 3.667 124.925 121.223 0.059 0.000 2.257 336 L HA 0.319 4.655 4.340 -0.007 0.000 0.290 336 L C -0.056 176.843 176.870 0.048 0.000 1.044 336 L CA -1.184 53.690 54.840 0.056 0.000 0.810 336 L CB 0.999 43.111 42.059 0.088 0.000 1.193 336 L HN 0.710 nan 8.230 nan 0.000 0.425 337 N N 1.350 120.067 118.700 0.028 0.000 2.364 337 N HA 0.438 5.173 4.740 -0.007 0.000 0.264 337 N C -0.051 175.471 175.510 0.020 0.000 1.263 337 N CA -0.450 52.613 53.050 0.022 0.000 0.959 337 N CB 1.282 39.776 38.487 0.012 0.000 1.204 337 N HN 0.371 nan 8.380 nan 0.000 0.550 347 V N 1.694 121.593 119.914 -0.025 0.000 2.513 347 V HA 0.776 4.892 4.120 -0.007 0.000 0.299 347 V C -0.365 175.717 176.094 -0.020 0.000 1.035 347 V CA -1.127 61.161 62.300 -0.020 0.000 0.889 347 V CB 1.485 33.287 31.823 -0.034 0.000 0.988 347 V HN 0.382 nan 8.190 nan 0.000 0.440 348 V N 3.717 123.623 119.914 -0.013 0.000 2.482 348 V HA 0.635 4.750 4.120 -0.007 0.000 0.295 348 V C 0.269 176.352 176.094 -0.019 0.000 1.026 348 V CA -0.738 61.553 62.300 -0.015 0.000 0.856 348 V CB 1.784 33.601 31.823 -0.010 0.000 1.001 348 V HN 0.986 nan 8.190 nan 0.000 0.424 349 A N 5.389 128.192 122.820 -0.029 0.000 2.409 349 A HA 0.592 4.908 4.320 -0.007 0.000 0.267 349 A C 0.755 178.312 177.584 -0.046 0.000 1.127 349 A CA -0.085 51.928 52.037 -0.040 0.000 0.795 349 A CB 0.416 19.385 19.000 -0.052 0.000 1.061 349 A HN 0.912 nan 8.150 nan 0.000 0.502 350 M N 0.774 120.346 119.600 -0.046 0.000 2.447 350 M HA 0.165 4.641 4.480 -0.007 0.000 0.266 350 M C 0.510 176.751 176.300 -0.097 0.000 1.120 350 M CA 1.235 56.507 55.300 -0.048 0.000 1.166 350 M CB 0.350 32.940 32.600 -0.017 0.000 1.349 350 M HN 0.752 nan 8.290 nan 0.000 0.463 351 E N -0.682 119.421 120.200 -0.161 0.000 2.352 351 E HA 0.306 4.652 4.350 -0.007 0.000 0.280 351 E C -1.450 174.831 176.600 -0.532 0.000 0.930 351 E CA -0.281 55.904 56.400 -0.359 0.000 0.765 351 E CB 2.728 32.181 29.700 -0.413 0.000 1.219 351 E HN -0.092 nan 8.360 nan 0.000 0.434 352 T N 2.149 116.330 114.554 -0.620 0.000 2.856 352 T HA 0.587 4.932 4.350 -0.007 0.000 0.283 352 T C -1.006 173.244 174.700 -0.749 0.000 1.008 352 T CA -0.443 61.351 62.100 -0.511 0.000 0.997 352 T CB 0.389 69.109 68.868 -0.248 0.000 0.992 352 T HN 0.202 nan 8.240 nan 0.000 0.454 353 F N 1.116 121.065 119.950 -0.002 0.000 2.507 353 F HA 0.333 4.855 4.527 -0.008 0.000 0.328 353 F C 0.968 176.769 175.800 0.001 0.000 1.136 353 F CA -1.062 56.949 58.000 0.018 0.000 0.930 353 F CB 1.384 40.426 39.000 0.070 0.000 1.166 353 F HN 0.346 nan 8.300 nan 0.000 0.436 354 T N 2.652 117.289 114.554 0.139 0.000 2.831 354 T HA -0.021 4.324 4.350 -0.007 0.000 0.291 354 T C -0.163 174.575 174.700 0.063 0.000 0.981 354 T CA 0.389 62.522 62.100 0.054 0.000 1.174 354 T CB -0.273 68.604 68.868 0.015 0.000 0.929 354 T HN 0.465 nan 8.240 nan 0.000 0.532 355 N N 3.398 122.114 118.700 0.027 0.000 2.399 355 N HA 0.267 5.002 4.740 -0.007 0.000 0.280 355 N C 0.527 176.025 175.510 -0.019 0.000 1.008 355 N CA -0.718 52.342 53.050 0.016 0.000 0.894 355 N CB 0.847 39.348 38.487 0.023 0.000 1.273 355 N HN 0.434 nan 8.380 nan 0.000 0.486 356 L N 1.220 122.430 121.223 -0.022 0.000 2.492 356 L HA 0.315 4.650 4.340 -0.007 0.000 0.223 356 L C 1.369 178.215 176.870 -0.041 0.000 1.132 356 L CA 0.018 54.832 54.840 -0.043 0.000 0.850 356 L CB -0.314 41.720 42.059 -0.042 0.000 0.966 356 L HN 0.532 nan 8.230 nan 0.000 0.454 357 G N 0.577 109.362 108.800 -0.026 0.000 2.476 357 G HA2 0.400 4.355 3.960 -0.007 0.000 0.286 357 G HA3 0.400 4.355 3.960 -0.007 0.000 0.286 357 G C -2.580 172.296 174.900 -0.039 0.000 1.177 357 G CA -0.973 44.113 45.100 -0.024 0.000 0.870 357 G HN -0.155 nan 8.290 nan 0.000 0.528 358 P HA 0.209 nan 4.420 nan 0.000 0.275 358 P C -0.336 176.941 177.300 -0.037 0.000 1.227 358 P CA -0.177 62.902 63.100 -0.035 0.000 0.781 358 P CB 1.424 33.094 31.700 -0.050 0.000 0.906 359 I N 3.178 123.738 120.570 -0.016 0.000 2.322 359 I HA 0.021 4.187 4.170 -0.007 0.000 0.292 359 I C 1.616 177.730 176.117 -0.005 0.000 1.060 359 I CA -0.103 61.184 61.300 -0.021 0.000 1.309 359 I CB 0.957 38.947 38.000 -0.016 0.000 1.415 359 I HN 0.122 nan 8.210 nan 0.000 0.492 360 V N 4.601 124.505 119.914 -0.016 0.000 3.125 360 V HA 0.116 4.231 4.120 -0.007 0.000 0.249 360 V C 0.141 176.248 176.094 0.023 0.000 1.113 360 V CA 1.049 63.352 62.300 0.004 0.000 1.106 360 V CB -0.090 31.721 31.823 -0.021 0.000 0.768 360 V HN 0.823 nan 8.190 nan 0.000 0.468 361 D N -1.116 119.290 120.400 0.010 0.000 2.694 361 D HA 0.519 5.154 4.640 -0.007 0.000 0.260 361 D C -1.046 175.261 176.300 0.012 0.000 1.250 361 D CA -0.438 53.579 54.000 0.029 0.000 0.763 361 D CB 1.566 42.396 40.800 0.050 0.000 1.311 361 D HN 0.106 nan 8.370 nan 0.000 0.420 362 M N -0.203 119.416 119.600 0.031 0.000 2.732 362 M HA 0.667 5.143 4.480 -0.007 0.000 0.272 362 M C -1.608 174.731 176.300 0.064 0.000 1.203 362 M CA -0.840 54.472 55.300 0.020 0.000 0.841 362 M CB 1.738 34.337 32.600 -0.001 0.000 1.685 362 M HN 0.695 nan 8.290 nan 0.000 0.492 363 C N -0.018 119.324 119.300 0.070 0.000 3.171 363 C HA 0.947 5.403 4.460 -0.007 0.000 0.308 363 C C -0.588 174.455 174.990 0.088 0.000 1.334 363 C CA -0.782 58.305 59.018 0.114 0.000 1.473 363 C CB 1.447 29.303 27.740 0.195 0.000 1.866 363 C HN 0.814 nan 8.230 nan 0.000 0.465 364 V N 1.843 121.811 119.914 0.090 0.000 2.427 364 V HA 0.735 4.850 4.120 -0.007 0.000 0.286 364 V C -0.092 176.025 176.094 0.039 0.000 1.034 364 V CA -0.205 62.131 62.300 0.060 0.000 0.893 364 V CB 1.075 32.934 31.823 0.059 0.000 0.982 364 V HN 0.854 nan 8.190 nan 0.000 0.452 365 V N 2.898 122.808 119.914 -0.005 0.000 2.789 365 V HA 0.437 4.552 4.120 -0.007 0.000 0.311 365 V C -0.415 175.631 176.094 -0.080 0.000 1.073 365 V CA -0.828 61.395 62.300 -0.129 0.000 0.921 365 V CB 2.206 33.846 31.823 -0.306 0.000 1.009 365 V HN 0.843 nan 8.190 nan 0.000 0.426 373 G N 0.784 109.593 108.800 0.016 0.000 3.224 373 G HA2 0.368 4.324 3.960 -0.007 0.000 0.684 373 G HA3 0.368 4.324 3.960 -0.007 0.000 0.684 373 G C -0.659 174.256 174.900 0.025 0.000 1.180 373 G CA 0.277 45.388 45.100 0.019 0.000 1.099 373 G HN 0.812 nan 8.290 nan 0.000 0.476 374 Q N -0.024 119.791 119.800 0.025 0.000 2.372 374 Q HA 0.721 5.056 4.340 -0.007 0.000 0.273 374 Q C -0.937 175.078 176.000 0.025 0.000 1.078 374 Q CA -1.136 54.687 55.803 0.033 0.000 0.806 374 Q CB 2.330 31.100 28.738 0.053 0.000 1.332 374 Q HN 0.674 nan 8.270 nan 0.000 0.435 375 L N 3.401 124.630 121.223 0.009 0.000 2.282 375 L HA 0.509 4.845 4.340 -0.007 0.000 0.288 375 L C -1.438 175.404 176.870 -0.046 0.000 1.033 375 L CA -0.388 54.447 54.840 -0.007 0.000 0.807 375 L CB 1.680 43.730 42.059 -0.015 0.000 1.209 375 L HN 0.436 nan 8.230 nan 0.000 0.423 376 V N 3.785 123.661 119.914 -0.062 0.000 2.334 376 V HA 0.482 4.598 4.120 -0.007 0.000 0.281 376 V C 0.264 176.272 176.094 -0.143 0.000 1.016 376 V CA -0.525 61.676 62.300 -0.164 0.000 0.832 376 V CB 1.289 32.911 31.823 -0.334 0.000 0.999 376 V HN 0.868 nan 8.190 nan 0.000 0.439 377 T N 1.219 115.684 114.554 -0.149 0.000 2.867 377 T HA 0.376 4.721 4.350 -0.007 0.000 0.282 377 T C -0.088 174.536 174.700 -0.128 0.000 1.000 377 T CA -0.582 61.452 62.100 -0.111 0.000 1.042 377 T CB 1.101 69.913 68.868 -0.092 0.000 0.973 377 T HN 0.562 nan 8.240 nan 0.000 0.465 378 C N 3.659 122.905 119.300 -0.089 0.000 2.540 378 C HA 0.616 5.072 4.460 -0.007 0.000 0.377 378 C C 0.829 175.765 174.990 -0.089 0.000 1.274 378 C CA -0.284 58.681 59.018 -0.088 0.000 1.718 378 C CB -1.485 26.222 27.740 -0.055 0.000 2.391 378 C HN 0.947 nan 8.230 nan 0.000 0.565 379 S N 1.625 117.259 115.700 -0.111 0.000 2.542 379 S HA 0.875 5.341 4.470 -0.007 0.000 0.293 379 S C 0.267 174.796 174.600 -0.119 0.000 1.089 379 S CA 0.605 58.742 58.200 -0.106 0.000 0.961 379 S CB 1.758 64.892 63.200 -0.110 0.000 1.062 379 S HN 1.483 nan 8.310 nan 0.000 0.483 380 G N 1.365 110.100 108.800 -0.108 0.000 2.741 380 G HA2 0.345 4.301 3.960 -0.007 0.000 0.222 380 G HA3 0.345 4.301 3.960 -0.007 0.000 0.222 380 G C -0.427 174.370 174.900 -0.172 0.000 1.364 380 G CA -0.239 44.793 45.100 -0.113 0.000 0.866 380 G HN 1.543 nan 8.290 nan 0.000 0.555 381 A N -1.634 121.069 122.820 -0.194 0.000 2.587 381 A HA 1.083 5.399 4.320 -0.007 0.000 0.293 381 A C 0.140 177.570 177.584 -0.257 0.000 1.087 381 A CA 0.597 52.382 52.037 -0.421 0.000 0.692 381 A CB 0.779 19.297 19.000 -0.804 0.000 1.291 381 A HN 2.357 nan 8.150 nan 0.000 0.407 382 F N -0.610 119.322 119.950 -0.031 0.000 2.183 382 F HA -0.361 4.163 4.527 -0.004 0.000 0.318 382 F C 2.091 177.888 175.800 -0.006 0.000 0.140 382 F CA 1.672 59.661 58.000 -0.019 0.000 0.912 382 F CB -1.013 37.982 39.000 -0.009 0.000 4.135 382 F HN 0.868 nan 8.300 nan 0.000 0.137 383 K N 0.736 121.279 120.400 0.239 0.000 2.360 383 K HA -0.135 4.180 4.320 -0.007 0.000 0.201 383 K C 0.847 177.512 176.600 0.107 0.000 1.046 383 K CA 2.083 58.474 56.287 0.174 0.000 0.940 383 K CB -0.294 32.300 32.500 0.156 0.000 0.748 383 K HN 0.551 nan 8.250 nan 0.000 0.465 384 E N 1.154 121.388 120.200 0.057 0.000 2.479 384 E HA 0.059 4.404 4.350 -0.007 0.000 0.193 384 E C 0.712 177.251 176.600 -0.102 0.000 1.049 384 E CA 0.354 56.739 56.400 -0.024 0.000 0.870 384 E CB 0.285 29.983 29.700 -0.003 0.000 0.944 384 E HN 0.461 nan 8.360 nan 0.000 0.492 385 G N 1.792 110.527 108.800 -0.108 0.000 2.414 385 G HA2 0.225 4.181 3.960 -0.007 0.000 0.236 385 G HA3 0.225 4.181 3.960 -0.007 0.000 0.236 385 G C 0.132 174.915 174.900 -0.194 0.000 1.293 385 G CA 0.372 45.382 45.100 -0.149 0.000 0.869 385 G HN 0.170 nan 8.290 nan 0.000 0.556 386 S N 0.801 116.393 115.700 -0.180 0.000 2.615 386 S HA 0.634 5.100 4.470 -0.007 0.000 0.269 386 S C -0.935 173.554 174.600 -0.184 0.000 1.161 386 S CA -1.073 57.006 58.200 -0.202 0.000 0.817 386 S CB 1.248 64.321 63.200 -0.212 0.000 1.131 386 S HN 0.572 nan 8.310 nan 0.000 0.467 387 L N 1.435 122.531 121.223 -0.211 0.000 2.309 387 L HA 0.670 5.006 4.340 -0.007 0.000 0.282 387 L C -0.053 176.650 176.870 -0.278 0.000 1.036 387 L CA -0.923 53.770 54.840 -0.245 0.000 0.806 387 L CB 1.125 43.010 42.059 -0.290 0.000 1.220 387 L HN 0.542 nan 8.230 nan 0.000 0.429 388 R N 3.503 123.851 120.500 -0.253 0.000 2.494 388 R HA 0.582 4.917 4.340 -0.007 0.000 0.305 388 R C -1.110 175.039 176.300 -0.252 0.000 0.959 388 R CA -0.850 55.105 56.100 -0.242 0.000 0.864 388 R CB 2.053 32.249 30.300 -0.173 0.000 1.159 388 R HN 0.401 nan 8.270 nan 0.000 0.446 389 I N 4.245 124.652 120.570 -0.272 0.000 2.330 389 I HA 0.413 4.579 4.170 -0.007 0.000 0.289 389 I C 0.060 176.112 176.117 -0.109 0.000 1.001 389 I CA -0.153 61.027 61.300 -0.201 0.000 1.193 389 I CB 1.118 38.970 38.000 -0.248 0.000 1.345 389 I HN 0.399 nan 8.210 nan 0.000 0.461 390 I N 6.085 126.620 120.570 -0.058 0.000 2.436 390 I HA 0.814 4.980 4.170 -0.007 0.000 0.289 390 I C 0.222 176.353 176.117 0.024 0.000 1.010 390 I CA -0.423 60.860 61.300 -0.028 0.000 1.098 390 I CB 1.472 39.448 38.000 -0.041 0.000 1.266 390 I HN 0.665 nan 8.210 nan 0.000 0.434 391 R N 2.899 123.439 120.500 0.067 0.000 2.673 391 R HA 0.800 5.135 4.340 -0.007 0.000 0.281 391 R C -0.554 175.792 176.300 0.076 0.000 0.991 391 R CA -0.181 55.966 56.100 0.078 0.000 0.896 391 R CB 0.341 30.706 30.300 0.108 0.000 1.201 391 R HN 0.804 nan 8.270 nan 0.000 0.457 392 N N -0.129 118.601 118.700 0.050 0.000 2.508 392 N HA 0.687 5.423 4.740 -0.007 0.000 0.264 392 N C 0.972 176.501 175.510 0.032 0.000 1.216 392 N CA 0.702 53.778 53.050 0.043 0.000 0.943 392 N CB 1.010 39.514 38.487 0.027 0.000 1.113 392 N HN 2.345 nan 8.380 nan 0.000 0.447 393 G N -0.891 107.927 108.800 0.030 0.000 2.746 393 G HA2 0.009 3.964 3.960 -0.007 0.000 0.685 393 G HA3 0.009 3.964 3.960 -0.007 0.000 0.685 393 G C -0.654 174.245 174.900 -0.002 0.000 1.350 393 G CA -0.192 44.913 45.100 0.008 0.000 0.837 393 G HN 1.089 nan 8.290 nan 0.000 0.564 394 I N 1.524 122.079 120.570 -0.025 0.000 2.359 394 I HA 0.583 4.749 4.170 -0.007 0.000 0.294 394 I C 1.200 177.285 176.117 -0.054 0.000 0.987 394 I CA -0.026 61.251 61.300 -0.038 0.000 1.225 394 I CB 1.699 39.676 38.000 -0.039 0.000 1.366 394 I HN 0.836 nan 8.210 nan 0.000 0.466 395 G N 6.703 115.450 108.800 -0.089 0.000 2.412 395 G HA2 0.654 4.610 3.960 -0.007 0.000 0.318 395 G HA3 0.654 4.610 3.960 -0.007 0.000 0.318 395 G C -0.616 174.237 174.900 -0.079 0.000 1.146 395 G CA -0.450 44.589 45.100 -0.101 0.000 0.882 395 G HN 0.362 nan 8.290 nan 0.000 0.501 396 I N 1.114 121.637 120.570 -0.078 0.000 2.389 396 I HA 0.282 4.448 4.170 -0.007 0.000 0.288 396 I C 0.516 176.551 176.117 -0.135 0.000 0.999 396 I CA -0.706 60.537 61.300 -0.095 0.000 1.129 396 I CB 0.765 38.717 38.000 -0.080 0.000 1.288 396 I HN 0.795 nan 8.210 nan 0.000 0.444 397 H N 4.529 123.489 119.070 -0.184 0.000 2.882 397 H HA 0.309 4.860 4.556 -0.007 0.000 0.258 397 H C 0.348 175.331 175.328 -0.574 0.000 1.579 397 H CA -0.678 55.205 56.048 -0.275 0.000 1.340 397 H CB 0.011 29.661 29.762 -0.188 0.000 1.645 397 H HN 0.698 nan 8.280 nan 0.000 0.541 398 E N 1.735 121.722 120.200 -0.354 0.000 2.415 398 E HA -0.013 4.332 4.350 -0.007 0.000 0.260 398 E C -0.278 176.154 176.600 -0.279 0.000 1.016 398 E CA -0.222 56.001 56.400 -0.295 0.000 0.924 398 E CB 0.195 29.813 29.700 -0.137 0.000 0.961 398 E HN 0.839 nan 8.360 nan 0.000 0.459 399 H N 2.796 121.853 119.070 -0.021 0.000 2.652 399 H HA 0.404 4.956 4.556 -0.008 0.000 0.274 399 H C -0.346 174.974 175.328 -0.014 0.000 1.021 399 H CA 0.565 56.604 56.048 -0.015 0.000 1.187 399 H CB 1.101 30.854 29.762 -0.015 0.000 1.505 399 H HN 0.493 nan 8.280 nan 0.000 0.530 400 A N 0.152 123.012 122.820 0.067 0.000 2.583 400 A HA 0.481 4.796 4.320 -0.007 0.000 0.298 400 A C -1.033 176.556 177.584 0.009 0.000 1.055 400 A CA -0.368 51.692 52.037 0.038 0.000 0.714 400 A CB 1.418 20.442 19.000 0.040 0.000 1.277 400 A HN 0.041 nan 8.150 nan 0.000 0.406 401 S N 1.271 116.976 115.700 0.009 0.000 2.619 401 S HA 0.779 5.244 4.470 -0.007 0.000 0.280 401 S C -1.322 173.285 174.600 0.011 0.000 1.150 401 S CA -0.378 57.824 58.200 0.003 0.000 0.978 401 S CB 0.416 63.616 63.200 -0.001 0.000 1.041 401 S HN 0.721 nan 8.310 nan 0.000 0.485 402 I N 3.200 123.778 120.570 0.014 0.000 2.499 402 I HA 0.326 4.491 4.170 -0.007 0.000 0.288 402 I C -0.893 175.243 176.117 0.033 0.000 1.048 402 I CA -0.706 60.609 61.300 0.024 0.000 1.062 402 I CB 2.051 40.069 38.000 0.030 0.000 1.238 402 I HN 0.486 nan 8.210 nan 0.000 0.426 403 D N 7.445 127.865 120.400 0.033 0.000 2.429 403 D HA 0.254 4.890 4.640 -0.007 0.000 0.253 403 D C -0.534 175.800 176.300 0.058 0.000 1.294 403 D CA 0.734 54.757 54.000 0.038 0.000 1.063 403 D CB 0.280 41.096 40.800 0.028 0.000 1.096 403 D HN 0.296 nan 8.370 nan 0.000 0.516 404 L N 4.394 125.666 121.223 0.082 0.000 2.529 404 L HA 0.289 4.625 4.340 -0.007 0.000 0.258 404 L C -2.458 174.521 176.870 0.181 0.000 1.032 404 L CA -1.707 53.219 54.840 0.143 0.000 0.899 404 L CB 2.395 44.568 42.059 0.190 0.000 1.174 404 L HN 0.015 nan 8.230 nan 0.000 0.458 405 P HA 0.287 nan 4.420 nan 0.000 0.276 405 P C 0.716 178.179 177.300 0.272 0.000 1.252 405 P CA 0.207 63.407 63.100 0.165 0.000 0.802 405 P CB 0.960 32.727 31.700 0.112 0.000 1.035 406 G N 0.297 109.222 108.800 0.208 0.000 2.153 406 G HA2 -0.256 3.699 3.960 -0.007 0.000 0.252 406 G HA3 -0.256 3.699 3.960 -0.007 0.000 0.252 406 G C 0.117 175.108 174.900 0.152 0.000 0.994 406 G CA -0.292 44.951 45.100 0.237 0.000 0.698 406 G HN 0.477 nan 8.290 nan 0.000 0.521 407 I N 0.255 120.813 120.570 -0.019 0.000 2.598 407 I HA 0.402 4.567 4.170 -0.007 0.000 0.284 407 I C 1.393 177.343 176.117 -0.278 0.000 1.140 407 I CA 1.116 62.176 61.300 -0.399 0.000 1.420 407 I CB 0.793 38.600 38.000 -0.322 0.000 1.387 407 I HN 0.241 nan 8.210 nan 0.000 0.553 408 K N 4.854 124.950 120.400 -0.506 0.000 2.413 408 K HA 0.578 4.893 4.320 -0.007 0.000 0.204 408 K C 0.288 176.191 176.600 -1.163 0.000 1.041 408 K CA 0.387 56.325 56.287 -0.580 0.000 1.082 408 K CB 0.876 33.287 32.500 -0.149 0.000 0.871 408 K HN 0.984 nan 8.250 nan 0.000 0.535 409 G N -0.446 107.671 108.800 -1.138 0.000 2.355 409 G HA2 0.499 4.454 3.960 -0.007 0.000 0.296 409 G HA3 0.499 4.454 3.960 -0.007 0.000 0.296 409 G C -2.431 171.795 174.900 -1.123 0.000 1.507 409 G CA -0.468 43.942 45.100 -1.150 0.000 0.823 409 G HN 0.475 nan 8.290 nan 0.000 0.569 410 L N 0.167 120.435 121.223 -1.592 0.000 2.543 410 L HA 0.831 5.166 4.340 -0.007 0.000 0.265 410 L C -1.508 174.650 176.870 -1.186 0.000 0.945 410 L CA -0.427 53.809 54.840 -1.007 0.000 0.869 410 L CB 1.707 43.452 42.059 -0.523 0.000 1.294 410 L HN 0.686 nan 8.230 nan 0.000 0.405 411 W N 5.095 126.337 121.300 -0.096 0.000 2.998 411 W HA 0.489 5.144 4.660 -0.007 0.000 0.335 411 W C -2.658 173.813 176.519 -0.079 0.000 1.110 411 W CA -1.345 55.930 57.345 -0.117 0.000 1.230 411 W CB 2.186 31.513 29.460 -0.221 0.000 1.405 411 W HN 0.216 nan 8.180 nan 0.000 0.493 412 P HA 0.606 nan 4.420 nan 0.000 0.285 412 P C -1.318 176.027 177.300 0.075 0.000 1.269 412 P CA -0.492 62.652 63.100 0.073 0.000 0.844 412 P CB 2.720 34.447 31.700 0.045 0.000 1.094 413 L N 1.042 122.293 121.223 0.047 0.000 2.549 413 L HA 0.443 4.778 4.340 -0.007 0.000 0.259 413 L C -0.529 176.348 176.870 0.011 0.000 0.934 413 L CA -0.717 54.141 54.840 0.031 0.000 0.865 413 L CB 2.207 44.275 42.059 0.015 0.000 1.352 413 L HN 0.407 nan 8.230 nan 0.000 0.410 414 R N 2.737 123.243 120.500 0.011 0.000 2.215 414 R HA 0.712 5.047 4.340 -0.007 0.000 0.337 414 R C 0.248 176.539 176.300 -0.015 0.000 1.010 414 R CA 0.607 56.709 56.100 0.002 0.000 0.871 414 R CB 1.272 31.581 30.300 0.015 0.000 1.134 414 R HN 0.882 nan 8.270 nan 0.000 0.477 415 S N 3.137 118.818 115.700 -0.032 0.000 2.470 415 S HA -0.043 4.422 4.470 -0.007 0.000 0.225 415 S C 0.590 175.172 174.600 -0.030 0.000 1.006 415 S CA 0.510 58.679 58.200 -0.051 0.000 0.934 415 S CB 0.159 63.316 63.200 -0.071 0.000 0.778 415 S HN 0.712 nan 8.310 nan 0.000 0.517 416 D N 1.970 122.360 120.400 -0.016 0.000 2.329 416 D HA 0.422 5.058 4.640 -0.007 0.000 0.232 416 D C -2.483 173.818 176.300 0.001 0.000 1.088 416 D CA -2.014 51.981 54.000 -0.008 0.000 0.835 416 D CB 1.874 42.671 40.800 -0.006 0.000 1.078 416 D HN 0.104 nan 8.370 nan 0.000 0.495 421 T N -0.171 114.392 114.554 0.014 0.000 2.913 421 T HA 0.353 4.698 4.350 -0.007 0.000 0.287 421 T C 0.056 174.764 174.700 0.014 0.000 1.008 421 T CA -0.820 61.289 62.100 0.015 0.000 1.067 421 T CB 1.302 70.177 68.868 0.011 0.000 0.996 421 T HN -0.154 nan 8.240 nan 0.000 0.513 422 D N 2.180 122.591 120.400 0.018 0.000 2.424 422 D HA 0.181 4.817 4.640 -0.007 0.000 0.244 422 D C 0.607 176.911 176.300 0.008 0.000 1.134 422 D CA -0.059 53.951 54.000 0.016 0.000 0.881 422 D CB 0.954 41.767 40.800 0.021 0.000 1.191 422 D HN 0.847 nan 8.370 nan 0.000 0.445 423 D N -1.306 119.095 120.400 0.001 0.000 2.520 423 D HA 0.014 4.650 4.640 -0.007 0.000 0.223 423 D C -0.347 175.948 176.300 -0.008 0.000 1.186 423 D CA -0.100 53.898 54.000 -0.004 0.000 0.821 423 D CB 0.254 41.049 40.800 -0.010 0.000 1.072 423 D HN 0.145 nan 8.370 nan 0.000 0.518 424 T N 0.554 115.104 114.554 -0.006 0.000 2.912 424 T HA 0.550 4.895 4.350 -0.007 0.000 0.299 424 T C -1.324 173.385 174.700 0.015 0.000 1.052 424 T CA -0.667 61.429 62.100 -0.007 0.000 0.996 424 T CB 2.336 71.183 68.868 -0.035 0.000 1.070 424 T HN 0.006 nan 8.240 nan 0.000 0.465 425 L N 3.277 124.516 121.223 0.026 0.000 2.343 425 L HA 0.653 4.988 4.340 -0.007 0.000 0.278 425 L C -0.956 175.964 176.870 0.083 0.000 0.996 425 L CA -0.581 54.286 54.840 0.045 0.000 0.831 425 L CB 1.417 43.489 42.059 0.022 0.000 1.232 425 L HN 0.529 nan 8.230 nan 0.000 0.413 426 V N 5.992 125.997 119.914 0.151 0.000 2.439 426 V HA 0.485 4.601 4.120 -0.007 0.000 0.282 426 V C -0.235 176.028 176.094 0.283 0.000 1.039 426 V CA -0.483 61.957 62.300 0.233 0.000 0.913 426 V CB 1.476 33.474 31.823 0.293 0.000 0.983 426 V HN 0.502 nan 8.190 nan 0.000 0.460 427 L N 3.593 124.950 121.223 0.222 0.000 2.354 427 L HA 0.617 4.953 4.340 -0.007 0.000 0.269 427 L C 0.052 176.974 176.870 0.086 0.000 1.005 427 L CA 0.292 55.172 54.840 0.066 0.000 0.819 427 L CB 2.182 44.216 42.059 -0.040 0.000 1.311 427 L HN 0.664 nan 8.230 nan 0.000 0.423 428 S N 1.030 116.656 115.700 -0.123 0.000 2.593 428 S HA 0.877 5.342 4.470 -0.007 0.000 0.297 428 S C -1.098 173.172 174.600 -0.549 0.000 1.112 428 S CA -0.231 57.937 58.200 -0.054 0.000 1.043 428 S CB 0.537 63.861 63.200 0.207 0.000 1.054 428 S HN 0.286 nan 8.310 nan 0.000 0.516 429 F N 0.776 120.777 119.950 0.084 0.000 2.692 429 F HA 0.464 4.986 4.527 -0.007 0.000 0.320 429 F C -0.259 175.589 175.800 0.081 0.000 1.123 429 F CA -1.042 56.996 58.000 0.064 0.000 0.961 429 F CB 0.948 39.980 39.000 0.054 0.000 1.383 429 F HN 0.184 nan 8.300 nan 0.000 0.483 430 V N 1.842 121.923 119.914 0.279 0.000 2.493 430 V HA 0.299 4.415 4.120 -0.007 0.000 0.292 430 V C 0.846 177.042 176.094 0.170 0.000 1.016 430 V CA 0.644 63.061 62.300 0.195 0.000 1.097 430 V CB 0.115 32.034 31.823 0.159 0.000 0.947 430 V HN 1.024 nan 8.190 nan 0.000 0.479 431 G N 3.997 112.881 108.800 0.141 0.000 2.390 431 G HA2 -0.274 3.681 3.960 -0.007 0.000 0.299 431 G HA3 -0.274 3.681 3.960 -0.007 0.000 0.299 431 G C -0.052 174.904 174.900 0.093 0.000 1.002 431 G CA 1.148 46.306 45.100 0.096 0.000 0.979 431 G HN 0.912 nan 8.290 nan 0.000 0.513 432 Q N -1.610 118.274 119.800 0.139 0.000 2.647 432 Q HA 0.585 4.921 4.340 -0.007 0.000 0.283 432 Q C -1.345 174.797 176.000 0.237 0.000 0.943 432 Q CA -0.547 55.349 55.803 0.155 0.000 0.813 432 Q CB 1.344 30.165 28.738 0.137 0.000 1.477 432 Q HN 0.245 nan 8.270 nan 0.000 0.393 433 T N 2.105 116.786 114.554 0.212 0.000 2.952 433 T HA 0.616 4.962 4.350 -0.007 0.000 0.305 433 T C -1.413 173.435 174.700 0.248 0.000 1.064 433 T CA -0.666 61.584 62.100 0.250 0.000 1.008 433 T CB 1.132 70.086 68.868 0.144 0.000 1.078 433 T HN 0.474 nan 8.240 nan 0.000 0.459 434 R N 1.311 122.005 120.500 0.323 0.000 2.686 434 R HA 0.776 5.111 4.340 -0.007 0.000 0.286 434 R C -1.316 175.105 176.300 0.201 0.000 0.969 434 R CA -0.974 55.266 56.100 0.234 0.000 0.898 434 R CB 2.131 32.575 30.300 0.239 0.000 1.183 434 R HN 0.323 nan 8.270 nan 0.000 0.456 435 V N 4.214 124.205 119.914 0.128 0.000 2.435 435 V HA 0.431 4.547 4.120 -0.007 0.000 0.290 435 V C -0.198 175.931 176.094 0.059 0.000 1.030 435 V CA -0.729 61.621 62.300 0.084 0.000 0.881 435 V CB 1.558 33.396 31.823 0.024 0.000 0.983 435 V HN 0.511 nan 8.190 nan 0.000 0.445 436 L N 5.063 126.317 121.223 0.052 0.000 2.322 436 L HA 0.796 5.132 4.340 -0.007 0.000 0.281 436 L C 0.299 177.177 176.870 0.013 0.000 1.014 436 L CA -0.367 54.495 54.840 0.036 0.000 0.815 436 L CB 1.705 43.792 42.059 0.047 0.000 1.247 436 L HN 0.747 nan 8.230 nan 0.000 0.421 437 M N 3.350 122.953 119.600 0.005 0.000 2.367 437 M HA 0.917 5.393 4.480 -0.007 0.000 0.339 437 M C -0.307 175.993 176.300 0.000 0.000 1.177 437 M CA -0.345 54.952 55.300 -0.005 0.000 1.068 437 M CB 0.997 33.590 32.600 -0.011 0.000 1.602 437 M HN 0.657 nan 8.290 nan 0.000 0.457 446 T N 0.577 115.137 114.554 0.010 0.000 2.598 446 T HA 0.863 5.209 4.350 -0.007 0.000 0.289 446 T C -0.844 173.856 174.700 0.000 0.000 1.056 446 T CA -0.029 62.070 62.100 -0.002 0.000 1.088 446 T CB 0.970 69.829 68.868 -0.015 0.000 1.519 446 T HN 0.689 nan 8.240 nan 0.000 0.488 447 E N -1.011 119.180 120.200 -0.014 0.000 2.290 447 E HA 0.796 5.141 4.350 -0.007 0.000 0.274 447 E C -0.798 175.772 176.600 -0.049 0.000 0.889 447 E CA -0.364 56.029 56.400 -0.012 0.000 0.760 447 E CB 0.629 30.329 29.700 0.001 0.000 1.206 447 E HN 2.096 nan 8.360 nan 0.000 0.419 448 L N 0.792 121.965 121.223 -0.084 0.000 2.282 448 L HA 0.991 5.327 4.340 -0.007 0.000 0.288 448 L C 1.129 177.943 176.870 -0.093 0.000 1.033 448 L CA -0.457 54.270 54.840 -0.188 0.000 0.807 448 L CB 0.280 42.036 42.059 -0.505 0.000 1.209 448 L HN 1.701 nan 8.230 nan 0.000 0.423 449 M N 2.189 121.750 119.600 -0.065 0.000 2.219 449 M HA 0.604 5.079 4.480 -0.007 0.000 0.353 449 M C 1.625 177.965 176.300 0.067 0.000 1.304 449 M CA 0.544 55.848 55.300 0.007 0.000 1.115 449 M CB -0.400 32.200 32.600 0.000 0.000 1.664 449 M HN 2.826 nan 8.290 nan 0.000 0.459 450 G N 1.362 110.239 108.800 0.130 0.000 2.279 450 G HA2 -0.090 3.866 3.960 -0.007 0.000 0.223 450 G HA3 -0.090 3.866 3.960 -0.007 0.000 0.223 450 G C -0.152 174.930 174.900 0.303 0.000 1.015 450 G CA 0.161 45.381 45.100 0.199 0.000 0.621 450 G HN 1.192 nan 8.290 nan 0.000 0.506 451 F N 1.337 121.278 119.950 -0.016 0.000 2.384 451 F HA 0.699 5.222 4.527 -0.007 0.000 0.338 451 F C 0.974 176.760 175.800 -0.023 0.000 1.103 451 F CA -1.315 56.670 58.000 -0.026 0.000 1.157 451 F CB 1.635 40.618 39.000 -0.028 0.000 1.167 451 F HN 0.030 nan 8.300 nan 0.000 0.529 452 V N 2.870 122.823 119.914 0.065 0.000 2.953 452 V HA 0.158 4.273 4.120 -0.007 0.000 0.304 452 V C 0.311 176.436 176.094 0.052 0.000 1.073 452 V CA -0.027 62.289 62.300 0.026 0.000 1.064 452 V CB 1.677 33.474 31.823 -0.042 0.000 1.047 452 V HN 0.864 nan 8.190 nan 0.000 0.478 453 D N -0.155 120.271 120.400 0.043 0.000 2.520 453 D HA 0.050 4.686 4.640 -0.007 0.000 0.223 453 D C 0.351 176.675 176.300 0.040 0.000 1.186 453 D CA 0.099 54.133 54.000 0.057 0.000 0.821 453 D CB 0.146 40.984 40.800 0.062 0.000 1.072 453 D HN 0.621 nan 8.370 nan 0.000 0.518 454 D N -0.680 119.729 120.400 0.016 0.000 2.479 454 D HA 0.125 4.761 4.640 -0.007 0.000 0.218 454 D C 0.274 176.572 176.300 -0.003 0.000 1.177 454 D CA -0.139 53.867 54.000 0.010 0.000 0.830 454 D CB 0.262 41.064 40.800 0.002 0.000 1.014 454 D HN -0.059 nan 8.370 nan 0.000 0.503 455 Q N 0.287 120.075 119.800 -0.021 0.000 2.433 455 Q HA 0.303 4.638 4.340 -0.007 0.000 0.279 455 Q C -0.853 175.115 176.000 -0.054 0.000 1.105 455 Q CA -0.672 55.096 55.803 -0.058 0.000 0.815 455 Q CB 2.242 30.909 28.738 -0.118 0.000 1.403 455 Q HN 0.228 nan 8.270 nan 0.000 0.435 456 Q N 0.652 120.402 119.800 -0.083 0.000 2.288 456 Q HA 0.223 4.558 4.340 -0.007 0.000 0.258 456 Q C -0.803 175.074 176.000 -0.205 0.000 0.957 456 Q CA 0.110 55.891 55.803 -0.035 0.000 0.919 456 Q CB 0.745 29.544 28.738 0.102 0.000 1.185 456 Q HN 0.434 nan 8.270 nan 0.000 0.408 457 T N 4.980 119.485 114.554 -0.081 0.000 2.884 457 T HA 0.149 4.494 4.350 -0.007 0.000 0.298 457 T C 0.382 175.106 174.700 0.039 0.000 0.998 457 T CA 0.046 62.015 62.100 -0.219 0.000 1.124 457 T CB 0.340 69.002 68.868 -0.343 0.000 0.931 457 T HN 0.567 nan 8.240 nan 0.000 0.531 458 F N 0.720 120.569 119.950 -0.168 0.000 2.653 458 F HA 0.397 4.919 4.527 -0.007 0.000 0.288 458 F C 0.349 176.189 175.800 0.066 0.000 1.121 458 F CA -0.507 57.522 58.000 0.048 0.000 1.384 458 F CB 0.669 39.719 39.000 0.083 0.000 1.115 458 F HN 0.453 nan 8.300 nan 0.000 0.599 459 F N 0.741 120.480 119.950 -0.351 0.000 2.688 459 F HA 0.470 4.992 4.527 -0.008 0.000 0.308 459 F C -0.993 174.281 175.800 -0.877 0.000 1.117 459 F CA -1.600 56.008 58.000 -0.653 0.000 0.976 459 F CB 1.185 40.111 39.000 -0.125 0.000 1.291 459 F HN -0.032 nan 8.300 nan 0.000 0.439 460 C N 2.425 120.632 119.300 -1.822 0.000 3.288 460 C HA 1.096 5.552 4.460 -0.007 0.000 0.318 460 C C -0.293 174.210 174.990 -0.812 0.000 1.356 460 C CA -0.064 58.411 59.018 -0.906 0.000 1.359 460 C CB 1.274 28.704 27.740 -0.516 0.000 1.688 460 C HN 1.885 nan 8.230 nan 0.000 0.467 461 G N 1.176 109.864 108.800 -0.187 0.000 2.327 461 G HA2 0.296 4.251 3.960 -0.007 0.000 0.291 461 G HA3 0.296 4.251 3.960 -0.007 0.000 0.291 461 G C -2.118 172.857 174.900 0.125 0.000 1.290 461 G CA -0.783 44.309 45.100 -0.013 0.000 0.857 461 G HN 0.970 nan 8.290 nan 0.000 0.520 462 N N 0.223 118.995 118.700 0.120 0.000 2.499 462 N HA 0.554 5.290 4.740 -0.007 0.000 0.281 462 N C 0.174 175.751 175.510 0.113 0.000 1.098 462 N CA 0.230 53.343 53.050 0.104 0.000 0.979 462 N CB 1.956 40.488 38.487 0.075 0.000 1.121 462 N HN 0.949 nan 8.380 nan 0.000 0.466 463 V N -1.385 118.582 119.914 0.087 0.000 3.156 463 V HA 0.800 4.915 4.120 -0.007 0.000 0.310 463 V C 0.217 176.315 176.094 0.007 0.000 1.234 463 V CA -1.286 61.050 62.300 0.060 0.000 1.065 463 V CB 0.851 32.722 31.823 0.081 0.000 1.088 463 V HN 0.651 nan 8.190 nan 0.000 0.451 464 A N 0.527 123.310 122.820 -0.063 0.000 2.547 464 A HA 0.374 4.690 4.320 -0.007 0.000 0.233 464 A C 0.831 178.326 177.584 -0.148 0.000 1.067 464 A CA 0.974 52.868 52.037 -0.238 0.000 0.763 464 A CB -0.925 17.817 19.000 -0.431 0.000 1.007 464 A HN 1.971 nan 8.150 nan 0.000 0.506 465 H N -0.149 118.934 119.070 0.021 0.000 2.839 465 H HA -0.166 4.386 4.556 -0.007 0.000 0.298 465 H C -0.024 175.323 175.328 0.032 0.000 1.224 465 H CA 1.082 57.146 56.048 0.027 0.000 1.144 465 H CB -2.347 27.434 29.762 0.032 0.000 1.372 465 H HN 0.928 nan 8.280 nan 0.000 0.408 466 Q N -1.508 118.342 119.800 0.083 0.000 2.459 466 Q HA -0.229 4.106 4.340 -0.007 0.000 0.322 466 Q C -0.137 175.909 176.000 0.077 0.000 1.427 466 Q CA 1.108 56.951 55.803 0.067 0.000 0.861 466 Q CB -0.719 28.056 28.738 0.062 0.000 1.137 466 Q HN 0.713 nan 8.270 nan 0.000 0.394 467 Q N -0.203 119.645 119.800 0.081 0.000 2.528 467 Q HA 0.793 5.128 4.340 -0.007 0.000 0.289 467 Q C -0.561 175.500 176.000 0.101 0.000 1.091 467 Q CA -0.971 54.888 55.803 0.093 0.000 0.797 467 Q CB 1.767 30.570 28.738 0.108 0.000 1.466 467 Q HN 0.250 nan 8.270 nan 0.000 0.436 468 L N 0.785 122.088 121.223 0.133 0.000 2.303 468 L HA 0.695 5.031 4.340 -0.007 0.000 0.266 468 L C -0.803 176.182 176.870 0.192 0.000 1.011 468 L CA -0.891 54.064 54.840 0.191 0.000 0.818 468 L CB 1.717 43.935 42.059 0.265 0.000 1.326 468 L HN 0.502 nan 8.230 nan 0.000 0.435 469 I N 0.762 121.437 120.570 0.175 0.000 2.730 469 I HA 0.358 4.524 4.170 -0.007 0.000 0.298 469 I C -1.224 174.792 176.117 -0.169 0.000 1.089 469 I CA -0.248 61.082 61.300 0.050 0.000 1.041 469 I CB 2.314 40.372 38.000 0.097 0.000 1.235 469 I HN 0.618 nan 8.210 nan 0.000 0.423 470 Q N 7.324 126.887 119.800 -0.396 0.000 2.304 470 Q HA 0.546 4.881 4.340 -0.007 0.000 0.270 470 Q C -1.880 173.921 176.000 -0.332 0.000 1.035 470 Q CA -0.672 54.749 55.803 -0.636 0.000 0.781 470 Q CB 2.081 30.043 28.738 -1.294 0.000 1.261 470 Q HN 0.596 nan 8.270 nan 0.000 0.444 471 I N 3.399 123.831 120.570 -0.230 0.000 2.378 471 I HA 0.380 4.545 4.170 -0.007 0.000 0.291 471 I C 0.480 176.461 176.117 -0.228 0.000 0.992 471 I CA -0.482 60.747 61.300 -0.118 0.000 1.154 471 I CB 1.725 39.751 38.000 0.045 0.000 1.315 471 I HN 0.681 nan 8.210 nan 0.000 0.448 472 T N 0.466 114.843 114.554 -0.294 0.000 2.718 472 T HA 0.226 4.571 4.350 -0.007 0.000 0.267 472 T C 1.093 175.360 174.700 -0.721 0.000 0.957 472 T CA 0.022 61.793 62.100 -0.549 0.000 1.025 472 T CB 1.379 70.020 68.868 -0.378 0.000 1.355 472 T HN 0.551 nan 8.240 nan 0.000 0.572 473 S N -0.472 114.710 115.700 -0.862 0.000 2.515 473 S HA 0.166 4.632 4.470 -0.007 0.000 0.231 473 S C 1.912 176.424 174.600 -0.146 0.000 0.987 473 S CA 0.486 58.403 58.200 -0.472 0.000 0.936 473 S CB -0.810 62.237 63.200 -0.255 0.000 0.766 473 S HN 1.005 nan 8.310 nan 0.000 0.528 474 A N 1.135 123.860 122.820 -0.158 0.000 1.993 474 A HA 0.565 4.881 4.320 -0.007 0.000 0.207 474 A C 1.062 178.615 177.584 -0.053 0.000 1.224 474 A CA 0.541 52.527 52.037 -0.085 0.000 0.749 474 A CB 0.098 19.044 19.000 -0.090 0.000 0.884 474 A HN 0.870 nan 8.150 nan 0.000 0.467 475 S N -1.870 113.802 115.700 -0.046 0.000 2.565 475 S HA 0.563 5.028 4.470 -0.007 0.000 0.269 475 S C -1.208 173.417 174.600 0.040 0.000 1.153 475 S CA -0.625 57.581 58.200 0.011 0.000 0.835 475 S CB 1.366 64.542 63.200 -0.040 0.000 1.122 475 S HN 0.380 nan 8.310 nan 0.000 0.462 476 V N 1.957 121.959 119.914 0.145 0.000 2.383 476 V HA 0.528 4.644 4.120 -0.007 0.000 0.275 476 V C 0.038 176.157 176.094 0.042 0.000 1.036 476 V CA -0.465 61.884 62.300 0.082 0.000 0.889 476 V CB 0.930 32.824 31.823 0.118 0.000 0.985 476 V HN 0.827 nan 8.190 nan 0.000 0.459 477 R N 4.059 124.533 120.500 -0.044 0.000 2.310 477 R HA 0.552 4.888 4.340 -0.007 0.000 0.324 477 R C -1.162 175.126 176.300 -0.020 0.000 0.955 477 R CA -0.787 55.284 56.100 -0.048 0.000 0.830 477 R CB 1.713 31.939 30.300 -0.124 0.000 1.154 477 R HN 0.503 nan 8.270 nan 0.000 0.458 478 L N 4.230 125.472 121.223 0.032 0.000 2.275 478 L HA 0.405 4.740 4.340 -0.007 0.000 0.288 478 L C -0.992 175.927 176.870 0.081 0.000 1.046 478 L CA -0.410 54.467 54.840 0.061 0.000 0.805 478 L CB 1.772 43.872 42.059 0.069 0.000 1.193 478 L HN 0.321 nan 8.230 nan 0.000 0.426 479 V N 4.420 124.404 119.914 0.118 0.000 2.487 479 V HA 0.494 4.609 4.120 -0.007 0.000 0.298 479 V C 0.153 176.312 176.094 0.109 0.000 1.028 479 V CA -0.578 61.804 62.300 0.137 0.000 0.860 479 V CB 1.835 33.803 31.823 0.242 0.000 0.991 479 V HN 0.934 nan 8.190 nan 0.000 0.427 480 S N 4.423 120.171 115.700 0.080 0.000 2.596 480 S HA 0.221 4.687 4.470 -0.007 0.000 0.260 480 S C 0.555 175.186 174.600 0.052 0.000 1.336 480 S CA -0.261 57.977 58.200 0.064 0.000 0.993 480 S CB 1.212 64.442 63.200 0.049 0.000 0.923 480 S HN 0.677 nan 8.310 nan 0.000 0.567 481 Q N 0.495 120.321 119.800 0.043 0.000 2.287 481 Q HA 0.177 4.513 4.340 -0.007 0.000 0.201 481 Q C -0.049 175.961 176.000 0.017 0.000 0.946 481 Q CA 0.935 56.755 55.803 0.027 0.000 0.868 481 Q CB 0.097 28.853 28.738 0.029 0.000 0.967 481 Q HN 0.827 nan 8.270 nan 0.000 0.516 482 E N 2.068 122.280 120.200 0.021 0.000 2.437 482 E HA 0.261 4.606 4.350 -0.007 0.000 0.238 482 E C -2.038 174.571 176.600 0.016 0.000 0.969 482 E CA -1.058 55.351 56.400 0.015 0.000 0.759 482 E CB 1.402 31.111 29.700 0.015 0.000 1.283 482 E HN 0.227 nan 8.360 nan 0.000 0.416 483 P HA 0.301 nan 4.420 nan 0.000 0.306 483 P C -0.744 176.564 177.300 0.014 0.000 1.309 483 P CA -0.785 62.321 63.100 0.010 0.000 0.759 483 P CB 1.117 32.822 31.700 0.008 0.000 1.314 484 K N -0.163 120.242 120.400 0.009 0.000 2.263 484 K HA 0.638 4.953 4.320 -0.007 0.000 0.282 484 K C -0.551 176.066 176.600 0.028 0.000 1.089 484 K CA -0.232 56.064 56.287 0.015 0.000 0.907 484 K CB 0.607 33.101 32.500 -0.009 0.000 1.148 484 K HN 0.592 nan 8.250 nan 0.000 0.470 485 A N 2.787 125.633 122.820 0.042 0.000 2.587 485 A HA 0.376 4.691 4.320 -0.007 0.000 0.293 485 A C -1.550 176.069 177.584 0.059 0.000 1.087 485 A CA -0.876 51.188 52.037 0.045 0.000 0.692 485 A CB 0.950 19.968 19.000 0.030 0.000 1.291 485 A HN 0.581 nan 8.150 nan 0.000 0.407 486 L N 2.306 123.562 121.223 0.055 0.000 2.698 486 L HA 0.219 4.555 4.340 -0.007 0.000 0.272 486 L C 1.202 178.096 176.870 0.040 0.000 1.154 486 L CA 0.965 55.835 54.840 0.050 0.000 0.964 486 L CB 0.509 42.589 42.059 0.036 0.000 1.272 486 L HN 0.939 nan 8.230 nan 0.000 0.483 487 V N 1.094 121.036 119.914 0.047 0.000 3.431 487 V HA 0.396 4.511 4.120 -0.007 0.000 0.253 487 V C 0.763 176.881 176.094 0.040 0.000 1.184 487 V CA 0.693 63.018 62.300 0.041 0.000 1.104 487 V CB 0.179 32.029 31.823 0.045 0.000 0.799 487 V HN 0.726 nan 8.190 nan 0.000 0.462 488 S N -0.412 115.316 115.700 0.047 0.000 2.537 488 S HA 0.580 5.046 4.470 -0.007 0.000 0.270 488 S C -1.499 173.134 174.600 0.054 0.000 1.142 488 S CA -0.500 57.731 58.200 0.052 0.000 0.870 488 S CB 2.141 65.382 63.200 0.068 0.000 1.112 488 S HN 0.624 nan 8.310 nan 0.000 0.466 489 E N 2.426 122.659 120.200 0.054 0.000 2.281 489 E HA 0.321 4.666 4.350 -0.007 0.000 0.266 489 E C -1.908 174.745 176.600 0.089 0.000 0.893 489 E CA -0.514 55.919 56.400 0.055 0.000 0.798 489 E CB 0.998 30.701 29.700 0.004 0.000 1.245 489 E HN 0.636 nan 8.360 nan 0.000 0.410 490 W N 5.361 126.624 121.300 -0.062 0.000 2.390 490 W HA 0.414 5.069 4.660 -0.007 0.000 0.312 490 W C -0.823 175.631 176.519 -0.108 0.000 1.123 490 W CA -0.302 56.993 57.345 -0.082 0.000 1.202 490 W CB 0.837 30.251 29.460 -0.077 0.000 1.251 490 W HN 0.320 nan 8.180 nan 0.000 0.511 491 K N 3.635 123.486 120.400 -0.914 0.000 2.385 491 K HA 0.161 4.477 4.320 -0.007 0.000 0.248 491 K C -0.500 175.046 176.600 -1.756 0.000 0.955 491 K CA -1.138 54.572 56.287 -0.961 0.000 0.816 491 K CB 1.934 34.140 32.500 -0.491 0.000 1.250 491 K HN 0.364 nan 8.250 nan 0.000 0.434 492 E N 2.666 122.127 120.200 -1.232 0.000 2.384 492 E HA 0.024 4.370 4.350 -0.007 0.000 0.266 492 E C -1.860 174.402 176.600 -0.565 0.000 1.012 492 E CA -1.508 54.338 56.400 -0.922 0.000 0.901 492 E CB 0.889 30.384 29.700 -0.341 0.000 0.967 492 E HN 0.229 nan 8.360 nan 0.000 0.435 493 P HA -0.228 nan 4.420 nan 0.000 0.220 493 P C 0.756 177.943 177.300 -0.187 0.000 1.155 493 P CA 2.686 65.629 63.100 -0.262 0.000 0.880 493 P CB 0.152 31.765 31.700 -0.146 0.000 0.790 494 Q N -1.626 118.089 119.800 -0.141 0.000 2.222 494 Q HA 0.641 4.977 4.340 -0.007 0.000 0.206 494 Q C 1.033 176.968 176.000 -0.107 0.000 0.877 494 Q CA 0.645 56.388 55.803 -0.099 0.000 0.958 494 Q CB -1.133 27.572 28.738 -0.054 0.000 1.075 494 Q HN 0.276 nan 8.270 nan 0.000 0.483 495 A N -1.777 120.946 122.820 -0.163 0.000 2.799 495 A HA 0.032 4.348 4.320 -0.007 0.000 0.287 495 A C 0.960 178.490 177.584 -0.090 0.000 1.484 495 A CA 1.392 53.337 52.037 -0.152 0.000 0.813 495 A CB -2.717 16.208 19.000 -0.125 0.000 1.009 495 A HN 1.799 nan 8.150 nan 0.000 0.545 496 K N 0.198 120.558 120.400 -0.066 0.000 2.319 496 K HA 0.457 4.773 4.320 -0.007 0.000 0.265 496 K C 0.212 176.822 176.600 0.017 0.000 1.000 496 K CA 0.110 56.391 56.287 -0.010 0.000 0.943 496 K CB 0.140 32.653 32.500 0.021 0.000 0.950 496 K HN 0.597 nan 8.250 nan 0.000 0.485 497 N N 0.651 119.378 118.700 0.046 0.000 2.492 497 N HA 0.133 4.868 4.740 -0.007 0.000 0.262 497 N C -0.070 175.530 175.510 0.150 0.000 1.202 497 N CA -0.160 52.938 53.050 0.079 0.000 0.926 497 N CB 0.240 38.782 38.487 0.091 0.000 1.078 497 N HN 0.577 nan 8.380 nan 0.000 0.454 498 I N 1.236 121.919 120.570 0.188 0.000 2.556 498 I HA -0.091 4.075 4.170 -0.007 0.000 0.284 498 I C 1.500 177.868 176.117 0.418 0.000 1.114 498 I CA 0.196 61.673 61.300 0.294 0.000 1.418 498 I CB 0.561 38.740 38.000 0.298 0.000 1.394 498 I HN 0.587 nan 8.210 nan 0.000 0.552 499 S N 4.635 120.528 115.700 0.321 0.000 2.499 499 S HA 0.242 4.708 4.470 -0.007 0.000 0.225 499 S C 0.390 175.026 174.600 0.060 0.000 1.050 499 S CA -0.225 58.118 58.200 0.238 0.000 0.928 499 S CB 0.329 63.621 63.200 0.153 0.000 0.803 499 S HN 0.360 nan 8.310 nan 0.000 0.506 500 V N 0.871 120.846 119.914 0.102 0.000 2.971 500 V HA 0.874 4.990 4.120 -0.007 0.000 0.309 500 V C -0.778 175.387 176.094 0.119 0.000 1.130 500 V CA -0.595 61.718 62.300 0.022 0.000 0.964 500 V CB 1.520 33.383 31.823 0.067 0.000 1.029 500 V HN 0.577 nan 8.190 nan 0.000 0.427 501 A N 2.264 125.147 122.820 0.105 0.000 2.488 501 A HA 0.969 5.284 4.320 -0.007 0.000 0.298 501 A C -0.514 177.104 177.584 0.057 0.000 1.044 501 A CA -0.160 51.956 52.037 0.131 0.000 0.693 501 A CB 2.063 21.215 19.000 0.253 0.000 1.272 501 A HN 1.428 nan 8.150 nan 0.000 0.402 502 S N -0.366 115.317 115.700 -0.028 0.000 2.595 502 S HA 0.838 5.303 4.470 -0.007 0.000 0.281 502 S C -0.849 173.575 174.600 -0.294 0.000 1.117 502 S CA -0.746 57.364 58.200 -0.150 0.000 0.873 502 S CB 1.463 64.621 63.200 -0.072 0.000 1.108 502 S HN 2.003 nan 8.310 nan 0.000 0.477 503 C N 2.647 121.621 119.300 -0.542 0.000 2.931 503 C HA 0.713 5.169 4.460 -0.007 0.000 0.370 503 C C -0.577 174.141 174.990 -0.453 0.000 1.071 503 C CA -0.372 58.295 59.018 -0.584 0.000 1.266 503 C CB 0.386 27.553 27.740 -0.955 0.000 1.691 503 C HN 1.224 nan 8.230 nan 0.000 0.511 504 N N 1.665 120.249 118.700 -0.193 0.000 3.040 504 N HA 0.425 5.160 4.740 -0.007 0.000 0.339 504 N C 0.917 176.423 175.510 -0.007 0.000 1.387 504 N CA 0.164 53.172 53.050 -0.070 0.000 0.745 504 N CB 0.196 38.657 38.487 -0.044 0.000 1.237 504 N HN 0.544 nan 8.380 nan 0.000 0.565 505 S N -2.159 113.547 115.700 0.010 0.000 2.489 505 S HA 0.091 4.557 4.470 -0.007 0.000 0.228 505 S C 0.909 175.493 174.600 -0.027 0.000 0.995 505 S CA 0.712 58.919 58.200 0.012 0.000 0.934 505 S CB -0.487 62.713 63.200 0.001 0.000 0.771 505 S HN 0.452 nan 8.310 nan 0.000 0.522 506 S N 0.184 115.862 115.700 -0.037 0.000 2.589 506 S HA 0.340 4.805 4.470 -0.007 0.000 0.235 506 S C -0.043 174.538 174.600 -0.033 0.000 1.051 506 S CA -0.491 57.674 58.200 -0.058 0.000 0.978 506 S CB 0.530 63.694 63.200 -0.061 0.000 0.929 506 S HN 0.569 nan 8.310 nan 0.000 0.523 507 Q N 0.785 120.586 119.800 0.001 0.000 2.397 507 Q HA 0.696 5.032 4.340 -0.007 0.000 0.275 507 Q C -1.562 174.451 176.000 0.021 0.000 1.090 507 Q CA -0.653 55.198 55.803 0.080 0.000 0.809 507 Q CB 2.870 31.701 28.738 0.156 0.000 1.362 507 Q HN 0.015 nan 8.270 nan 0.000 0.431 508 V N 1.603 121.552 119.914 0.058 0.000 2.638 508 V HA 0.553 4.668 4.120 -0.007 0.000 0.306 508 V C -0.884 175.253 176.094 0.073 0.000 1.052 508 V CA -0.747 61.544 62.300 -0.016 0.000 0.885 508 V CB 2.036 33.803 31.823 -0.093 0.000 0.999 508 V HN 0.538 nan 8.190 nan 0.000 0.424 509 V N 5.033 124.970 119.914 0.039 0.000 2.588 509 V HA 0.758 4.874 4.120 -0.007 0.000 0.304 509 V C -0.430 175.699 176.094 0.058 0.000 1.042 509 V CA -0.629 61.733 62.300 0.103 0.000 0.877 509 V CB 2.077 33.980 31.823 0.134 0.000 0.996 509 V HN 0.803 nan 8.190 nan 0.000 0.425 510 V N 1.522 121.483 119.914 0.077 0.000 2.962 510 V HA 1.062 5.177 4.120 -0.007 0.000 0.313 510 V C -0.151 176.048 176.094 0.175 0.000 1.099 510 V CA -0.826 61.537 62.300 0.106 0.000 0.971 510 V CB 1.850 33.709 31.823 0.060 0.000 1.028 510 V HN 1.143 nan 8.190 nan 0.000 0.430 511 A N 2.336 125.266 122.820 0.182 0.000 2.337 511 A HA 0.921 5.236 4.320 -0.007 0.000 0.331 511 A C -0.683 177.044 177.584 0.237 0.000 1.137 511 A CA -0.749 51.394 52.037 0.177 0.000 0.807 511 A CB 1.915 20.991 19.000 0.126 0.000 1.250 511 A HN 1.595 nan 8.150 nan 0.000 0.468 512 V N 2.568 122.625 119.914 0.239 0.000 2.443 512 V HA 0.556 4.672 4.120 -0.007 0.000 0.272 512 V C 1.028 177.205 176.094 0.138 0.000 1.002 512 V CA 0.376 62.814 62.300 0.230 0.000 0.840 512 V CB -0.093 31.933 31.823 0.337 0.000 1.042 512 V HN 2.066 nan 8.190 nan 0.000 0.446 513 G N 5.501 114.355 108.800 0.089 0.000 2.677 513 G HA2 -0.349 3.607 3.960 -0.007 0.000 0.321 513 G HA3 -0.349 3.607 3.960 -0.007 0.000 0.321 513 G C 0.934 175.848 174.900 0.024 0.000 1.181 513 G CA 1.129 46.246 45.100 0.027 0.000 0.965 513 G HN 0.600 nan 8.290 nan 0.000 0.548 514 R N 1.289 121.793 120.500 0.007 0.000 2.308 514 R HA 0.559 4.895 4.340 -0.007 0.000 0.202 514 R C 1.254 177.524 176.300 -0.049 0.000 0.898 514 R CA 0.566 56.658 56.100 -0.012 0.000 1.046 514 R CB 0.464 30.745 30.300 -0.032 0.000 1.026 514 R HN 0.689 nan 8.270 nan 0.000 0.512 515 A N 1.767 124.567 122.820 -0.034 0.000 2.366 515 A HA 0.435 4.751 4.320 -0.007 0.000 0.272 515 A C -0.320 177.166 177.584 -0.164 0.000 1.135 515 A CA -0.246 51.714 52.037 -0.129 0.000 0.804 515 A CB 0.401 19.359 19.000 -0.070 0.000 1.064 515 A HN 0.133 nan 8.150 nan 0.000 0.499 516 L N 2.047 123.038 121.223 -0.386 0.000 2.334 516 L HA 0.539 4.875 4.340 -0.007 0.000 0.276 516 L C -1.314 175.261 176.870 -0.492 0.000 1.014 516 L CA -0.545 54.082 54.840 -0.355 0.000 0.815 516 L CB 1.634 43.350 42.059 -0.572 0.000 1.268 516 L HN 0.756 nan 8.230 nan 0.000 0.428 517 Y N 1.501 121.829 120.300 0.047 0.000 2.391 517 Y HA 0.312 4.858 4.550 -0.008 0.000 0.341 517 Y C -0.698 175.322 175.900 0.200 0.000 0.965 517 Y CA -0.688 57.482 58.100 0.116 0.000 1.067 517 Y CB 1.785 40.194 38.460 -0.086 0.000 1.199 517 Y HN 0.316 nan 8.280 nan 0.000 0.450 518 Y N 4.963 125.457 120.300 0.324 0.000 2.369 518 Y HA 0.657 5.203 4.550 -0.007 0.000 0.337 518 Y C -1.486 174.428 175.900 0.023 0.000 0.961 518 Y CA -1.785 56.410 58.100 0.158 0.000 1.186 518 Y CB 0.229 38.751 38.460 0.103 0.000 1.139 518 Y HN 0.550 nan 8.280 nan 0.000 0.494 519 L N 5.465 126.579 121.223 -0.181 0.000 2.334 519 L HA 0.574 4.909 4.340 -0.007 0.000 0.272 519 L C -0.285 176.358 176.870 -0.379 0.000 1.020 519 L CA -0.977 53.655 54.840 -0.347 0.000 0.812 519 L CB 1.706 43.557 42.059 -0.347 0.000 1.264 519 L HN 0.478 nan 8.230 nan 0.000 0.439 520 Q N 1.597 121.212 119.800 -0.308 0.000 2.345 520 Q HA 0.569 4.905 4.340 -0.007 0.000 0.268 520 Q C -1.111 174.807 176.000 -0.137 0.000 1.054 520 Q CA -0.752 54.919 55.803 -0.220 0.000 0.835 520 Q CB 3.113 31.718 28.738 -0.221 0.000 1.339 520 Q HN 0.495 nan 8.270 nan 0.000 0.447 521 I N 3.117 123.586 120.570 -0.168 0.000 2.301 521 I HA 0.227 4.392 4.170 -0.007 0.000 0.292 521 I C -0.021 176.010 176.117 -0.142 0.000 1.046 521 I CA -0.247 61.007 61.300 -0.077 0.000 1.282 521 I CB 0.195 38.185 38.000 -0.018 0.000 1.409 521 I HN 0.384 nan 8.210 nan 0.000 0.484 522 H N 6.517 125.646 119.070 0.098 0.000 2.737 522 H HA 0.313 4.865 4.556 -0.007 0.000 0.358 522 H C -1.734 173.573 175.328 -0.035 0.000 1.187 522 H CA -1.841 54.229 56.048 0.036 0.000 1.221 522 H CB 1.690 31.433 29.762 -0.031 0.000 1.799 522 H HN 0.212 nan 8.280 nan 0.000 0.568 523 P HA -0.194 nan 4.420 nan 0.000 0.218 523 P C 0.531 177.836 177.300 0.009 0.000 1.165 523 P CA 2.590 65.591 63.100 -0.165 0.000 0.922 523 P CB 0.269 31.830 31.700 -0.232 0.000 0.794 524 Q N -0.739 119.072 119.800 0.018 0.000 2.333 524 Q HA 0.370 4.705 4.340 -0.007 0.000 0.365 524 Q C -0.282 175.748 176.000 0.050 0.000 0.882 524 Q CA -0.341 55.485 55.803 0.039 0.000 1.124 524 Q CB -0.182 28.570 28.738 0.024 0.000 1.345 524 Q HN 0.314 nan 8.270 nan 0.000 0.409 525 E N 0.527 120.775 120.200 0.079 0.000 2.343 525 E HA 0.415 4.760 4.350 -0.007 0.000 0.288 525 E C -1.567 175.108 176.600 0.126 0.000 0.907 525 E CA -0.461 55.995 56.400 0.092 0.000 0.792 525 E CB 1.252 30.995 29.700 0.072 0.000 1.275 525 E HN 0.461 nan 8.360 nan 0.000 0.402 526 L N 4.772 126.059 121.223 0.106 0.000 2.282 526 L HA 0.435 4.770 4.340 -0.007 0.000 0.287 526 L C 0.445 177.378 176.870 0.106 0.000 1.075 526 L CA -0.249 54.647 54.840 0.093 0.000 0.839 526 L CB 0.478 42.601 42.059 0.106 0.000 1.219 526 L HN 0.279 nan 8.230 nan 0.000 0.434 527 R N 3.586 124.147 120.500 0.103 0.000 2.198 527 R HA 0.173 4.509 4.340 -0.007 0.000 0.339 527 R C -0.137 176.163 176.300 0.001 0.000 1.020 527 R CA -0.542 55.608 56.100 0.083 0.000 0.864 527 R CB 0.825 31.206 30.300 0.135 0.000 1.105 527 R HN 0.538 nan 8.270 nan 0.000 0.463 528 Q N 5.400 125.236 119.800 0.060 0.000 2.263 528 Q HA 0.020 4.355 4.340 -0.007 0.000 0.270 528 Q C 0.452 176.474 176.000 0.038 0.000 1.104 528 Q CA -0.111 55.730 55.803 0.064 0.000 0.909 528 Q CB 0.686 29.589 28.738 0.275 0.000 1.214 528 Q HN 0.691 nan 8.270 nan 0.000 0.400 529 I N 1.623 122.144 120.570 -0.081 0.000 2.556 529 I HA 0.028 4.194 4.170 -0.007 0.000 0.251 529 I C 0.852 177.031 176.117 0.104 0.000 1.105 529 I CA 0.865 62.115 61.300 -0.083 0.000 1.436 529 I CB -0.658 37.104 38.000 -0.397 0.000 1.139 529 I HN 0.681 nan 8.210 nan 0.000 0.438 530 S N 0.494 116.334 115.700 0.233 0.000 2.611 530 S HA 0.570 5.036 4.470 -0.007 0.000 0.268 530 S C -0.846 174.090 174.600 0.560 0.000 1.156 530 S CA -0.760 57.667 58.200 0.378 0.000 0.817 530 S CB 2.653 66.060 63.200 0.345 0.000 1.122 530 S HN 0.470 nan 8.310 nan 0.000 0.466 531 H N -0.801 118.452 119.070 0.305 0.000 2.960 531 H HA 0.842 5.393 4.556 -0.007 0.000 0.323 531 H C -1.170 174.022 175.328 -0.226 0.000 1.326 531 H CA -0.372 55.645 56.048 -0.051 0.000 1.124 531 H CB 1.270 30.880 29.762 -0.254 0.000 1.853 531 H HN 0.990 nan 8.280 nan 0.000 0.536 532 T N -0.792 113.438 114.554 -0.539 0.000 2.677 532 T HA 0.327 4.673 4.350 -0.007 0.000 0.305 532 T C -1.677 172.819 174.700 -0.341 0.000 1.569 532 T CA -0.627 61.195 62.100 -0.463 0.000 0.984 532 T CB 2.102 70.654 68.868 -0.527 0.000 1.629 532 T HN 0.761 nan 8.240 nan 0.000 0.494 533 E N 2.005 122.066 120.200 -0.232 0.000 2.220 533 E HA 0.516 4.862 4.350 -0.007 0.000 0.256 533 E C -0.275 176.235 176.600 -0.149 0.000 0.881 533 E CA -0.673 55.630 56.400 -0.162 0.000 0.766 533 E CB 0.682 30.327 29.700 -0.093 0.000 1.187 533 E HN 0.497 nan 8.360 nan 0.000 0.419 534 M N 2.625 122.141 119.600 -0.140 0.000 2.198 534 M HA 0.182 4.658 4.480 -0.007 0.000 0.315 534 M C 1.530 177.762 176.300 -0.113 0.000 1.134 534 M CA 0.773 56.010 55.300 -0.105 0.000 1.171 534 M CB 0.276 32.841 32.600 -0.057 0.000 1.413 534 M HN 0.770 nan 8.290 nan 0.000 0.467 535 E N 1.476 121.586 120.200 -0.150 0.000 2.152 535 E HA -0.057 4.289 4.350 -0.007 0.000 0.192 535 E C 0.552 176.830 176.600 -0.535 0.000 0.983 535 E CA 1.362 57.566 56.400 -0.325 0.000 0.818 535 E CB -0.160 29.318 29.700 -0.369 0.000 0.758 535 E HN 0.711 nan 8.360 nan 0.000 0.467 536 H N -1.393 117.691 119.070 0.023 0.000 2.864 536 H HA 0.436 4.988 4.556 -0.007 0.000 0.354 536 H C -0.764 174.597 175.328 0.055 0.000 1.208 536 H CA -0.954 55.124 56.048 0.050 0.000 1.191 536 H CB 0.955 30.776 29.762 0.098 0.000 1.889 536 H HN 0.282 nan 8.280 nan 0.000 0.574 537 E N 1.113 121.428 120.200 0.192 0.000 2.413 537 E HA 0.086 4.431 4.350 -0.007 0.000 0.263 537 E C -0.491 176.278 176.600 0.281 0.000 1.015 537 E CA -0.200 56.247 56.400 0.079 0.000 0.916 537 E CB 0.852 30.392 29.700 -0.267 0.000 0.947 537 E HN 0.158 nan 8.360 nan 0.000 0.440 538 V N 3.816 123.860 119.914 0.216 0.000 2.508 538 V HA 0.059 4.174 4.120 -0.007 0.000 0.281 538 V C 0.955 177.271 176.094 0.370 0.000 1.041 538 V CA 0.567 63.011 62.300 0.240 0.000 1.016 538 V CB 1.009 32.914 31.823 0.136 0.000 0.984 538 V HN 0.851 nan 8.190 nan 0.000 0.478 539 A N 4.272 127.272 122.820 0.300 0.000 1.942 539 A HA 0.278 4.594 4.320 -0.007 0.000 0.209 539 A C 0.933 178.579 177.584 0.103 0.000 1.214 539 A CA 1.033 53.180 52.037 0.183 0.000 0.686 539 A CB 0.072 18.975 19.000 -0.161 0.000 0.871 539 A HN 1.009 nan 8.150 nan 0.000 0.460 540 C N -3.081 116.268 119.300 0.081 0.000 3.311 540 C HA 0.819 5.274 4.460 -0.007 0.000 0.325 540 C C -1.097 173.934 174.990 0.068 0.000 1.352 540 C CA -1.296 57.762 59.018 0.067 0.000 1.308 540 C CB 0.567 28.339 27.740 0.053 0.000 1.619 540 C HN 0.350 nan 8.230 nan 0.000 0.469 541 L N 0.811 122.072 121.223 0.064 0.000 2.466 541 L HA 0.750 5.086 4.340 -0.007 0.000 0.258 541 L C -1.524 175.373 176.870 0.044 0.000 0.973 541 L CA 0.017 54.890 54.840 0.055 0.000 0.826 541 L CB 2.267 44.359 42.059 0.056 0.000 1.372 541 L HN 0.945 nan 8.230 nan 0.000 0.409 542 D N 1.394 121.810 120.400 0.028 0.000 2.859 542 D HA 0.555 5.190 4.640 -0.007 0.000 0.223 542 D C -0.615 175.672 176.300 -0.021 0.000 1.218 542 D CA -0.392 53.614 54.000 0.011 0.000 0.850 542 D CB 2.041 42.860 40.800 0.032 0.000 1.656 542 D HN 0.472 nan 8.370 nan 0.000 0.484 543 I N -0.150 120.393 120.570 -0.045 0.000 3.171 543 I HA 0.342 4.508 4.170 -0.007 0.000 0.329 543 I C -0.500 175.576 176.117 -0.068 0.000 1.522 543 I CA -0.561 60.694 61.300 -0.074 0.000 0.948 543 I CB 0.895 38.834 38.000 -0.102 0.000 1.527 543 I HN 0.065 nan 8.210 nan 0.000 0.547 544 T N 5.663 120.191 114.554 -0.043 0.000 2.829 544 T HA 0.165 4.510 4.350 -0.007 0.000 0.293 544 T C -2.267 172.401 174.700 -0.054 0.000 0.970 544 T CA -0.299 61.781 62.100 -0.034 0.000 1.168 544 T CB 0.166 69.025 68.868 -0.014 0.000 0.911 544 T HN 0.315 nan 8.240 nan 0.000 0.535 545 P HA 0.260 nan 4.420 nan 0.000 0.276 545 P C -0.422 176.838 177.300 -0.067 0.000 1.264 545 P CA -0.154 62.907 63.100 -0.065 0.000 0.769 545 P CB 0.524 32.195 31.700 -0.049 0.000 0.840 552 L N 0.237 121.441 121.223 -0.032 0.000 2.356 552 L HA 0.925 5.260 4.340 -0.007 0.000 0.277 552 L C 0.308 177.143 176.870 -0.058 0.000 0.996 552 L CA -0.615 54.206 54.840 -0.033 0.000 0.822 552 L CB 1.268 43.319 42.059 -0.013 0.000 1.256 552 L HN 0.364 nan 8.230 nan 0.000 0.413 553 S N 3.086 118.736 115.700 -0.084 0.000 2.513 553 S HA 0.663 5.129 4.470 -0.007 0.000 0.276 553 S C -1.582 172.922 174.600 -0.160 0.000 1.254 553 S CA -0.941 57.187 58.200 -0.121 0.000 1.053 553 S CB 1.101 64.222 63.200 -0.132 0.000 0.958 553 S HN 0.694 nan 8.310 nan 0.000 0.491 554 P HA 0.268 nan 4.420 nan 0.000 0.249 554 P C -0.720 176.465 177.300 -0.191 0.000 1.229 554 P CA 0.361 63.365 63.100 -0.159 0.000 0.788 554 P CB 0.022 31.653 31.700 -0.116 0.000 1.072 555 L N -1.145 119.963 121.223 -0.192 0.000 2.401 555 L HA 0.499 4.835 4.340 -0.007 0.000 0.266 555 L C -0.652 176.111 176.870 -0.179 0.000 0.991 555 L CA -1.032 53.705 54.840 -0.171 0.000 0.818 555 L CB 2.527 44.509 42.059 -0.127 0.000 1.321 555 L HN -0.203 nan 8.230 nan 0.000 0.413 556 C N 2.593 121.801 119.300 -0.153 0.000 2.345 556 C HA 0.859 5.314 4.460 -0.007 0.000 0.323 556 C C 0.381 175.351 174.990 -0.033 0.000 1.276 556 C CA -0.412 58.551 59.018 -0.092 0.000 1.543 556 C CB 0.610 28.309 27.740 -0.068 0.000 2.211 556 C HN 0.876 nan 8.230 nan 0.000 0.493 557 A N 6.921 129.730 122.820 -0.019 0.000 2.290 557 A HA 0.841 5.157 4.320 -0.007 0.000 0.310 557 A C -0.590 177.008 177.584 0.024 0.000 1.202 557 A CA -0.331 51.705 52.037 -0.001 0.000 0.837 557 A CB 0.320 19.322 19.000 0.003 0.000 1.139 557 A HN 0.883 nan 8.150 nan 0.000 0.509 558 I N 1.294 121.880 120.570 0.028 0.000 2.865 558 I HA 0.578 4.743 4.170 -0.007 0.000 0.302 558 I C 0.354 176.493 176.117 0.037 0.000 1.140 558 I CA -0.745 60.582 61.300 0.044 0.000 1.021 558 I CB 2.691 40.725 38.000 0.057 0.000 1.233 558 I HN 0.733 nan 8.210 nan 0.000 0.427 559 G N 4.836 113.664 108.800 0.047 0.000 2.530 559 G HA2 0.742 4.698 3.960 -0.007 0.000 0.316 559 G HA3 0.742 4.698 3.960 -0.007 0.000 0.316 559 G C -1.167 173.768 174.900 0.058 0.000 1.298 559 G CA -0.442 44.678 45.100 0.033 0.000 0.948 559 G HN 0.380 nan 8.290 nan 0.000 0.486 560 L N 0.926 122.185 121.223 0.060 0.000 2.334 560 L HA 0.529 4.864 4.340 -0.007 0.000 0.273 560 L C -0.111 176.817 176.870 0.096 0.000 1.013 560 L CA -1.063 53.861 54.840 0.140 0.000 0.816 560 L CB 1.837 44.005 42.059 0.180 0.000 1.278 560 L HN 0.536 nan 8.230 nan 0.000 0.431 561 W N 1.298 122.608 121.300 0.017 0.000 1.979 561 W HA 0.174 4.830 4.660 -0.007 0.000 0.359 561 W C 1.665 178.099 176.519 -0.143 0.000 1.354 561 W CA 0.997 58.329 57.345 -0.022 0.000 1.359 561 W CB 0.049 29.518 29.460 0.015 0.000 1.248 561 W HN 0.737 nan 8.180 nan 0.000 0.641 562 T N -0.279 114.352 114.554 0.127 0.000 12.763 562 T HA -0.406 3.940 4.350 -0.007 0.000 0.419 562 T C 0.787 175.330 174.700 -0.262 0.000 1.443 562 T CA 2.133 64.157 62.100 -0.127 0.000 2.376 562 T CB -1.376 67.322 68.868 -0.284 0.000 2.832 562 T HN 0.771 nan 8.240 nan 0.000 0.739 563 D N 3.763 123.899 120.400 -0.441 0.000 2.339 563 D HA 0.110 4.745 4.640 -0.007 0.000 0.217 563 D C 0.967 177.203 176.300 -0.107 0.000 1.050 563 D CA 0.335 54.191 54.000 -0.240 0.000 0.856 563 D CB -0.505 40.192 40.800 -0.172 0.000 0.922 563 D HN 0.703 nan 8.370 nan 0.000 0.518 564 I N 1.501 122.012 120.570 -0.097 0.000 6.313 564 I HA -0.258 3.908 4.170 -0.007 0.000 0.126 564 I C -0.178 175.897 176.117 -0.069 0.000 1.598 564 I CA 0.428 61.681 61.300 -0.079 0.000 2.457 564 I CB -3.248 34.706 38.000 -0.076 0.000 3.027 564 I HN 0.210 nan 8.210 nan 0.000 0.280 565 S N -0.129 115.547 115.700 -0.040 0.000 2.608 565 S HA 0.895 5.360 4.470 -0.007 0.000 0.291 565 S C 0.102 174.683 174.600 -0.032 0.000 1.146 565 S CA -0.221 57.958 58.200 -0.035 0.000 1.043 565 S CB 2.896 66.095 63.200 -0.000 0.000 1.037 565 S HN 0.854 nan 8.310 nan 0.000 0.520 566 A N 2.290 125.075 122.820 -0.058 0.000 2.304 566 A HA 0.724 5.040 4.320 -0.007 0.000 0.314 566 A C -0.086 177.456 177.584 -0.069 0.000 1.187 566 A CA -0.957 51.042 52.037 -0.063 0.000 0.810 566 A CB 0.669 19.611 19.000 -0.095 0.000 1.183 566 A HN 0.824 nan 8.150 nan 0.000 0.487 567 R N 2.084 122.567 120.500 -0.029 0.000 2.740 567 R HA 0.599 4.934 4.340 -0.007 0.000 0.282 567 R C -1.144 175.148 176.300 -0.013 0.000 0.969 567 R CA -0.849 55.247 56.100 -0.006 0.000 0.918 567 R CB 1.858 32.169 30.300 0.017 0.000 1.175 567 R HN 0.551 nan 8.270 nan 0.000 0.464 568 I N 4.639 125.207 120.570 -0.003 0.000 2.355 568 I HA 0.341 4.506 4.170 -0.007 0.000 0.288 568 I C -0.176 175.941 176.117 -0.001 0.000 0.999 568 I CA -0.453 60.837 61.300 -0.017 0.000 1.163 568 I CB 1.030 39.008 38.000 -0.036 0.000 1.316 568 I HN 0.418 nan 8.210 nan 0.000 0.454 569 L N 4.842 126.061 121.223 -0.005 0.000 2.330 569 L HA 0.608 4.943 4.340 -0.007 0.000 0.271 569 L C 0.729 177.552 176.870 -0.078 0.000 1.013 569 L CA -0.976 53.864 54.840 0.001 0.000 0.816 569 L CB 1.037 43.156 42.059 0.100 0.000 1.287 569 L HN 0.625 nan 8.230 nan 0.000 0.435 570 K N 2.463 122.803 120.400 -0.100 0.000 2.237 570 K HA 0.683 4.999 4.320 -0.007 0.000 0.270 570 K C -0.763 175.639 176.600 -0.329 0.000 1.015 570 K CA -0.246 55.939 56.287 -0.169 0.000 0.949 570 K CB 0.515 32.943 32.500 -0.119 0.000 0.976 570 K HN 0.557 nan 8.250 nan 0.000 0.472 571 L N 2.986 123.981 121.223 -0.379 0.000 2.334 571 L HA 0.430 4.766 4.340 -0.007 0.000 0.276 571 L C -1.072 175.613 176.870 -0.309 0.000 1.014 571 L CA -1.993 52.510 54.840 -0.562 0.000 0.815 571 L CB 2.491 44.082 42.059 -0.780 0.000 1.268 571 L HN 0.729 nan 8.230 nan 0.000 0.428 572 P HA -0.006 nan 4.420 nan 0.000 0.236 572 P C 1.001 178.129 177.300 -0.285 0.000 1.177 572 P CA 0.414 63.408 63.100 -0.175 0.000 0.773 572 P CB 0.431 32.198 31.700 0.112 0.000 0.878 573 S N 0.032 115.607 115.700 -0.208 0.000 2.382 573 S HA -0.113 4.353 4.470 -0.007 0.000 0.228 573 S C 0.743 175.361 174.600 0.031 0.000 1.027 573 S CA 0.621 58.778 58.200 -0.073 0.000 0.991 573 S CB -1.207 61.969 63.200 -0.041 0.000 0.823 573 S HN 0.085 nan 8.310 nan 0.000 0.469 574 F N 0.729 120.641 119.950 -0.063 0.000 2.965 574 F HA -0.147 4.375 4.527 -0.007 0.000 0.287 574 F C 0.740 176.504 175.800 -0.061 0.000 0.790 574 F CA 0.329 58.287 58.000 -0.070 0.000 1.279 574 F CB -2.379 36.578 39.000 -0.071 0.000 1.409 574 F HN 0.396 nan 8.300 nan 0.000 0.446 575 E N 0.750 120.983 120.200 0.055 0.000 2.384 575 E HA 0.665 5.011 4.350 -0.007 0.000 0.266 575 E C 0.340 176.953 176.600 0.021 0.000 1.012 575 E CA 0.210 56.626 56.400 0.026 0.000 0.901 575 E CB 0.366 30.062 29.700 -0.007 0.000 0.967 575 E HN 1.302 nan 8.360 nan 0.000 0.435 576 L N 2.676 123.908 121.223 0.014 0.000 2.410 576 L HA 0.509 4.845 4.340 -0.007 0.000 0.273 576 L C 1.285 178.151 176.870 -0.007 0.000 1.144 576 L CA 0.157 55.000 54.840 0.005 0.000 0.863 576 L CB -0.557 41.498 42.059 -0.008 0.000 1.140 576 L HN 0.805 nan 8.230 nan 0.000 0.463 577 L N 1.812 123.037 121.223 0.003 0.000 2.463 577 L HA 0.321 4.656 4.340 -0.007 0.000 0.219 577 L C 0.744 177.646 176.870 0.055 0.000 1.088 577 L CA 0.186 55.033 54.840 0.012 0.000 0.849 577 L CB 0.045 42.108 42.059 0.007 0.000 1.012 577 L HN 0.891 nan 8.230 nan 0.000 0.468 578 H N 0.271 119.306 119.070 -0.059 0.000 3.153 578 H HA 0.278 4.830 4.556 -0.007 0.000 0.323 578 H C -1.655 173.622 175.328 -0.086 0.000 1.096 578 H CA -0.633 55.368 56.048 -0.077 0.000 1.385 578 H CB 2.088 31.788 29.762 -0.104 0.000 2.027 578 H HN -0.111 nan 8.280 nan 0.000 0.499 579 K N 3.230 123.559 120.400 -0.120 0.000 2.270 579 K HA 0.352 4.667 4.320 -0.007 0.000 0.255 579 K C -1.005 175.612 176.600 0.029 0.000 0.936 579 K CA -0.596 55.680 56.287 -0.018 0.000 0.809 579 K CB 1.358 33.822 32.500 -0.061 0.000 1.131 579 K HN 0.402 nan 8.250 nan 0.000 0.427 580 E N 4.012 124.227 120.200 0.025 0.000 2.185 580 E HA 0.205 4.550 4.350 -0.007 0.000 0.261 580 E C -0.955 175.616 176.600 -0.048 0.000 0.879 580 E CA -0.931 55.464 56.400 -0.009 0.000 0.756 580 E CB 1.582 31.199 29.700 -0.140 0.000 1.152 580 E HN 0.574 nan 8.360 nan 0.000 0.416 581 M N 3.208 122.785 119.600 -0.037 0.000 2.217 581 M HA 0.131 4.606 4.480 -0.007 0.000 0.352 581 M C 1.147 177.379 176.300 -0.113 0.000 1.376 581 M CA 0.274 55.539 55.300 -0.058 0.000 1.107 581 M CB 0.347 32.927 32.600 -0.035 0.000 1.723 581 M HN 0.473 nan 8.290 nan 0.000 0.461 582 L N 2.288 123.406 121.223 -0.175 0.000 2.554 582 L HA 0.359 4.694 4.340 -0.007 0.000 0.225 582 L C 0.932 177.662 176.870 -0.233 0.000 1.104 582 L CA 0.009 54.620 54.840 -0.381 0.000 0.866 582 L CB -0.471 41.303 42.059 -0.476 0.000 1.047 582 L HN 0.977 nan 8.230 nan 0.000 0.468 583 G N -0.192 108.554 108.800 -0.090 0.000 2.705 583 G HA2 0.213 4.169 3.960 -0.007 0.000 0.686 583 G HA3 0.213 4.169 3.960 -0.007 0.000 0.686 583 G C 0.127 175.036 174.900 0.015 0.000 1.285 583 G CA -0.431 44.662 45.100 -0.011 0.000 0.800 583 G HN 0.678 nan 8.290 nan 0.000 0.611 584 G N -0.589 108.223 108.800 0.019 0.000 2.615 584 G HA2 0.514 4.470 3.960 -0.007 0.000 0.218 584 G HA3 0.514 4.470 3.960 -0.007 0.000 0.218 584 G C 0.409 175.310 174.900 0.001 0.000 1.339 584 G CA 1.390 46.503 45.100 0.021 0.000 0.884 584 G HN 2.671 nan 8.290 nan 0.000 0.559 585 E N -1.440 118.760 120.200 -0.001 0.000 2.759 585 E HA 0.599 4.945 4.350 -0.007 0.000 0.220 585 E C 0.405 176.987 176.600 -0.030 0.000 0.974 585 E CA 0.648 57.042 56.400 -0.009 0.000 1.148 585 E CB 0.212 29.917 29.700 0.008 0.000 1.059 585 E HN 1.031 nan 8.360 nan 0.000 0.493 586 I N 1.397 121.943 120.570 -0.039 0.000 2.385 586 I HA 0.404 4.569 4.170 -0.007 0.000 0.294 586 I C 0.552 176.589 176.117 -0.134 0.000 0.988 586 I CA -1.262 59.992 61.300 -0.077 0.000 1.265 586 I CB 1.692 39.670 38.000 -0.036 0.000 1.388 586 I HN 0.406 nan 8.210 nan 0.000 0.480 587 I N 3.772 124.183 120.570 -0.265 0.000 2.720 587 I HA 0.495 4.660 4.170 -0.007 0.000 0.287 587 I C -2.362 173.631 176.117 -0.208 0.000 1.090 587 I CA -1.965 59.119 61.300 -0.360 0.000 1.384 587 I CB 0.316 37.818 38.000 -0.830 0.000 1.420 587 I HN 0.295 nan 8.210 nan 0.000 0.575 588 P HA 0.184 nan 4.420 nan 0.000 0.268 588 P C -0.017 177.238 177.300 -0.074 0.000 1.204 588 P CA 0.105 63.175 63.100 -0.051 0.000 0.768 588 P CB 0.882 32.571 31.700 -0.017 0.000 0.842 589 R N 1.239 121.728 120.500 -0.019 0.000 2.164 589 R HA 0.519 4.855 4.340 -0.007 0.000 0.198 589 R C 1.369 177.689 176.300 0.035 0.000 1.028 589 R CA 1.531 57.624 56.100 -0.013 0.000 1.083 589 R CB -0.981 29.314 30.300 -0.009 0.000 1.026 589 R HN 0.643 nan 8.270 nan 0.000 0.514 590 S N -0.497 115.239 115.700 0.061 0.000 2.568 590 S HA 0.851 5.316 4.470 -0.007 0.000 0.293 590 S C -0.655 174.007 174.600 0.102 0.000 1.089 590 S CA -0.608 57.645 58.200 0.088 0.000 0.945 590 S CB 1.182 64.443 63.200 0.102 0.000 1.077 590 S HN 0.582 nan 8.310 nan 0.000 0.485 591 I N 1.425 122.058 120.570 0.105 0.000 2.752 591 I HA 0.790 4.955 4.170 -0.007 0.000 0.295 591 I C -2.296 173.885 176.117 0.107 0.000 1.219 591 I CA -0.965 60.402 61.300 0.112 0.000 1.030 591 I CB 2.016 40.068 38.000 0.088 0.000 1.259 591 I HN 0.689 nan 8.210 nan 0.000 0.423 592 L N 7.175 128.468 121.223 0.117 0.000 2.611 592 L HA 0.537 4.873 4.340 -0.007 0.000 0.260 592 L C -1.750 175.181 176.870 0.102 0.000 0.924 592 L CA -0.205 54.696 54.840 0.102 0.000 0.901 592 L CB 2.082 44.209 42.059 0.114 0.000 1.369 592 L HN 0.563 nan 8.230 nan 0.000 0.415 593 M N 3.506 123.143 119.600 0.062 0.000 2.264 593 M HA 0.650 5.126 4.480 -0.007 0.000 0.352 593 M C -0.266 176.047 176.300 0.023 0.000 1.173 593 M CA -0.303 55.031 55.300 0.056 0.000 1.075 593 M CB 1.832 34.440 32.600 0.013 0.000 1.621 593 M HN 0.696 nan 8.290 nan 0.000 0.457 594 T N 1.099 115.674 114.554 0.034 0.000 2.932 594 T HA 0.446 4.791 4.350 -0.007 0.000 0.318 594 T C -1.233 173.436 174.700 -0.051 0.000 1.265 594 T CA -0.523 61.511 62.100 -0.111 0.000 1.036 594 T CB 1.694 70.364 68.868 -0.329 0.000 1.209 594 T HN 0.653 nan 8.240 nan 0.000 0.484 595 T N 4.127 118.597 114.554 -0.139 0.000 2.771 595 T HA 0.664 5.010 4.350 -0.007 0.000 0.281 595 T C -1.243 173.334 174.700 -0.205 0.000 0.982 595 T CA -0.242 61.856 62.100 -0.004 0.000 0.978 595 T CB 0.118 69.057 68.868 0.118 0.000 0.930 595 T HN 0.363 nan 8.240 nan 0.000 0.447 596 F N 2.451 122.492 119.950 0.150 0.000 2.477 596 F HA 0.595 5.118 4.527 -0.007 0.000 0.335 596 F C 0.987 176.822 175.800 0.058 0.000 1.130 596 F CA -0.056 57.979 58.000 0.058 0.000 0.948 596 F CB 0.565 39.553 39.000 -0.019 0.000 1.154 596 F HN 0.931 nan 8.300 nan 0.000 0.439 597 E N 0.840 121.155 120.200 0.192 0.000 3.130 597 E HA -0.316 4.029 4.350 -0.007 0.000 0.381 597 E C 0.628 177.272 176.600 0.073 0.000 1.488 597 E CA 1.752 58.209 56.400 0.094 0.000 1.362 597 E CB -1.776 27.955 29.700 0.051 0.000 1.656 597 E HN 0.538 nan 8.360 nan 0.000 0.504 598 S N 0.251 115.988 115.700 0.062 0.000 2.809 598 S HA 0.565 5.030 4.470 -0.007 0.000 0.248 598 S C -0.213 174.257 174.600 -0.217 0.000 1.071 598 S CA 0.600 58.773 58.200 -0.046 0.000 1.059 598 S CB 0.743 63.944 63.200 0.002 0.000 0.923 598 S HN 0.872 nan 8.310 nan 0.000 0.516 599 S N 1.929 117.532 115.700 -0.161 0.000 2.536 599 S HA 0.578 5.043 4.470 -0.007 0.000 0.298 599 S C -1.303 173.125 174.600 -0.287 0.000 1.083 599 S CA -0.565 57.468 58.200 -0.278 0.000 0.995 599 S CB 0.573 63.755 63.200 -0.031 0.000 1.058 599 S HN 0.437 nan 8.310 nan 0.000 0.488 600 H N 2.265 121.257 119.070 -0.130 0.000 2.469 600 H HA 0.478 5.029 4.556 -0.007 0.000 0.342 600 H C -1.320 173.889 175.328 -0.197 0.000 1.115 600 H CA -0.150 55.863 56.048 -0.058 0.000 1.204 600 H CB 0.945 30.675 29.762 -0.052 0.000 1.492 600 H HN 0.581 nan 8.280 nan 0.000 0.499 601 Y N 0.652 121.081 120.300 0.215 0.000 2.553 601 Y HA 0.247 4.792 4.550 -0.008 0.000 0.347 601 Y C -0.427 175.593 175.900 0.200 0.000 1.019 601 Y CA -1.080 57.161 58.100 0.236 0.000 1.032 601 Y CB 2.123 40.768 38.460 0.309 0.000 1.284 601 Y HN 0.369 nan 8.280 nan 0.000 0.466 602 L N 2.982 124.450 121.223 0.408 0.000 2.289 602 L HA 0.576 4.911 4.340 -0.007 0.000 0.285 602 L C -1.586 175.580 176.870 0.494 0.000 1.049 602 L CA -0.404 54.645 54.840 0.349 0.000 0.804 602 L CB 0.576 42.759 42.059 0.207 0.000 1.195 602 L HN 0.474 nan 8.230 nan 0.000 0.428 603 L N 5.427 126.872 121.223 0.370 0.000 2.322 603 L HA 0.548 4.883 4.340 -0.007 0.000 0.281 603 L C -0.817 176.242 176.870 0.316 0.000 1.014 603 L CA -0.083 54.977 54.840 0.365 0.000 0.815 603 L CB 1.610 43.830 42.059 0.268 0.000 1.247 603 L HN 0.729 nan 8.230 nan 0.000 0.421 604 C N 3.670 123.186 119.300 0.361 0.000 2.522 604 C HA 0.865 5.321 4.460 -0.007 0.000 0.344 604 C C -0.096 175.069 174.990 0.292 0.000 1.104 604 C CA -0.634 58.567 59.018 0.304 0.000 1.317 604 C CB 0.053 27.986 27.740 0.321 0.000 1.896 604 C HN 0.928 nan 8.230 nan 0.000 0.443 605 A N 6.706 129.643 122.820 0.195 0.000 2.290 605 A HA 0.761 5.076 4.320 -0.007 0.000 0.310 605 A C -0.432 177.221 177.584 0.115 0.000 1.202 605 A CA -0.376 51.748 52.037 0.146 0.000 0.837 605 A CB 0.534 19.594 19.000 0.100 0.000 1.139 605 A HN 0.930 nan 8.150 nan 0.000 0.509 606 L N 1.805 123.094 121.223 0.111 0.000 2.448 606 L HA 0.397 4.733 4.340 -0.007 0.000 0.258 606 L C 1.808 178.687 176.870 0.015 0.000 1.104 606 L CA -0.242 54.639 54.840 0.069 0.000 0.800 606 L CB 0.872 42.998 42.059 0.113 0.000 1.241 606 L HN 0.878 nan 8.230 nan 0.000 0.472 607 G N -0.384 108.403 108.800 -0.021 0.000 2.559 607 G HA2 -0.189 3.767 3.960 -0.007 0.000 0.216 607 G HA3 -0.189 3.767 3.960 -0.007 0.000 0.216 607 G C 0.763 175.651 174.900 -0.020 0.000 1.126 607 G CA 0.603 45.683 45.100 -0.034 0.000 0.778 607 G HN 0.837 nan 8.290 nan 0.000 0.543 608 D N -1.545 118.848 120.400 -0.012 0.000 2.369 608 D HA 0.226 4.861 4.640 -0.007 0.000 0.211 608 D C 1.628 177.914 176.300 -0.023 0.000 1.077 608 D CA 0.708 54.700 54.000 -0.014 0.000 0.842 608 D CB -0.177 40.618 40.800 -0.008 0.000 0.947 608 D HN 0.412 nan 8.370 nan 0.000 0.509 609 G N -0.171 108.614 108.800 -0.024 0.000 2.231 609 G HA2 -0.074 3.881 3.960 -0.007 0.000 0.206 609 G HA3 -0.074 3.881 3.960 -0.007 0.000 0.206 609 G C 0.489 175.351 174.900 -0.063 0.000 0.996 609 G CA 0.018 45.094 45.100 -0.040 0.000 0.645 609 G HN 0.742 nan 8.290 nan 0.000 0.498 610 A N 1.159 123.939 122.820 -0.067 0.000 2.425 610 A HA 0.655 4.970 4.320 -0.007 0.000 0.249 610 A C 0.162 177.676 177.584 -0.117 0.000 1.084 610 A CA 0.231 52.179 52.037 -0.147 0.000 0.781 610 A CB 0.707 19.602 19.000 -0.174 0.000 1.019 610 A HN 1.192 nan 8.150 nan 0.000 0.490 611 L N 3.443 124.547 121.223 -0.199 0.000 2.343 611 L HA 0.598 4.933 4.340 -0.007 0.000 0.278 611 L C -1.669 175.135 176.870 -0.110 0.000 0.996 611 L CA -0.285 54.530 54.840 -0.041 0.000 0.831 611 L CB 0.819 42.886 42.059 0.014 0.000 1.232 611 L HN 0.685 nan 8.230 nan 0.000 0.413 612 F N 5.352 125.380 119.950 0.130 0.000 2.399 612 F HA 0.541 5.064 4.527 -0.007 0.000 0.334 612 F C -0.009 175.888 175.800 0.162 0.000 1.097 612 F CA -0.259 57.764 58.000 0.039 0.000 1.076 612 F CB 1.341 40.367 39.000 0.044 0.000 1.162 612 F HN 0.447 nan 8.300 nan 0.000 0.495 613 Y N 0.151 120.404 120.300 -0.079 0.000 2.562 613 Y HA 0.815 5.360 4.550 -0.007 0.000 0.345 613 Y C -2.088 173.674 175.900 -0.230 0.000 1.045 613 Y CA -2.149 55.975 58.100 0.041 0.000 1.028 613 Y CB 1.456 40.016 38.460 0.166 0.000 1.297 613 Y HN 0.403 nan 8.280 nan 0.000 0.463 614 F N 0.620 120.760 119.950 0.317 0.000 2.601 614 F HA 0.710 5.232 4.527 -0.007 0.000 0.309 614 F C 0.554 176.470 175.800 0.193 0.000 1.089 614 F CA -1.208 56.880 58.000 0.146 0.000 0.940 614 F CB 2.249 41.277 39.000 0.046 0.000 1.273 614 F HN 0.913 nan 8.300 nan 0.000 0.450 615 G N 1.150 110.065 108.800 0.192 0.000 2.527 615 G HA2 0.471 4.427 3.960 -0.007 0.000 0.248 615 G HA3 0.471 4.427 3.960 -0.007 0.000 0.248 615 G C -1.658 173.240 174.900 -0.004 0.000 1.231 615 G CA -0.209 44.847 45.100 -0.073 0.000 0.838 615 G HN 0.647 nan 8.290 nan 0.000 0.570 616 L N 0.205 121.396 121.223 -0.054 0.000 2.431 616 L HA 0.695 5.030 4.340 -0.007 0.000 0.266 616 L C -0.113 176.755 176.870 -0.003 0.000 0.978 616 L CA -0.496 54.331 54.840 -0.021 0.000 0.822 616 L CB 1.512 43.579 42.059 0.014 0.000 1.310 616 L HN 0.657 nan 8.230 nan 0.000 0.409 617 N N 4.297 122.982 118.700 -0.025 0.000 2.422 617 N HA 0.430 5.165 4.740 -0.007 0.000 0.266 617 N C 0.943 176.427 175.510 -0.044 0.000 1.007 617 N CA -0.160 52.885 53.050 -0.009 0.000 0.941 617 N CB 0.515 38.994 38.487 -0.013 0.000 1.115 617 N HN 0.820 nan 8.380 nan 0.000 0.492 618 I N 0.893 121.419 120.570 -0.073 0.000 2.118 618 I HA -0.261 3.904 4.170 -0.007 0.000 0.241 618 I C 3.091 179.157 176.117 -0.085 0.000 1.070 618 I CA 2.388 63.609 61.300 -0.132 0.000 1.327 618 I CB -0.319 37.572 38.000 -0.182 0.000 1.034 618 I HN 0.783 nan 8.210 nan 0.000 0.405 619 E N 0.417 120.584 120.200 -0.055 0.000 2.072 619 E HA -0.159 4.186 4.350 -0.007 0.000 0.190 619 E C 2.194 178.772 176.600 -0.036 0.000 0.982 619 E CA 1.835 58.209 56.400 -0.043 0.000 0.803 619 E CB -1.494 28.189 29.700 -0.029 0.000 0.755 619 E HN 0.667 nan 8.360 nan 0.000 0.453 620 T N -1.824 112.713 114.554 -0.028 0.000 2.894 620 T HA 0.379 4.725 4.350 -0.007 0.000 0.258 620 T C 2.271 176.962 174.700 -0.014 0.000 1.043 620 T CA 2.295 64.385 62.100 -0.016 0.000 1.141 620 T CB -0.183 68.682 68.868 -0.006 0.000 0.873 620 T HN 1.484 nan 8.240 nan 0.000 0.449 621 G N -0.840 107.942 108.800 -0.030 0.000 2.179 621 G HA2 0.227 4.183 3.960 -0.007 0.000 0.260 621 G HA3 0.227 4.183 3.960 -0.007 0.000 0.260 621 G C 0.484 175.362 174.900 -0.037 0.000 0.977 621 G CA 0.452 45.532 45.100 -0.033 0.000 0.641 621 G HN 1.498 nan 8.290 nan 0.000 0.533 622 L N 0.925 122.131 121.223 -0.028 0.000 2.410 622 L HA 0.819 5.154 4.340 -0.007 0.000 0.273 622 L C 0.881 177.603 176.870 -0.247 0.000 1.152 622 L CA -0.296 54.517 54.840 -0.046 0.000 0.855 622 L CB 0.307 42.388 42.059 0.037 0.000 1.129 622 L HN 0.383 nan 8.230 nan 0.000 0.463 623 L N 4.187 125.016 121.223 -0.658 0.000 2.282 623 L HA 0.699 5.034 4.340 -0.007 0.000 0.288 623 L C 0.543 177.316 176.870 -0.162 0.000 1.033 623 L CA -0.485 54.047 54.840 -0.512 0.000 0.807 623 L CB 1.423 42.891 42.059 -0.985 0.000 1.209 623 L HN 0.934 nan 8.230 nan 0.000 0.423 624 S N 0.927 116.663 115.700 0.060 0.000 2.599 624 S HA 0.680 5.146 4.470 -0.007 0.000 0.294 624 S C -0.948 173.740 174.600 0.147 0.000 1.094 624 S CA -0.877 57.386 58.200 0.104 0.000 0.931 624 S CB 2.439 65.660 63.200 0.035 0.000 1.093 624 S HN 0.721 nan 8.310 nan 0.000 0.488 628 K N 0.603 120.775 120.400 -0.379 0.000 2.395 628 K HA 0.896 5.211 4.320 -0.007 0.000 0.247 628 K C -1.470 174.977 176.600 -0.255 0.000 0.973 628 K CA -0.682 55.352 56.287 -0.420 0.000 0.828 628 K CB 2.345 34.466 32.500 -0.632 0.000 1.272 628 K HN 0.397 nan 8.250 nan 0.000 0.439 629 V N 0.426 120.162 119.914 -0.297 0.000 3.120 629 V HA 0.808 4.923 4.120 -0.007 0.000 0.303 629 V C -0.886 175.018 176.094 -0.317 0.000 1.238 629 V CA 0.337 62.431 62.300 -0.344 0.000 1.008 629 V CB 2.405 33.837 31.823 -0.651 0.000 1.064 629 V HN 1.493 nan 8.190 nan 0.000 0.434 630 T N 3.968 118.363 114.554 -0.266 0.000 2.797 630 T HA 0.754 5.099 4.350 -0.007 0.000 0.279 630 T C -0.831 173.759 174.700 -0.184 0.000 0.991 630 T CA -0.550 61.431 62.100 -0.198 0.000 0.979 630 T CB 1.026 69.807 68.868 -0.144 0.000 0.943 630 T HN 0.734 nan 8.240 nan 0.000 0.444 631 L N 3.455 124.594 121.223 -0.141 0.000 2.462 631 L HA 0.705 5.040 4.340 -0.007 0.000 0.255 631 L C 0.808 177.634 176.870 -0.073 0.000 1.076 631 L CA -0.704 54.071 54.840 -0.107 0.000 0.920 631 L CB 0.451 42.459 42.059 -0.085 0.000 1.214 631 L HN 1.282 nan 8.230 nan 0.000 0.472 632 G N 1.298 110.057 108.800 -0.068 0.000 2.710 632 G HA2 -0.193 3.763 3.960 -0.007 0.000 0.668 632 G HA3 -0.193 3.763 3.960 -0.007 0.000 0.668 632 G C 0.286 175.157 174.900 -0.048 0.000 1.320 632 G CA -0.058 45.010 45.100 -0.052 0.000 0.860 632 G HN 0.586 nan 8.290 nan 0.000 0.538 633 T N -3.769 110.762 114.554 -0.038 0.000 2.955 633 T HA 0.639 4.984 4.350 -0.007 0.000 0.251 633 T C 1.377 176.062 174.700 -0.026 0.000 1.002 633 T CA 1.894 63.975 62.100 -0.031 0.000 0.970 633 T CB -0.126 68.727 68.868 -0.026 0.000 1.091 633 T HN 2.052 nan 8.240 nan 0.000 0.495 634 Q N 2.628 122.412 119.800 -0.027 0.000 2.417 634 Q HA 0.534 4.870 4.340 -0.007 0.000 0.241 634 Q C -2.711 173.273 176.000 -0.028 0.000 1.008 634 Q CA -2.222 53.565 55.803 -0.026 0.000 0.901 634 Q CB -1.066 27.652 28.738 -0.032 0.000 1.259 634 Q HN 0.381 nan 8.270 nan 0.000 0.489 635 P HA 0.082 nan 4.420 nan 0.000 0.265 635 P C -0.695 176.589 177.300 -0.027 0.000 1.193 635 P CA 0.203 63.291 63.100 -0.021 0.000 0.765 635 P CB 0.403 32.093 31.700 -0.017 0.000 0.823 636 T N 2.398 116.948 114.554 -0.007 0.000 2.845 636 T HA 0.306 4.651 4.350 -0.007 0.000 0.288 636 T C 0.210 174.924 174.700 0.023 0.000 0.980 636 T CA -0.384 61.718 62.100 0.004 0.000 1.071 636 T CB 0.724 69.607 68.868 0.026 0.000 0.941 636 T HN 0.093 nan 8.240 nan 0.000 0.487 637 V N 4.944 124.868 119.914 0.016 0.000 2.398 637 V HA 0.409 4.524 4.120 -0.007 0.000 0.286 637 V C -0.184 175.974 176.094 0.107 0.000 1.026 637 V CA -0.821 61.510 62.300 0.053 0.000 0.868 637 V CB 1.136 32.961 31.823 0.003 0.000 0.982 637 V HN 0.702 nan 8.190 nan 0.000 0.443 638 L N 6.290 127.594 121.223 0.134 0.000 2.282 638 L HA 0.701 5.036 4.340 -0.007 0.000 0.288 638 L C 0.066 177.046 176.870 0.182 0.000 1.033 638 L CA -0.514 54.427 54.840 0.168 0.000 0.807 638 L CB 1.057 43.211 42.059 0.158 0.000 1.209 638 L HN 0.425 nan 8.230 nan 0.000 0.423 639 R N 1.494 122.131 120.500 0.228 0.000 2.575 639 R HA 0.446 4.782 4.340 -0.007 0.000 0.293 639 R C -0.795 175.677 176.300 0.287 0.000 0.983 639 R CA -0.707 55.526 56.100 0.221 0.000 0.887 639 R CB 2.290 32.691 30.300 0.168 0.000 1.184 639 R HN 0.520 nan 8.270 nan 0.000 0.445 640 T N 4.140 118.826 114.554 0.219 0.000 2.913 640 T HA 0.496 4.842 4.350 -0.007 0.000 0.297 640 T C -0.057 174.820 174.700 0.296 0.000 1.029 640 T CA 0.165 62.379 62.100 0.189 0.000 1.104 640 T CB 0.162 69.070 68.868 0.067 0.000 0.964 640 T HN 0.464 nan 8.240 nan 0.000 0.532 641 F N -0.374 119.630 119.950 0.090 0.000 2.668 641 F HA 0.719 5.241 4.527 -0.008 0.000 0.309 641 F C -0.941 174.902 175.800 0.071 0.000 1.117 641 F CA -1.537 56.506 58.000 0.072 0.000 0.951 641 F CB 1.492 40.533 39.000 0.070 0.000 1.323 641 F HN 0.223 nan 8.300 nan 0.000 0.451 642 R N 1.953 122.507 120.500 0.091 0.000 2.514 642 R HA 0.863 5.199 4.340 -0.007 0.000 0.301 642 R C -0.612 175.747 176.300 0.098 0.000 0.962 642 R CA -0.333 55.761 56.100 -0.008 0.000 0.882 642 R CB 1.418 31.735 30.300 0.029 0.000 1.143 642 R HN 1.140 nan 8.270 nan 0.000 0.452 646 T N 1.289 115.846 114.554 0.006 0.000 2.940 646 T HA 0.694 5.039 4.350 -0.007 0.000 0.288 646 T C -0.116 174.561 174.700 -0.039 0.000 1.045 646 T CA -0.074 62.029 62.100 0.004 0.000 1.018 646 T CB 1.098 69.979 68.868 0.023 0.000 1.151 646 T HN 0.345 nan 8.240 nan 0.000 0.529 647 T N 2.649 117.192 114.554 -0.017 0.000 2.897 647 T HA 0.550 4.895 4.350 -0.007 0.000 0.294 647 T C -0.380 174.314 174.700 -0.009 0.000 1.004 647 T CA -0.061 61.992 62.100 -0.079 0.000 1.106 647 T CB 0.019 68.804 68.868 -0.139 0.000 0.949 647 T HN 0.651 nan 8.240 nan 0.000 0.520 648 N N 0.376 118.934 118.700 -0.238 0.000 2.329 648 N HA 0.592 5.328 4.740 -0.007 0.000 0.282 648 N C -1.651 173.771 175.510 -0.146 0.000 1.198 648 N CA -0.773 52.148 53.050 -0.215 0.000 0.790 648 N CB 1.930 39.883 38.487 -0.890 0.000 1.579 648 N HN 0.275 nan 8.380 nan 0.000 0.475 649 V N 1.603 121.620 119.914 0.172 0.000 2.409 649 V HA 0.383 4.498 4.120 -0.007 0.000 0.291 649 V C -0.909 175.423 176.094 0.397 0.000 1.020 649 V CA -0.651 61.815 62.300 0.277 0.000 0.848 649 V CB 0.851 32.828 31.823 0.256 0.000 0.990 649 V HN 0.600 nan 8.190 nan 0.000 0.430 650 F N 4.107 124.312 119.950 0.424 0.000 2.444 650 F HA 0.568 5.090 4.527 -0.008 0.000 0.360 650 F C 0.783 176.668 175.800 0.142 0.000 1.106 650 F CA -0.265 57.898 58.000 0.272 0.000 1.170 650 F CB 0.775 39.852 39.000 0.128 0.000 1.113 650 F HN 0.574 nan 8.300 nan 0.000 0.521 651 A N 6.327 129.164 122.820 0.028 0.000 2.478 651 A HA 0.363 4.678 4.320 -0.007 0.000 0.327 651 A C -0.491 177.125 177.584 0.055 0.000 1.431 651 A CA -0.528 51.545 52.037 0.061 0.000 1.014 651 A CB -0.716 18.298 19.000 0.023 0.000 1.143 651 A HN 0.826 nan 8.150 nan 0.000 0.532 652 C N 3.245 122.658 119.300 0.189 0.000 2.624 652 C HA 0.579 5.034 4.460 -0.007 0.000 0.397 652 C C 1.259 176.255 174.990 0.011 0.000 1.331 652 C CA 0.541 59.649 59.018 0.150 0.000 1.716 652 C CB -1.802 25.966 27.740 0.048 0.000 2.452 652 C HN 1.042 nan 8.230 nan 0.000 0.586 653 S N 1.831 117.531 115.700 0.001 0.000 2.714 653 S HA 0.296 4.762 4.470 -0.007 0.000 0.280 653 S C 0.424 175.007 174.600 -0.029 0.000 1.200 653 S CA -0.017 58.162 58.200 -0.035 0.000 0.900 653 S CB 0.511 63.690 63.200 -0.035 0.000 1.235 653 S HN 0.622 nan 8.310 nan 0.000 0.512 654 D N 0.025 120.406 120.400 -0.033 0.000 2.351 654 D HA 0.014 4.649 4.640 -0.007 0.000 0.216 654 D C 0.914 177.197 176.300 -0.029 0.000 0.968 654 D CA 1.307 55.290 54.000 -0.027 0.000 0.899 654 D CB -0.507 40.277 40.800 -0.026 0.000 0.907 654 D HN 0.859 nan 8.370 nan 0.000 0.514 655 R N 1.138 121.617 120.500 -0.036 0.000 2.629 655 R HA 0.389 4.724 4.340 -0.007 0.000 0.277 655 R C -2.824 173.440 176.300 -0.060 0.000 1.637 655 R CA -1.539 54.534 56.100 -0.045 0.000 1.663 655 R CB -0.521 29.748 30.300 -0.051 0.000 1.228 655 R HN 0.174 nan 8.270 nan 0.000 0.632 656 P HA 0.249 nan 4.420 nan 0.000 0.267 656 P C -0.599 176.566 177.300 -0.225 0.000 1.200 656 P CA 0.481 63.509 63.100 -0.120 0.000 0.772 656 P CB 1.249 32.932 31.700 -0.029 0.000 0.855 657 T N 0.893 115.219 114.554 -0.380 0.000 3.105 657 T HA 0.261 4.606 4.350 -0.007 0.000 0.321 657 T C -0.533 173.950 174.700 -0.363 0.000 1.135 657 T CA -0.456 61.489 62.100 -0.258 0.000 1.053 657 T CB 1.102 69.928 68.868 -0.071 0.000 1.133 657 T HN 0.052 nan 8.240 nan 0.000 0.463 658 V N 3.973 123.752 119.914 -0.225 0.000 2.509 658 V HA 0.513 4.628 4.120 -0.007 0.000 0.284 658 V C -0.020 176.081 176.094 0.011 0.000 1.047 658 V CA -0.669 61.587 62.300 -0.074 0.000 0.952 658 V CB 1.097 32.928 31.823 0.015 0.000 0.988 658 V HN 0.739 nan 8.190 nan 0.000 0.469 659 I N 6.168 126.717 120.570 -0.035 0.000 2.354 659 I HA 0.569 4.735 4.170 -0.007 0.000 0.292 659 I C -0.351 175.570 176.117 -0.327 0.000 0.989 659 I CA -0.336 60.760 61.300 -0.340 0.000 1.188 659 I CB 0.876 38.657 38.000 -0.364 0.000 1.342 659 I HN 0.798 nan 8.210 nan 0.000 0.457 660 Y N 3.119 122.903 120.300 -0.859 0.000 2.896 660 Y HA 0.782 5.327 4.550 -0.008 0.000 0.317 660 Y C -0.545 174.743 175.900 -1.020 0.000 1.444 660 Y CA -1.039 56.532 58.100 -0.882 0.000 1.084 660 Y CB 1.390 39.608 38.460 -0.404 0.000 1.382 660 Y HN 0.390 nan 8.280 nan 0.000 0.471 664 H N 0.513 119.555 119.070 -0.047 0.000 2.651 664 H HA 0.333 4.884 4.556 -0.008 0.000 0.241 664 H C -0.812 174.524 175.328 0.013 0.000 1.225 664 H CA 0.226 56.269 56.048 -0.010 0.000 0.942 664 H CB 0.625 30.387 29.762 0.001 0.000 1.996 664 H HN 0.527 nan 8.280 nan 0.000 0.600 665 K N 0.238 120.638 120.400 0.000 0.000 2.513 665 K HA 0.681 4.997 4.320 -0.007 0.000 0.251 665 K C -0.271 176.179 176.600 -0.250 0.000 0.939 665 K CA -0.122 56.151 56.287 -0.023 0.000 0.793 665 K CB 0.351 32.848 32.500 -0.006 0.000 1.241 665 K HN 0.243 nan 8.250 nan 0.000 0.431 666 L N 1.596 122.617 121.223 -0.338 0.000 2.601 666 L HA 0.535 4.871 4.340 -0.007 0.000 0.277 666 L C 0.534 176.954 176.870 -0.749 0.000 1.219 666 L CA -0.079 54.296 54.840 -0.775 0.000 0.915 666 L CB -0.594 40.869 42.059 -0.994 0.000 1.160 666 L HN 0.675 nan 8.230 nan 0.000 0.494 667 V N 2.669 121.939 119.914 -1.073 0.000 2.850 667 V HA 0.801 4.916 4.120 -0.007 0.000 0.315 667 V C -0.341 175.067 176.094 -1.143 0.000 1.064 667 V CA -0.627 61.106 62.300 -0.945 0.000 0.979 667 V CB 1.572 32.682 31.823 -1.188 0.000 1.039 667 V HN 0.746 nan 8.190 nan 0.000 0.452 668 F N 1.128 120.886 119.950 -0.321 0.000 2.536 668 F HA 0.748 5.271 4.527 -0.007 0.000 0.322 668 F C 0.390 176.179 175.800 -0.017 0.000 1.144 668 F CA -0.216 57.694 58.000 -0.150 0.000 0.924 668 F CB 1.858 40.756 39.000 -0.170 0.000 1.181 668 F HN 0.588 nan 8.300 nan 0.000 0.438 669 S N 2.436 118.257 115.700 0.203 0.000 2.614 669 S HA 0.538 5.003 4.470 -0.007 0.000 0.288 669 S C -0.578 174.040 174.600 0.029 0.000 1.137 669 S CA -1.060 57.221 58.200 0.134 0.000 0.992 669 S CB 0.671 63.985 63.200 0.189 0.000 1.026 669 S HN 0.493 nan 8.310 nan 0.000 0.486 670 N N 1.592 120.293 118.700 0.001 0.000 2.412 670 N HA 0.184 4.919 4.740 -0.007 0.000 0.258 670 N C -0.206 175.269 175.510 -0.059 0.000 1.236 670 N CA 0.048 53.074 53.050 -0.040 0.000 0.882 670 N CB 0.914 39.381 38.487 -0.033 0.000 1.066 670 N HN 0.438 nan 8.380 nan 0.000 0.465 671 V N 2.874 122.727 119.914 -0.101 0.000 2.546 671 V HA 0.095 4.210 4.120 -0.007 0.000 0.284 671 V C 0.823 176.892 176.094 -0.041 0.000 1.050 671 V CA -0.657 61.594 62.300 -0.082 0.000 0.981 671 V CB 0.918 32.665 31.823 -0.126 0.000 0.990 671 V HN 0.514 nan 8.190 nan 0.000 0.474 672 N N 5.118 123.801 118.700 -0.028 0.000 3.091 672 N HA 0.312 5.048 4.740 -0.007 0.000 0.301 672 N C -0.652 174.849 175.510 -0.015 0.000 1.325 672 N CA 0.219 53.254 53.050 -0.024 0.000 1.143 672 N CB -0.169 38.298 38.487 -0.033 0.000 1.450 672 N HN 0.527 nan 8.380 nan 0.000 0.542 673 L N -0.410 120.811 121.223 -0.003 0.000 2.323 673 L HA 0.437 4.773 4.340 -0.007 0.000 0.265 673 L C 1.567 178.436 176.870 -0.001 0.000 1.012 673 L CA -0.672 54.169 54.840 0.003 0.000 0.820 673 L CB 1.198 43.273 42.059 0.027 0.000 1.334 673 L HN 0.000 nan 8.230 nan 0.000 0.427 674 K N 0.974 121.373 120.400 -0.003 0.000 2.031 674 K HA 0.076 4.391 4.320 -0.007 0.000 0.205 674 K C 0.665 177.262 176.600 -0.005 0.000 1.049 674 K CA 1.396 57.679 56.287 -0.006 0.000 0.939 674 K CB 0.045 32.541 32.500 -0.006 0.000 0.717 674 K HN 0.755 nan 8.250 nan 0.000 0.438 675 E N -1.247 118.953 120.200 -0.000 0.000 2.363 675 E HA 0.497 4.842 4.350 -0.007 0.000 0.281 675 E C -2.102 174.500 176.600 0.003 0.000 0.953 675 E CA -0.676 55.722 56.400 -0.003 0.000 0.778 675 E CB 2.484 32.176 29.700 -0.014 0.000 1.220 675 E HN 0.001 nan 8.360 nan 0.000 0.431 676 V N 4.163 124.082 119.914 0.008 0.000 2.569 676 V HA 0.283 4.399 4.120 -0.007 0.000 0.301 676 V C 0.241 176.281 176.094 -0.090 0.000 1.044 676 V CA -0.785 61.511 62.300 -0.006 0.000 0.874 676 V CB 1.660 33.548 31.823 0.108 0.000 1.002 676 V HN 0.706 nan 8.190 nan 0.000 0.424 677 N N 2.503 121.091 118.700 -0.187 0.000 2.387 677 N HA 0.136 4.871 4.740 -0.007 0.000 0.176 677 N C -0.560 174.407 175.510 -0.905 0.000 1.022 677 N CA 1.085 53.838 53.050 -0.494 0.000 0.883 677 N CB 0.478 38.708 38.487 -0.429 0.000 1.019 677 N HN 0.680 nan 8.380 nan 0.000 0.435 678 Y N -0.457 119.783 120.300 -0.100 0.000 2.581 678 Y HA 0.433 4.978 4.550 -0.007 0.000 0.337 678 Y C -0.415 175.338 175.900 -0.245 0.000 1.108 678 Y CA -1.406 56.594 58.100 -0.167 0.000 1.033 678 Y CB 1.463 39.785 38.460 -0.232 0.000 1.318 678 Y HN -0.150 nan 8.280 nan 0.000 0.459 679 M N 1.545 121.054 119.600 -0.152 0.000 2.644 679 M HA 0.893 5.369 4.480 -0.007 0.000 0.273 679 M C -1.531 174.617 176.300 -0.254 0.000 1.253 679 M CA -1.042 54.074 55.300 -0.307 0.000 0.852 679 M CB 1.744 33.960 32.600 -0.641 0.000 1.708 679 M HN 0.779 nan 8.290 nan 0.000 0.471 680 C N -1.110 118.039 119.300 -0.252 0.000 3.239 680 C HA 0.998 5.454 4.460 -0.007 0.000 0.317 680 C C -2.889 172.019 174.990 -0.136 0.000 1.310 680 C CA -1.329 57.595 59.018 -0.157 0.000 1.371 680 C CB 1.967 29.617 27.740 -0.150 0.000 1.714 680 C HN 0.966 nan 8.230 nan 0.000 0.473 681 P HA 0.444 nan 4.420 nan 0.000 0.274 681 P C -1.168 176.131 177.300 -0.003 0.000 1.231 681 P CA 0.050 63.147 63.100 -0.004 0.000 0.790 681 P CB 1.111 32.874 31.700 0.105 0.000 0.951 682 L N 2.468 123.690 121.223 -0.001 0.000 2.568 682 L HA 0.404 4.740 4.340 -0.007 0.000 0.262 682 L C -0.905 175.976 176.870 0.018 0.000 0.980 682 L CA -0.411 54.431 54.840 0.003 0.000 0.882 682 L CB 0.759 42.807 42.059 -0.017 0.000 1.198 682 L HN 0.166 nan 8.230 nan 0.000 0.425 683 N N 2.312 121.028 118.700 0.026 0.000 3.234 683 N HA 0.279 5.015 4.740 -0.007 0.000 0.272 683 N C -0.460 175.062 175.510 0.019 0.000 1.254 683 N CA 0.220 53.287 53.050 0.027 0.000 1.087 683 N CB 0.491 38.999 38.487 0.034 0.000 1.356 683 N HN 0.593 nan 8.380 nan 0.000 0.511 684 S N 0.326 116.034 115.700 0.014 0.000 2.681 684 S HA 0.199 4.665 4.470 -0.007 0.000 0.270 684 S C 0.885 175.488 174.600 0.005 0.000 1.209 684 S CA -0.491 57.714 58.200 0.008 0.000 0.988 684 S CB 0.675 63.878 63.200 0.006 0.000 1.006 684 S HN 0.396 nan 8.310 nan 0.000 0.558 685 D N 1.653 122.054 120.400 0.001 0.000 2.123 685 D HA 0.066 4.701 4.640 -0.007 0.000 0.200 685 D C 1.866 178.160 176.300 -0.010 0.000 0.976 685 D CA 1.388 55.386 54.000 -0.003 0.000 0.831 685 D CB -0.709 40.089 40.800 -0.004 0.000 0.974 685 D HN 0.671 nan 8.370 nan 0.000 0.469 686 G N -1.032 107.762 108.800 -0.010 0.000 2.426 686 G HA2 -0.051 3.905 3.960 -0.007 0.000 0.214 686 G HA3 -0.051 3.905 3.960 -0.007 0.000 0.214 686 G C 0.690 175.576 174.900 -0.023 0.000 1.156 686 G CA 0.838 45.927 45.100 -0.018 0.000 0.802 686 G HN 0.428 nan 8.290 nan 0.000 0.534 687 Y N 1.464 121.760 120.300 -0.006 0.000 2.837 687 Y HA 0.713 5.258 4.550 -0.007 0.000 0.356 687 Y C -2.532 173.378 175.900 0.017 0.000 1.035 687 Y CA -2.830 55.276 58.100 0.009 0.000 1.165 687 Y CB 0.481 38.957 38.460 0.027 0.000 1.147 687 Y HN 0.140 nan 8.280 nan 0.000 0.628 691 L N 0.943 122.110 121.223 -0.093 0.000 2.371 691 L HA 0.931 5.267 4.340 -0.007 0.000 0.262 691 L C -0.501 176.269 176.870 -0.166 0.000 1.006 691 L CA -0.302 54.425 54.840 -0.188 0.000 0.818 691 L CB 1.716 43.591 42.059 -0.307 0.000 1.354 691 L HN 0.927 nan 8.230 nan 0.000 0.415 692 A N 3.016 125.718 122.820 -0.198 0.000 2.356 692 A HA 0.902 5.218 4.320 -0.007 0.000 0.310 692 A C -1.677 175.769 177.584 -0.230 0.000 1.075 692 A CA -0.430 51.506 52.037 -0.168 0.000 0.746 692 A CB 1.069 19.994 19.000 -0.126 0.000 1.221 692 A HN 0.433 nan 8.150 nan 0.000 0.443 693 L N 0.878 121.983 121.223 -0.195 0.000 2.388 693 L HA 0.887 5.222 4.340 -0.007 0.000 0.264 693 L C 0.015 176.813 176.870 -0.121 0.000 0.998 693 L CA -0.497 54.216 54.840 -0.212 0.000 0.817 693 L CB 1.398 43.324 42.059 -0.223 0.000 1.338 693 L HN 0.961 nan 8.230 nan 0.000 0.414 694 A N 2.090 124.858 122.820 -0.088 0.000 2.381 694 A HA 0.760 5.075 4.320 -0.007 0.000 0.299 694 A C -0.505 177.073 177.584 -0.010 0.000 1.049 694 A CA -0.563 51.458 52.037 -0.027 0.000 0.715 694 A CB 1.289 20.296 19.000 0.012 0.000 1.222 694 A HN 0.834 nan 8.150 nan 0.000 0.428 695 N N 0.955 119.654 118.700 -0.001 0.000 2.725 695 N HA 0.225 4.961 4.740 -0.007 0.000 0.312 695 N C 0.434 175.964 175.510 0.033 0.000 1.295 695 N CA -0.646 52.406 53.050 0.003 0.000 0.914 695 N CB 0.098 38.584 38.487 -0.002 0.000 1.177 695 N HN 0.524 nan 8.380 nan 0.000 0.601 696 N N -1.607 117.112 118.700 0.032 0.000 2.334 696 N HA -0.173 4.563 4.740 -0.007 0.000 0.187 696 N C 0.188 175.736 175.510 0.063 0.000 1.016 696 N CA 1.357 54.438 53.050 0.052 0.000 0.879 696 N CB -0.027 38.485 38.487 0.042 0.000 0.965 696 N HN 0.693 nan 8.380 nan 0.000 0.438 697 S N -2.423 113.308 115.700 0.051 0.000 2.661 697 S HA 0.134 4.599 4.470 -0.007 0.000 0.275 697 S C 0.217 174.847 174.600 0.050 0.000 1.075 697 S CA -0.550 57.683 58.200 0.055 0.000 1.251 697 S CB 0.905 64.130 63.200 0.041 0.000 1.167 697 S HN -0.128 nan 8.310 nan 0.000 0.648 698 T N 1.979 116.554 114.554 0.036 0.000 2.893 698 T HA 0.755 5.100 4.350 -0.007 0.000 0.291 698 T C -0.738 173.971 174.700 0.015 0.000 1.028 698 T CA -0.186 61.928 62.100 0.025 0.000 0.995 698 T CB 1.554 70.427 68.868 0.009 0.000 1.051 698 T HN 0.750 nan 8.240 nan 0.000 0.470 699 L N 2.080 123.311 121.223 0.013 0.000 2.294 699 L HA 0.850 5.186 4.340 -0.007 0.000 0.283 699 L C 0.448 177.306 176.870 -0.020 0.000 1.015 699 L CA -0.820 54.015 54.840 -0.008 0.000 0.831 699 L CB 0.201 42.263 42.059 0.006 0.000 1.217 699 L HN 0.851 nan 8.230 nan 0.000 0.420 700 T N 4.186 118.713 114.554 -0.045 0.000 2.829 700 T HA 0.806 5.152 4.350 -0.007 0.000 0.282 700 T C -0.083 174.576 174.700 -0.068 0.000 0.990 700 T CA 0.007 62.075 62.100 -0.054 0.000 1.028 700 T CB 1.217 70.043 68.868 -0.069 0.000 0.951 700 T HN 0.560 nan 8.240 nan 0.000 0.460 701 I N 2.276 122.816 120.570 -0.049 0.000 2.436 701 I HA 0.689 4.854 4.170 -0.007 0.000 0.289 701 I C 0.596 176.681 176.117 -0.052 0.000 1.010 701 I CA -0.421 60.853 61.300 -0.044 0.000 1.098 701 I CB 1.813 39.812 38.000 -0.001 0.000 1.266 701 I HN 0.800 nan 8.210 nan 0.000 0.434 702 G N 2.932 111.679 108.800 -0.089 0.000 2.682 702 G HA2 0.751 4.707 3.960 -0.007 0.000 0.303 702 G HA3 0.751 4.707 3.960 -0.007 0.000 0.303 702 G C -1.092 173.747 174.900 -0.101 0.000 1.341 702 G CA -0.177 44.819 45.100 -0.173 0.000 0.784 702 G HN 0.635 nan 8.290 nan 0.000 0.497 703 T N -0.723 113.734 114.554 -0.162 0.000 2.929 703 T HA 0.717 5.063 4.350 -0.007 0.000 0.284 703 T C -0.284 174.374 174.700 -0.069 0.000 1.014 703 T CA -0.560 61.522 62.100 -0.030 0.000 1.051 703 T CB 1.053 69.982 68.868 0.103 0.000 1.028 703 T HN 0.697 nan 8.240 nan 0.000 0.485 704 I N 1.565 122.120 120.570 -0.026 0.000 2.441 704 I HA 0.325 4.490 4.170 -0.007 0.000 0.295 704 I C -0.634 175.492 176.117 0.016 0.000 0.994 704 I CA -0.788 60.502 61.300 -0.016 0.000 1.144 704 I CB 1.465 39.460 38.000 -0.009 0.000 1.314 704 I HN 0.628 nan 8.210 nan 0.000 0.445 705 D N 4.862 125.262 120.400 -0.001 0.000 2.372 705 D HA 0.141 4.777 4.640 -0.007 0.000 0.243 705 D C 0.299 176.624 176.300 0.041 0.000 1.297 705 D CA 0.210 54.222 54.000 0.021 0.000 0.958 705 D CB 0.414 41.207 40.800 -0.011 0.000 1.114 705 D HN 0.650 nan 8.370 nan 0.000 0.496 706 E N 0.357 120.592 120.200 0.057 0.000 2.437 706 E HA 0.093 4.438 4.350 -0.007 0.000 0.263 706 E C 0.136 176.716 176.600 -0.033 0.000 1.030 706 E CA -0.255 56.160 56.400 0.024 0.000 0.934 706 E CB -0.087 29.631 29.700 0.029 0.000 0.943 706 E HN 0.280 nan 8.360 nan 0.000 0.444 707 I N 3.511 124.012 120.570 -0.115 0.000 2.347 707 I HA 0.228 4.393 4.170 -0.007 0.000 0.294 707 I C 0.713 176.580 176.117 -0.415 0.000 1.090 707 I CA 0.471 61.568 61.300 -0.338 0.000 1.314 707 I CB -0.988 36.722 38.000 -0.483 0.000 1.423 707 I HN 0.847 nan 8.210 nan 0.000 0.503 708 Q N 4.001 123.633 119.800 -0.280 0.000 2.776 708 Q HA 0.451 4.787 4.340 -0.007 0.000 0.289 708 Q C -0.254 175.777 176.000 0.051 0.000 0.912 708 Q CA -0.694 55.088 55.803 -0.035 0.000 0.789 708 Q CB 1.225 29.976 28.738 0.022 0.000 1.498 708 Q HN 0.258 nan 8.270 nan 0.000 0.408 709 K N 1.006 121.486 120.400 0.133 0.000 2.116 709 K HA 0.250 4.565 4.320 -0.007 0.000 0.203 709 K C 0.826 177.476 176.600 0.084 0.000 1.052 709 K CA 1.410 57.767 56.287 0.116 0.000 0.952 709 K CB -0.128 32.447 32.500 0.125 0.000 0.729 709 K HN 0.471 nan 8.250 nan 0.000 0.446 710 L N 1.187 122.456 121.223 0.078 0.000 2.313 710 L HA 0.366 4.701 4.340 -0.007 0.000 0.283 710 L C -0.713 176.203 176.870 0.076 0.000 1.013 710 L CA -1.267 53.614 54.840 0.069 0.000 0.816 710 L CB 1.867 43.951 42.059 0.042 0.000 1.236 710 L HN 0.491 nan 8.230 nan 0.000 0.419 711 H N 4.079 123.148 119.070 -0.002 0.000 2.604 711 H HA 0.511 5.063 4.556 -0.007 0.000 0.306 711 H C -0.893 174.422 175.328 -0.022 0.000 1.075 711 H CA -0.142 55.899 56.048 -0.011 0.000 1.357 711 H CB 0.760 30.517 29.762 -0.010 0.000 1.426 711 H HN 0.421 nan 8.280 nan 0.000 0.470 712 I N 6.220 126.487 120.570 -0.505 0.000 2.382 712 I HA 0.293 4.459 4.170 -0.007 0.000 0.286 712 I C -0.047 175.768 176.117 -0.503 0.000 1.002 712 I CA -0.700 60.369 61.300 -0.386 0.000 1.135 712 I CB 1.305 39.181 38.000 -0.207 0.000 1.288 712 I HN 0.510 nan 8.210 nan 0.000 0.448 713 R N 4.506 124.788 120.500 -0.363 0.000 2.312 713 R HA 0.491 4.826 4.340 -0.007 0.000 0.311 713 R C -0.931 175.216 176.300 -0.255 0.000 1.004 713 R CA -0.277 55.668 56.100 -0.259 0.000 0.902 713 R CB 1.309 31.520 30.300 -0.149 0.000 1.073 713 R HN 0.544 nan 8.270 nan 0.000 0.457 714 T N 3.917 118.343 114.554 -0.214 0.000 2.749 714 T HA 0.254 4.600 4.350 -0.007 0.000 0.287 714 T C -0.481 174.090 174.700 -0.215 0.000 0.970 714 T CA -0.503 61.469 62.100 -0.213 0.000 0.980 714 T CB 1.445 70.212 68.868 -0.169 0.000 0.924 714 T HN 0.288 nan 8.240 nan 0.000 0.456 715 V N 6.778 126.536 119.914 -0.260 0.000 2.277 715 V HA 0.297 4.412 4.120 -0.007 0.000 0.269 715 V C -2.289 173.668 176.094 -0.228 0.000 1.036 715 V CA -2.236 59.935 62.300 -0.215 0.000 0.821 715 V CB 0.514 32.195 31.823 -0.237 0.000 1.052 715 V HN 0.667 nan 8.190 nan 0.000 0.462 716 P HA 0.272 nan 4.420 nan 0.000 0.271 716 P C 0.415 177.422 177.300 -0.488 0.000 1.216 716 P CA 0.063 62.864 63.100 -0.499 0.000 0.771 716 P CB 0.999 32.253 31.700 -0.744 0.000 0.864 717 L N 1.825 122.779 121.223 -0.449 0.000 2.642 717 L HA 0.190 4.526 4.340 -0.007 0.000 0.233 717 L C 0.265 177.097 176.870 -0.063 0.000 1.077 717 L CA -0.016 54.707 54.840 -0.195 0.000 0.879 717 L CB -0.341 41.643 42.059 -0.124 0.000 1.151 717 L HN 0.365 nan 8.230 nan 0.000 0.495 718 Y N 0.595 120.876 120.300 -0.033 0.000 4.668 718 Y HA -0.311 4.235 4.550 -0.008 0.000 0.234 718 Y C 0.624 176.517 175.900 -0.012 0.000 1.056 718 Y CA 0.789 58.878 58.100 -0.019 0.000 2.025 718 Y CB -2.106 36.344 38.460 -0.017 0.000 1.613 718 Y HN 0.541 nan 8.280 nan 0.000 0.653 719 E N -1.863 118.365 120.200 0.047 0.000 2.456 719 E HA 0.690 5.036 4.350 -0.007 0.000 0.278 719 E C -1.059 175.499 176.600 -0.069 0.000 1.034 719 E CA -1.011 55.396 56.400 0.012 0.000 0.846 719 E CB 1.311 31.011 29.700 -0.001 0.000 1.460 719 E HN -0.089 nan 8.360 nan 0.000 0.463 720 S N 2.543 118.173 115.700 -0.117 0.000 2.416 720 S HA 0.325 4.791 4.470 -0.007 0.000 0.287 720 S C -2.209 172.299 174.600 -0.153 0.000 1.139 720 S CA -0.927 57.160 58.200 -0.188 0.000 1.058 720 S CB 0.412 63.441 63.200 -0.284 0.000 0.967 720 S HN 0.311 nan 8.310 nan 0.000 0.495 721 P HA 0.372 nan 4.420 nan 0.000 0.278 721 P C 0.074 177.326 177.300 -0.081 0.000 1.238 721 P CA -0.541 62.501 63.100 -0.097 0.000 0.794 721 P CB 1.119 32.761 31.700 -0.097 0.000 0.955 722 R N 0.958 121.434 120.500 -0.040 0.000 2.428 722 R HA 0.282 4.618 4.340 -0.007 0.000 0.193 722 R C 0.315 176.635 176.300 0.034 0.000 0.852 722 R CA 0.679 56.777 56.100 -0.003 0.000 1.055 722 R CB 0.319 30.630 30.300 0.019 0.000 1.343 722 R HN 0.460 nan 8.270 nan 0.000 0.655 723 K N 0.531 120.957 120.400 0.044 0.000 2.508 723 K HA 0.483 4.798 4.320 -0.007 0.000 0.260 723 K C -1.175 175.467 176.600 0.071 0.000 0.949 723 K CA -0.605 55.726 56.287 0.072 0.000 0.834 723 K CB 2.948 35.508 32.500 0.100 0.000 1.365 723 K HN -0.033 nan 8.250 nan 0.000 0.437 724 I N 0.252 120.881 120.570 0.098 0.000 2.686 724 I HA 0.485 4.651 4.170 -0.007 0.000 0.295 724 I C -1.462 174.785 176.117 0.216 0.000 1.114 724 I CA -0.499 60.881 61.300 0.134 0.000 1.038 724 I CB 1.658 39.700 38.000 0.071 0.000 1.238 724 I HN 0.622 nan 8.210 nan 0.000 0.420 725 C N 5.348 124.835 119.300 0.311 0.000 2.888 725 C HA 0.480 4.935 4.460 -0.007 0.000 0.308 725 C C -1.072 174.220 174.990 0.503 0.000 1.213 725 C CA -0.517 58.719 59.018 0.364 0.000 1.461 725 C CB 1.821 29.759 27.740 0.330 0.000 1.934 725 C HN 0.654 nan 8.230 nan 0.000 0.474 726 Y N 2.248 122.706 120.300 0.262 0.000 2.334 726 Y HA 0.528 5.074 4.550 -0.008 0.000 0.328 726 Y C 0.079 175.968 175.900 -0.019 0.000 1.130 726 Y CA -0.084 58.033 58.100 0.028 0.000 1.163 726 Y CB 0.875 39.309 38.460 -0.043 0.000 1.207 726 Y HN 0.700 nan 8.280 nan 0.000 0.471 727 Q N 5.669 125.054 119.800 -0.691 0.000 2.523 727 Q HA 0.172 4.508 4.340 -0.007 0.000 0.251 727 Q C 0.611 176.032 176.000 -0.965 0.000 1.033 727 Q CA -0.222 55.174 55.803 -0.678 0.000 0.746 727 Q CB 0.854 29.303 28.738 -0.482 0.000 1.189 727 Q HN 1.007 nan 8.270 nan 0.000 0.508 728 E N 1.924 121.525 120.200 -0.998 0.000 2.070 728 E HA -0.223 4.123 4.350 -0.007 0.000 0.197 728 E C 1.515 177.903 176.600 -0.355 0.000 1.004 728 E CA 2.091 58.069 56.400 -0.703 0.000 0.805 728 E CB 0.156 29.731 29.700 -0.208 0.000 0.744 728 E HN 0.664 nan 8.360 nan 0.000 0.451 729 V N -1.518 118.230 119.914 -0.277 0.000 2.490 729 V HA -0.154 3.962 4.120 -0.007 0.000 0.250 729 V C 1.972 177.985 176.094 -0.134 0.000 1.061 729 V CA 2.063 64.260 62.300 -0.171 0.000 1.064 729 V CB -0.249 31.477 31.823 -0.161 0.000 0.670 729 V HN 0.075 nan 8.190 nan 0.000 0.461 730 S N -1.119 114.483 115.700 -0.163 0.000 2.524 730 S HA 0.110 4.576 4.470 -0.007 0.000 0.216 730 S C 0.630 175.200 174.600 -0.050 0.000 0.987 730 S CA 0.267 58.450 58.200 -0.030 0.000 0.909 730 S CB -0.227 63.022 63.200 0.080 0.000 0.781 730 S HN 0.749 nan 8.310 nan 0.000 0.521 731 Q N 0.072 119.761 119.800 -0.184 0.000 2.463 731 Q HA -0.179 4.156 4.340 -0.007 0.000 0.299 731 Q C -0.239 175.636 176.000 -0.209 0.000 1.353 731 Q CA 0.917 56.615 55.803 -0.175 0.000 0.828 731 Q CB -2.623 26.088 28.738 -0.045 0.000 1.157 731 Q HN 0.786 nan 8.270 nan 0.000 0.436 732 C N -3.097 116.013 119.300 -0.317 0.000 3.288 732 C HA 0.839 5.294 4.460 -0.007 0.000 0.318 732 C C -0.440 174.364 174.990 -0.310 0.000 1.356 732 C CA -1.309 57.568 59.018 -0.235 0.000 1.359 732 C CB 1.503 29.161 27.740 -0.137 0.000 1.688 732 C HN 0.198 nan 8.230 nan 0.000 0.467 733 F N 1.247 121.243 119.950 0.076 0.000 2.397 733 F HA 0.653 5.175 4.527 -0.007 0.000 0.331 733 F C 1.133 176.900 175.800 -0.055 0.000 1.090 733 F CA 0.427 58.504 58.000 0.129 0.000 1.065 733 F CB 1.606 40.700 39.000 0.157 0.000 1.184 733 F HN 1.026 nan 8.300 nan 0.000 0.499 734 G N 1.230 110.092 108.800 0.103 0.000 2.332 734 G HA2 0.568 4.523 3.960 -0.007 0.000 0.310 734 G HA3 0.568 4.523 3.960 -0.007 0.000 0.310 734 G C -1.602 173.283 174.900 -0.026 0.000 1.123 734 G CA -0.543 44.365 45.100 -0.320 0.000 0.873 734 G HN 0.498 nan 8.290 nan 0.000 0.460 735 V N 3.585 123.452 119.914 -0.078 0.000 2.525 735 V HA 0.335 4.451 4.120 -0.007 0.000 0.299 735 V C 0.020 176.106 176.094 -0.014 0.000 1.034 735 V CA -0.656 61.638 62.300 -0.010 0.000 0.863 735 V CB 1.585 33.402 31.823 -0.011 0.000 0.999 735 V HN 0.655 nan 8.190 nan 0.000 0.423 736 L N 4.532 125.773 121.223 0.029 0.000 2.349 736 L HA 0.709 5.045 4.340 -0.007 0.000 0.275 736 L C 0.472 177.346 176.870 0.006 0.000 1.115 736 L CA 0.272 55.147 54.840 0.057 0.000 0.820 736 L CB 1.459 43.576 42.059 0.096 0.000 1.135 736 L HN 0.866 nan 8.230 nan 0.000 0.445 737 S N 0.930 116.620 115.700 -0.017 0.000 2.618 737 S HA 0.807 5.273 4.470 -0.007 0.000 0.277 737 S C -0.729 173.732 174.600 -0.231 0.000 1.138 737 S CA -0.724 57.414 58.200 -0.104 0.000 0.844 737 S CB 2.104 65.253 63.200 -0.084 0.000 1.127 737 S HN 0.627 nan 8.310 nan 0.000 0.474 738 S N 0.471 115.970 115.700 -0.336 0.000 2.548 738 S HA 0.821 5.287 4.470 -0.007 0.000 0.286 738 S C -0.708 173.756 174.600 -0.227 0.000 1.098 738 S CA -1.079 56.830 58.200 -0.485 0.000 0.930 738 S CB 1.506 64.087 63.200 -1.033 0.000 1.070 738 S HN 1.159 nan 8.310 nan 0.000 0.480 739 R N 1.505 121.916 120.500 -0.149 0.000 2.778 739 R HA 0.659 4.994 4.340 -0.007 0.000 0.277 739 R C -0.863 175.428 176.300 -0.015 0.000 0.977 739 R CA -1.038 55.036 56.100 -0.043 0.000 0.950 739 R CB 0.757 31.044 30.300 -0.021 0.000 1.165 739 R HN 0.542 nan 8.270 nan 0.000 0.474 740 I N 2.243 122.836 120.570 0.037 0.000 2.352 740 I HA 0.204 4.369 4.170 -0.007 0.000 0.290 740 I C 0.228 176.356 176.117 0.019 0.000 1.036 740 I CA -0.074 61.248 61.300 0.036 0.000 1.336 740 I CB 0.942 38.967 38.000 0.043 0.000 1.407 740 I HN 0.707 nan 8.210 nan 0.000 0.497 741 E N 5.157 125.367 120.200 0.018 0.000 2.195 741 E HA 0.754 5.100 4.350 -0.007 0.000 0.271 741 E C -0.414 176.196 176.600 0.016 0.000 0.923 741 E CA -0.525 55.883 56.400 0.013 0.000 0.790 741 E CB 2.735 32.443 29.700 0.013 0.000 1.155 741 E HN 0.550 nan 8.360 nan 0.000 0.402 752 L N 1.255 122.474 121.223 -0.006 0.000 2.209 752 L HA 0.646 4.982 4.340 -0.007 0.000 0.207 752 L C 1.101 177.960 176.870 -0.019 0.000 1.094 752 L CA 2.430 57.265 54.840 -0.009 0.000 0.790 752 L CB -1.217 40.840 42.059 -0.003 0.000 0.932 752 L HN 1.355 nan 8.230 nan 0.000 0.447 753 R N -1.047 119.440 120.500 -0.022 0.000 2.712 753 R HA 0.593 4.928 4.340 -0.007 0.000 0.272 753 R C -3.281 172.990 176.300 -0.047 0.000 1.032 753 R CA -1.157 54.915 56.100 -0.046 0.000 0.874 753 R CB 0.280 30.544 30.300 -0.060 0.000 1.256 753 R HN 0.040 nan 8.270 nan 0.000 0.468 754 P HA 0.148 nan 4.420 nan 0.000 0.271 754 P C -0.838 176.435 177.300 -0.045 0.000 1.218 754 P CA -0.153 62.909 63.100 -0.064 0.000 0.780 754 P CB 1.309 32.958 31.700 -0.085 0.000 0.901 755 S N -0.404 115.306 115.700 0.017 0.000 2.656 755 S HA 0.593 5.058 4.470 -0.007 0.000 0.273 755 S C 1.063 175.710 174.600 0.079 0.000 1.168 755 S CA -0.221 58.042 58.200 0.105 0.000 0.817 755 S CB 0.976 64.233 63.200 0.094 0.000 1.146 755 S HN 0.391 nan 8.310 nan 0.000 0.475 756 A N 1.854 124.729 122.820 0.092 0.000 1.915 756 A HA -0.153 4.162 4.320 -0.007 0.000 0.220 756 A C 2.305 179.889 177.584 -0.001 0.000 1.198 756 A CA 3.040 55.102 52.037 0.042 0.000 0.647 756 A CB -1.820 17.187 19.000 0.013 0.000 0.825 756 A HN 1.772 nan 8.150 nan 0.000 0.456 757 S N -1.129 114.558 115.700 -0.020 0.000 2.515 757 S HA -0.056 4.409 4.470 -0.007 0.000 0.231 757 S C 1.478 176.042 174.600 -0.060 0.000 0.987 757 S CA 1.517 59.684 58.200 -0.054 0.000 0.936 757 S CB -0.858 62.306 63.200 -0.060 0.000 0.766 757 S HN 0.880 nan 8.310 nan 0.000 0.528 758 T N -1.822 112.710 114.554 -0.036 0.000 3.069 758 T HA 0.313 4.658 4.350 -0.007 0.000 0.252 758 T C 0.980 175.661 174.700 -0.032 0.000 1.053 758 T CA -0.305 61.772 62.100 -0.039 0.000 0.964 758 T CB -0.112 68.738 68.868 -0.030 0.000 1.005 758 T HN 0.472 nan 8.240 nan 0.000 0.532 759 Q N 0.514 120.300 119.800 -0.023 0.000 2.112 759 Q HA 0.552 4.887 4.340 -0.007 0.000 0.222 759 Q C 0.444 176.441 176.000 -0.005 0.000 0.798 759 Q CA -0.515 55.283 55.803 -0.008 0.000 1.060 759 Q CB 1.170 29.916 28.738 0.012 0.000 1.184 759 Q HN 0.598 nan 8.270 nan 0.000 0.475 760 A N 0.465 123.267 122.820 -0.029 0.000 2.386 760 A HA 0.172 4.488 4.320 -0.007 0.000 0.246 760 A C 1.015 178.597 177.584 -0.003 0.000 1.089 760 A CA -0.143 51.877 52.037 -0.028 0.000 0.790 760 A CB 0.350 19.291 19.000 -0.097 0.000 1.042 760 A HN 0.415 nan 8.150 nan 0.000 0.497 761 L N 0.433 121.676 121.223 0.034 0.000 2.027 761 L HA 0.007 4.342 4.340 -0.007 0.000 0.206 761 L C 1.808 178.716 176.870 0.063 0.000 1.074 761 L CA 1.509 56.383 54.840 0.056 0.000 0.745 761 L CB -0.481 41.630 42.059 0.086 0.000 0.898 761 L HN 0.888 nan 8.230 nan 0.000 0.433 762 S N -0.830 114.933 115.700 0.105 0.000 2.568 762 S HA 0.609 5.074 4.470 -0.007 0.000 0.302 762 S C -0.138 174.413 174.600 -0.082 0.000 1.082 762 S CA -0.243 58.045 58.200 0.146 0.000 1.009 762 S CB 1.533 64.965 63.200 0.387 0.000 1.069 762 S HN 0.127 nan 8.310 nan 0.000 0.500 763 S N 0.194 115.816 115.700 -0.130 0.000 2.564 763 S HA 0.904 5.369 4.470 -0.007 0.000 0.274 763 S C -0.574 173.949 174.600 -0.128 0.000 1.124 763 S CA -0.002 57.971 58.200 -0.378 0.000 0.869 763 S CB 1.172 64.230 63.200 -0.237 0.000 1.105 763 S HN 1.679 nan 8.310 nan 0.000 0.472 764 S N 0.183 115.792 115.700 -0.151 0.000 2.632 764 S HA 0.983 5.448 4.470 -0.007 0.000 0.289 764 S C -0.388 174.078 174.600 -0.224 0.000 1.115 764 S CA -0.465 57.750 58.200 0.026 0.000 0.889 764 S CB 0.755 64.164 63.200 0.349 0.000 1.116 764 S HN 2.025 nan 8.310 nan 0.000 0.486 765 V N 0.279 120.075 119.914 -0.198 0.000 3.001 765 V HA 0.956 5.071 4.120 -0.007 0.000 0.314 765 V C -0.012 176.002 176.094 -0.133 0.000 1.099 765 V CA -0.683 61.420 62.300 -0.328 0.000 0.989 765 V CB 1.835 33.572 31.823 -0.143 0.000 1.040 765 V HN 1.401 nan 8.190 nan 0.000 0.434 787 E N 1.655 121.897 120.200 0.070 0.000 2.167 787 E HA 0.547 4.892 4.350 -0.007 0.000 0.284 787 E C -1.248 175.368 176.600 0.025 0.000 1.016 787 E CA -0.340 56.064 56.400 0.006 0.000 0.817 787 E CB 1.912 31.568 29.700 -0.074 0.000 1.080 787 E HN 0.437 nan 8.360 nan 0.000 0.397 788 V N 5.130 125.046 119.914 0.004 0.000 2.357 788 V HA 0.182 4.298 4.120 -0.007 0.000 0.284 788 V C -0.069 176.031 176.094 0.010 0.000 1.018 788 V CA -0.673 61.657 62.300 0.049 0.000 0.841 788 V CB 0.952 32.788 31.823 0.021 0.000 0.991 788 V HN 0.652 nan 8.190 nan 0.000 0.437 789 H N 4.414 123.473 119.070 -0.018 0.000 2.483 789 H HA 0.556 5.107 4.556 -0.008 0.000 0.338 789 H C -0.694 174.769 175.328 0.226 0.000 1.152 789 H CA -0.572 55.516 56.048 0.065 0.000 1.264 789 H CB 1.824 31.599 29.762 0.022 0.000 1.510 789 H HN 0.634 nan 8.280 nan 0.000 0.530 790 N N 1.470 120.352 118.700 0.302 0.000 2.494 790 N HA 0.139 4.875 4.740 -0.007 0.000 0.270 790 N C -1.575 174.074 175.510 0.232 0.000 1.285 790 N CA -0.774 52.380 53.050 0.174 0.000 0.812 790 N CB 2.823 41.304 38.487 -0.011 0.000 1.557 790 N HN 0.222 nan 8.380 nan 0.000 0.487 791 L N 1.677 122.950 121.223 0.084 0.000 2.280 791 L HA 0.514 4.850 4.340 -0.007 0.000 0.287 791 L C -1.151 175.638 176.870 -0.136 0.000 1.023 791 L CA -0.409 54.425 54.840 -0.010 0.000 0.819 791 L CB 0.538 42.517 42.059 -0.134 0.000 1.212 791 L HN 0.416 nan 8.230 nan 0.000 0.420 792 L N 5.869 127.013 121.223 -0.131 0.000 2.307 792 L HA 0.483 4.818 4.340 -0.007 0.000 0.282 792 L C -0.475 176.260 176.870 -0.226 0.000 1.051 792 L CA -0.677 54.079 54.840 -0.140 0.000 0.804 792 L CB 1.398 43.408 42.059 -0.081 0.000 1.197 792 L HN 0.430 nan 8.230 nan 0.000 0.431 793 I N 4.778 125.214 120.570 -0.223 0.000 2.339 793 I HA 0.438 4.604 4.170 -0.007 0.000 0.290 793 I C -0.022 175.997 176.117 -0.164 0.000 0.994 793 I CA -0.330 60.767 61.300 -0.337 0.000 1.191 793 I CB 1.478 39.135 38.000 -0.572 0.000 1.343 793 I HN 0.486 nan 8.210 nan 0.000 0.458 794 I N 4.868 125.393 120.570 -0.074 0.000 2.466 794 I HA 0.197 4.363 4.170 -0.007 0.000 0.289 794 I C 0.278 176.427 176.117 0.054 0.000 1.026 794 I CA -0.668 60.662 61.300 0.050 0.000 1.078 794 I CB 2.226 40.315 38.000 0.149 0.000 1.249 794 I HN 0.514 nan 8.210 nan 0.000 0.429 795 D N 5.744 126.142 120.400 -0.002 0.000 2.493 795 D HA -0.053 4.582 4.640 -0.007 0.000 0.240 795 D C 1.015 177.159 176.300 -0.260 0.000 1.142 795 D CA 0.221 54.176 54.000 -0.074 0.000 0.872 795 D CB 1.255 42.040 40.800 -0.025 0.000 1.173 795 D HN 0.707 nan 8.370 nan 0.000 0.467 796 Q N 3.529 123.139 119.800 -0.316 0.000 2.230 796 Q HA -0.168 4.168 4.340 -0.007 0.000 0.202 796 Q C 0.873 176.421 176.000 -0.754 0.000 0.963 796 Q CA 1.222 56.745 55.803 -0.468 0.000 0.866 796 Q CB 0.053 28.541 28.738 -0.415 0.000 0.931 796 Q HN 0.584 nan 8.270 nan 0.000 0.452 797 H N 0.545 119.425 119.070 -0.316 0.000 2.388 797 H HA 0.050 4.601 4.556 -0.007 0.000 0.304 797 H C 2.127 177.366 175.328 -0.149 0.000 1.049 797 H CA 1.919 57.858 56.048 -0.181 0.000 1.371 797 H CB 0.026 29.757 29.762 -0.051 0.000 1.436 797 H HN 0.571 nan 8.280 nan 0.000 0.544 798 T N -2.232 112.316 114.554 -0.011 0.000 3.057 798 T HA 0.010 4.355 4.350 -0.007 0.000 0.254 798 T C 0.685 175.502 174.700 0.196 0.000 1.094 798 T CA -0.045 62.120 62.100 0.107 0.000 1.088 798 T CB -0.409 68.519 68.868 0.099 0.000 0.934 798 T HN 0.231 nan 8.240 nan 0.000 0.497 799 F N 0.993 121.010 119.950 0.113 0.000 3.034 799 F HA -0.169 4.353 4.527 -0.008 0.000 0.286 799 F C 0.491 176.325 175.800 0.058 0.000 0.804 799 F CA 0.509 58.558 58.000 0.082 0.000 1.161 799 F CB -2.267 36.757 39.000 0.040 0.000 1.317 799 F HN 0.402 nan 8.300 nan 0.000 0.453 800 E N 0.903 121.188 120.200 0.142 0.000 2.414 800 E HA 0.249 4.595 4.350 -0.007 0.000 0.263 800 E C -0.074 176.576 176.600 0.084 0.000 1.000 800 E CA -0.197 56.267 56.400 0.106 0.000 0.914 800 E CB 0.768 30.519 29.700 0.084 0.000 0.948 800 E HN 0.104 nan 8.360 nan 0.000 0.444 801 V N 7.544 127.500 119.914 0.070 0.000 2.381 801 V HA -0.033 4.083 4.120 -0.007 0.000 0.257 801 V C 1.273 177.393 176.094 0.044 0.000 1.057 801 V CA 0.246 62.571 62.300 0.041 0.000 1.013 801 V CB 0.059 31.895 31.823 0.022 0.000 1.069 801 V HN 0.742 nan 8.190 nan 0.000 0.484 802 L N 3.011 124.265 121.223 0.051 0.000 2.131 802 L HA 0.138 4.474 4.340 -0.007 0.000 0.206 802 L C 0.917 177.891 176.870 0.174 0.000 1.087 802 L CA 1.081 55.986 54.840 0.109 0.000 0.767 802 L CB -0.154 41.984 42.059 0.131 0.000 0.917 802 L HN 0.720 nan 8.230 nan 0.000 0.441 803 H N -1.287 117.781 119.070 -0.003 0.000 3.046 803 H HA 0.648 5.200 4.556 -0.007 0.000 0.363 803 H C -1.561 173.729 175.328 -0.063 0.000 1.203 803 H CA -0.509 55.541 56.048 0.005 0.000 1.169 803 H CB 1.726 31.540 29.762 0.088 0.000 1.851 803 H HN -0.038 nan 8.280 nan 0.000 0.546 804 A N 3.276 125.754 122.820 -0.569 0.000 2.353 804 A HA 0.394 4.709 4.320 -0.007 0.000 0.299 804 A C -1.669 175.659 177.584 -0.427 0.000 1.089 804 A CA -0.583 51.238 52.037 -0.359 0.000 0.736 804 A CB 0.437 19.293 19.000 -0.240 0.000 1.195 804 A HN 0.833 nan 8.150 nan 0.000 0.447 805 H N 1.810 120.671 119.070 -0.348 0.000 2.597 805 H HA 0.458 5.010 4.556 -0.007 0.000 0.303 805 H C 0.139 175.202 175.328 -0.442 0.000 1.057 805 H CA 0.026 55.855 56.048 -0.365 0.000 1.261 805 H CB 0.728 30.204 29.762 -0.477 0.000 1.397 805 H HN 0.749 nan 8.280 nan 0.000 0.461 806 Q N 4.409 123.793 119.800 -0.693 0.000 2.314 806 Q HA 0.182 4.517 4.340 -0.007 0.000 0.258 806 Q C -0.705 174.905 176.000 -0.650 0.000 0.954 806 Q CA -0.324 55.183 55.803 -0.493 0.000 0.890 806 Q CB 0.591 29.159 28.738 -0.283 0.000 1.210 806 Q HN 0.576 nan 8.270 nan 0.000 0.410 807 F N 1.775 121.703 119.950 -0.037 0.000 2.284 807 F HA 0.265 4.787 4.527 -0.008 0.000 0.297 807 F C 0.487 176.310 175.800 0.038 0.000 1.215 807 F CA -0.683 57.359 58.000 0.070 0.000 1.120 807 F CB 0.424 39.509 39.000 0.141 0.000 1.426 807 F HN 0.386 nan 8.300 nan 0.000 0.514 808 L N 0.738 122.139 121.223 0.296 0.000 2.453 808 L HA 0.334 4.670 4.340 -0.007 0.000 0.261 808 L C 0.635 177.588 176.870 0.138 0.000 1.179 808 L CA -0.605 54.337 54.840 0.168 0.000 0.813 808 L CB 0.117 42.274 42.059 0.163 0.000 1.110 808 L HN 0.658 nan 8.230 nan 0.000 0.466 809 Q N 0.994 120.857 119.800 0.106 0.000 2.286 809 Q HA 0.079 4.414 4.340 -0.007 0.000 0.290 809 Q C 0.566 176.624 176.000 0.097 0.000 1.049 809 Q CA 0.752 56.615 55.803 0.099 0.000 0.923 809 Q CB -0.651 28.142 28.738 0.092 0.000 1.183 809 Q HN 0.877 nan 8.270 nan 0.000 0.383 810 N N -0.726 118.035 118.700 0.101 0.000 2.965 810 N HA -0.175 4.560 4.740 -0.007 0.000 0.232 810 N C -0.262 175.263 175.510 0.026 0.000 0.913 810 N CA 0.941 54.026 53.050 0.058 0.000 0.981 810 N CB -0.574 37.886 38.487 -0.045 0.000 1.077 810 N HN 0.872 nan 8.380 nan 0.000 0.589 811 E N 0.611 120.852 120.200 0.069 0.000 2.167 811 E HA 0.222 4.568 4.350 -0.007 0.000 0.284 811 E C -1.095 175.474 176.600 -0.051 0.000 1.016 811 E CA -0.443 55.970 56.400 0.022 0.000 0.817 811 E CB 0.573 30.312 29.700 0.065 0.000 1.080 811 E HN 0.155 nan 8.360 nan 0.000 0.397 812 Y N 2.048 122.060 120.300 -0.480 0.000 2.328 812 Y HA 0.439 4.984 4.550 -0.009 0.000 0.337 812 Y C 0.362 175.940 175.900 -0.537 0.000 1.008 812 Y CA -1.319 56.273 58.100 -0.846 0.000 1.129 812 Y CB 1.757 39.864 38.460 -0.589 0.000 1.185 812 Y HN 0.561 nan 8.280 nan 0.000 0.476 813 A N 4.889 127.514 122.820 -0.326 0.000 2.320 813 A HA 0.465 4.780 4.320 -0.007 0.000 0.287 813 A C 0.094 177.681 177.584 0.006 0.000 1.181 813 A CA -0.241 51.669 52.037 -0.212 0.000 0.831 813 A CB 0.207 19.060 19.000 -0.246 0.000 1.102 813 A HN 1.040 nan 8.150 nan 0.000 0.513 814 L N 1.900 123.115 121.223 -0.013 0.000 2.730 814 L HA 0.180 4.515 4.340 -0.007 0.000 0.236 814 L C 0.642 177.564 176.870 0.086 0.000 1.061 814 L CA 0.458 55.338 54.840 0.067 0.000 0.898 814 L CB 0.232 42.320 42.059 0.048 0.000 1.270 814 L HN 0.719 nan 8.230 nan 0.000 0.500 815 S N 0.336 116.070 115.700 0.056 0.000 2.548 815 S HA 0.758 5.223 4.470 -0.007 0.000 0.286 815 S C -1.123 173.537 174.600 0.100 0.000 1.098 815 S CA -0.617 57.636 58.200 0.089 0.000 0.930 815 S CB 2.925 66.176 63.200 0.086 0.000 1.070 815 S HN 0.019 nan 8.310 nan 0.000 0.480 816 L N 2.124 123.425 121.223 0.130 0.000 2.436 816 L HA 0.863 5.198 4.340 -0.007 0.000 0.268 816 L C -1.209 175.766 176.870 0.176 0.000 0.974 816 L CA -0.611 54.329 54.840 0.166 0.000 0.826 816 L CB 1.860 44.023 42.059 0.173 0.000 1.291 816 L HN 0.856 nan 8.230 nan 0.000 0.406 817 V N 3.492 123.519 119.914 0.188 0.000 2.876 817 V HA 0.781 4.897 4.120 -0.007 0.000 0.312 817 V C -1.070 175.126 176.094 0.170 0.000 1.085 817 V CA -0.142 62.254 62.300 0.161 0.000 0.945 817 V CB 2.475 34.364 31.823 0.110 0.000 1.017 817 V HN 0.892 nan 8.190 nan 0.000 0.428 818 S N 5.224 120.986 115.700 0.103 0.000 2.456 818 S HA 0.830 5.295 4.470 -0.007 0.000 0.316 818 S C -0.576 173.969 174.600 -0.091 0.000 1.089 818 S CA 0.061 58.221 58.200 -0.067 0.000 1.101 818 S CB 0.008 63.128 63.200 -0.134 0.000 0.995 818 S HN 1.716 nan 8.310 nan 0.000 0.468 819 C N 3.306 122.525 119.300 -0.135 0.000 3.295 819 C HA 0.648 5.104 4.460 -0.007 0.000 0.341 819 C C -1.404 173.477 174.990 -0.181 0.000 1.418 819 C CA -1.204 57.741 59.018 -0.121 0.000 1.240 819 C CB 0.642 28.352 27.740 -0.050 0.000 1.562 819 C HN 0.744 nan 8.230 nan 0.000 0.457 820 K N 0.663 120.968 120.400 -0.160 0.000 2.098 820 K HA 0.830 5.145 4.320 -0.007 0.000 0.258 820 K C -1.174 175.363 176.600 -0.105 0.000 0.973 820 K CA -0.350 55.833 56.287 -0.173 0.000 0.898 820 K CB 1.525 33.944 32.500 -0.135 0.000 1.057 820 K HN 0.626 nan 8.250 nan 0.000 0.447 821 L N 0.646 121.810 121.223 -0.099 0.000 2.388 821 L HA 0.385 4.721 4.340 -0.007 0.000 0.264 821 L C 0.733 177.714 176.870 0.186 0.000 0.998 821 L CA -0.415 54.404 54.840 -0.034 0.000 0.817 821 L CB 1.955 43.847 42.059 -0.278 0.000 1.338 821 L HN 0.979 nan 8.230 nan 0.000 0.414 822 G N 0.940 109.864 108.800 0.205 0.000 2.596 822 G HA2 -0.420 3.536 3.960 -0.007 0.000 0.295 822 G HA3 -0.420 3.536 3.960 -0.007 0.000 0.295 822 G C 0.727 175.721 174.900 0.156 0.000 1.240 822 G CA 0.787 46.020 45.100 0.222 0.000 0.985 822 G HN 0.834 nan 8.290 nan 0.000 0.555 823 K N 0.121 120.613 120.400 0.154 0.000 2.418 823 K HA 0.298 4.613 4.320 -0.007 0.000 0.195 823 K C 1.135 177.807 176.600 0.119 0.000 1.035 823 K CA 1.488 57.836 56.287 0.101 0.000 1.003 823 K CB -0.216 32.324 32.500 0.067 0.000 0.793 823 K HN 0.855 nan 8.250 nan 0.000 0.494 824 D N 1.149 121.677 120.400 0.214 0.000 2.434 824 D HA 0.020 4.655 4.640 -0.007 0.000 0.252 824 D C -1.451 174.905 176.300 0.093 0.000 1.185 824 D CA -1.935 52.204 54.000 0.232 0.000 0.886 824 D CB 1.724 42.853 40.800 0.548 0.000 1.148 824 D HN 0.143 nan 8.370 nan 0.000 0.483 825 P HA -0.031 nan 4.420 nan 0.000 0.236 825 P C -0.063 177.161 177.300 -0.127 0.000 1.177 825 P CA -0.034 63.043 63.100 -0.038 0.000 0.773 825 P CB 0.388 32.075 31.700 -0.022 0.000 0.878 826 N N 0.628 119.218 118.700 -0.183 0.000 2.508 826 N HA 0.108 4.843 4.740 -0.007 0.000 0.264 826 N C 0.079 175.150 175.510 -0.732 0.000 1.216 826 N CA 0.619 53.417 53.050 -0.419 0.000 0.943 826 N CB 0.162 38.382 38.487 -0.445 0.000 1.113 826 N HN -0.075 nan 8.380 nan 0.000 0.447 827 T N 2.068 116.220 114.554 -0.671 0.000 2.771 827 T HA 0.422 4.767 4.350 -0.007 0.000 0.281 827 T C -0.452 173.835 174.700 -0.688 0.000 0.982 827 T CA -0.285 61.438 62.100 -0.630 0.000 0.978 827 T CB 0.207 68.835 68.868 -0.400 0.000 0.930 827 T HN 0.224 nan 8.240 nan 0.000 0.447 828 Y N 0.870 121.004 120.300 -0.276 0.000 2.509 828 Y HA 0.586 5.131 4.550 -0.007 0.000 0.341 828 Y C -0.244 175.463 175.900 -0.322 0.000 1.038 828 Y CA -1.603 56.354 58.100 -0.238 0.000 1.089 828 Y CB 1.295 39.620 38.460 -0.224 0.000 1.241 828 Y HN 0.504 nan 8.280 nan 0.000 0.468 829 F N 3.006 123.099 119.950 0.237 0.000 2.411 829 F HA 0.441 4.964 4.527 -0.007 0.000 0.355 829 F C -0.129 175.825 175.800 0.256 0.000 1.117 829 F CA -0.623 57.498 58.000 0.201 0.000 1.139 829 F CB 0.467 39.571 39.000 0.173 0.000 1.120 829 F HN 0.113 nan 8.300 nan 0.000 0.493 830 I N 4.350 125.121 120.570 0.336 0.000 2.406 830 I HA 0.483 4.649 4.170 -0.007 0.000 0.290 830 I C -0.910 175.349 176.117 0.237 0.000 0.999 830 I CA -0.975 60.447 61.300 0.204 0.000 1.124 830 I CB 1.726 39.751 38.000 0.042 0.000 1.289 830 I HN 0.165 nan 8.210 nan 0.000 0.441 831 V N 4.222 124.286 119.914 0.251 0.000 2.555 831 V HA 0.690 4.805 4.120 -0.007 0.000 0.302 831 V C 0.420 176.548 176.094 0.057 0.000 1.038 831 V CA -0.570 61.851 62.300 0.201 0.000 0.887 831 V CB 1.825 33.862 31.823 0.358 0.000 0.991 831 V HN 0.903 nan 8.190 nan 0.000 0.434 832 G N 1.727 110.528 108.800 0.001 0.000 2.416 832 G HA2 0.664 4.619 3.960 -0.007 0.000 0.324 832 G HA3 0.664 4.619 3.960 -0.007 0.000 0.324 832 G C -0.232 174.594 174.900 -0.124 0.000 1.194 832 G CA -0.088 44.979 45.100 -0.055 0.000 0.922 832 G HN 0.868 nan 8.290 nan 0.000 0.467 833 T N -1.149 113.310 114.554 -0.159 0.000 2.883 833 T HA 0.842 5.187 4.350 -0.007 0.000 0.284 833 T C -0.344 174.241 174.700 -0.192 0.000 1.041 833 T CA -0.493 61.483 62.100 -0.205 0.000 1.007 833 T CB 2.162 70.871 68.868 -0.266 0.000 1.220 833 T HN 1.512 nan 8.240 nan 0.000 0.552 834 A N 1.855 124.557 122.820 -0.196 0.000 2.427 834 A HA 0.654 4.969 4.320 -0.007 0.000 0.298 834 A C -0.275 177.174 177.584 -0.226 0.000 1.036 834 A CA -0.972 50.932 52.037 -0.221 0.000 0.701 834 A CB 1.261 20.093 19.000 -0.280 0.000 1.250 834 A HN 0.780 nan 8.150 nan 0.000 0.412 835 M N 2.617 122.083 119.600 -0.223 0.000 2.194 835 M HA 0.240 4.716 4.480 -0.007 0.000 0.347 835 M C -0.488 175.442 176.300 -0.617 0.000 1.439 835 M CA -0.039 55.046 55.300 -0.358 0.000 1.131 835 M CB 0.339 32.800 32.600 -0.231 0.000 1.733 835 M HN 0.310 nan 8.290 nan 0.000 0.467 836 V N 6.413 125.884 119.914 -0.738 0.000 2.334 836 V HA 0.381 4.496 4.120 -0.007 0.000 0.281 836 V C -0.821 174.893 176.094 -0.634 0.000 1.016 836 V CA -0.497 61.394 62.300 -0.682 0.000 0.832 836 V CB 0.698 31.942 31.823 -0.966 0.000 0.999 836 V HN 0.666 nan 8.190 nan 0.000 0.439 837 Y N 4.007 124.256 120.300 -0.085 0.000 2.446 837 Y HA 0.656 5.201 4.550 -0.009 0.000 0.338 837 Y C -0.862 175.022 175.900 -0.026 0.000 1.055 837 Y CA -2.228 55.853 58.100 -0.033 0.000 1.101 837 Y CB 0.328 38.778 38.460 -0.017 0.000 1.221 837 Y HN 0.542 nan 8.280 nan 0.000 0.460 843 P HA 0.535 nan 4.420 nan 0.000 0.269 843 P C 0.360 177.657 177.300 -0.005 0.000 1.209 843 P CA 0.575 63.653 63.100 -0.038 0.000 0.776 843 P CB 1.003 32.622 31.700 -0.135 0.000 0.876 844 K N 0.033 120.450 120.400 0.029 0.000 2.438 844 K HA 0.188 4.504 4.320 -0.007 0.000 0.206 844 K C 0.507 177.128 176.600 0.034 0.000 1.081 844 K CA 0.140 56.448 56.287 0.035 0.000 1.053 844 K CB 0.180 32.711 32.500 0.052 0.000 0.908 844 K HN 0.675 nan 8.250 nan 0.000 0.556 845 Q N -1.183 118.631 119.800 0.022 0.000 2.377 845 Q HA 0.619 4.954 4.340 -0.007 0.000 0.279 845 Q C -0.713 175.266 176.000 -0.036 0.000 1.049 845 Q CA -0.625 55.193 55.803 0.025 0.000 0.825 845 Q CB 2.329 31.127 28.738 0.101 0.000 1.401 845 Q HN 0.425 nan 8.270 nan 0.000 0.404 846 G N 1.855 110.634 108.800 -0.035 0.000 2.506 846 G HA2 0.542 4.497 3.960 -0.007 0.000 0.292 846 G HA3 0.542 4.497 3.960 -0.007 0.000 0.292 846 G C -1.816 173.059 174.900 -0.043 0.000 1.425 846 G CA -0.728 44.330 45.100 -0.070 0.000 0.788 846 G HN 0.480 nan 8.290 nan 0.000 0.490 847 R N -0.970 119.496 120.500 -0.057 0.000 2.795 847 R HA 0.622 4.957 4.340 -0.007 0.000 0.275 847 R C -0.970 175.290 176.300 -0.066 0.000 0.981 847 R CA -0.895 55.180 56.100 -0.042 0.000 0.917 847 R CB 2.514 32.810 30.300 -0.006 0.000 1.202 847 R HN 0.408 nan 8.270 nan 0.000 0.469 848 I N 2.188 122.707 120.570 -0.085 0.000 2.362 848 I HA 0.342 4.507 4.170 -0.007 0.000 0.289 848 I C -0.598 175.450 176.117 -0.115 0.000 0.994 848 I CA -0.939 60.295 61.300 -0.109 0.000 1.158 848 I CB 1.914 39.796 38.000 -0.197 0.000 1.315 848 I HN 0.140 nan 8.210 nan 0.000 0.451 849 V N 6.844 126.698 119.914 -0.101 0.000 2.444 849 V HA 0.358 4.474 4.120 -0.007 0.000 0.294 849 V C -0.057 175.836 176.094 -0.335 0.000 1.022 849 V CA -0.792 61.362 62.300 -0.243 0.000 0.850 849 V CB 1.772 33.450 31.823 -0.243 0.000 0.992 849 V HN 0.385 nan 8.190 nan 0.000 0.426 850 V N 5.584 125.250 119.914 -0.413 0.000 2.383 850 V HA 0.507 4.622 4.120 -0.007 0.000 0.275 850 V C -0.404 175.411 176.094 -0.466 0.000 1.036 850 V CA -0.134 61.924 62.300 -0.404 0.000 0.889 850 V CB 0.722 32.213 31.823 -0.553 0.000 0.985 850 V HN 0.657 nan 8.190 nan 0.000 0.459 851 F N 2.588 122.530 119.950 -0.014 0.000 2.507 851 F HA 0.604 5.127 4.527 -0.008 0.000 0.327 851 F C 0.280 176.221 175.800 0.235 0.000 1.068 851 F CA -0.558 57.490 58.000 0.081 0.000 0.965 851 F CB 1.780 40.863 39.000 0.139 0.000 1.192 851 F HN 0.341 nan 8.300 nan 0.000 0.476 852 Q N 1.783 121.851 119.800 0.446 0.000 2.353 852 Q HA 0.303 4.639 4.340 -0.007 0.000 0.268 852 Q C -1.703 174.498 176.000 0.335 0.000 1.045 852 Q CA -0.781 55.265 55.803 0.405 0.000 0.811 852 Q CB 2.374 31.327 28.738 0.358 0.000 1.305 852 Q HN 0.722 nan 8.270 nan 0.000 0.447 857 K N -0.146 120.054 120.400 -0.334 0.000 2.466 857 K HA 0.884 5.199 4.320 -0.007 0.000 0.260 857 K C -1.684 174.732 176.600 -0.307 0.000 1.011 857 K CA -0.849 55.206 56.287 -0.387 0.000 0.871 857 K CB 1.653 34.030 32.500 -0.205 0.000 1.404 857 K HN 0.505 nan 8.250 nan 0.000 0.450 858 L N 2.317 123.257 121.223 -0.472 0.000 2.277 858 L HA 0.555 4.891 4.340 -0.007 0.000 0.284 858 L C 0.639 177.568 176.870 0.098 0.000 1.028 858 L CA -0.346 54.457 54.840 -0.061 0.000 0.835 858 L CB 0.705 42.700 42.059 -0.105 0.000 1.215 858 L HN 0.982 nan 8.230 nan 0.000 0.425 859 Q N 2.178 122.070 119.800 0.153 0.000 2.261 859 Q HA 0.566 4.901 4.340 -0.007 0.000 0.252 859 Q C 0.012 176.140 176.000 0.213 0.000 0.915 859 Q CA -0.524 55.376 55.803 0.162 0.000 0.915 859 Q CB 0.286 29.084 28.738 0.101 0.000 1.204 859 Q HN 0.673 nan 8.270 nan 0.000 0.421 860 T N 2.428 117.050 114.554 0.112 0.000 2.761 860 T HA 0.309 4.654 4.350 -0.007 0.000 0.296 860 T C 1.112 175.755 174.700 -0.095 0.000 0.934 860 T CA -0.088 61.942 62.100 -0.117 0.000 1.091 860 T CB 0.767 69.560 68.868 -0.125 0.000 0.896 860 T HN 0.515 nan 8.240 nan 0.000 0.515 861 V N 1.953 121.771 119.914 -0.160 0.000 2.795 861 V HA 0.470 4.585 4.120 -0.007 0.000 0.243 861 V C 0.915 176.977 176.094 -0.054 0.000 1.069 861 V CA 0.732 62.983 62.300 -0.082 0.000 1.089 861 V CB -0.145 31.593 31.823 -0.142 0.000 0.756 861 V HN 1.009 nan 8.190 nan 0.000 0.471 862 A N -0.295 122.459 122.820 -0.109 0.000 2.594 862 A HA 0.710 5.025 4.320 -0.007 0.000 0.296 862 A C -1.158 176.359 177.584 -0.111 0.000 1.061 862 A CA -0.601 51.410 52.037 -0.042 0.000 0.689 862 A CB 1.363 20.450 19.000 0.145 0.000 1.280 862 A HN 0.246 nan 8.150 nan 0.000 0.406 863 E N 0.020 120.175 120.200 -0.076 0.000 2.299 863 E HA 0.765 5.111 4.350 -0.007 0.000 0.265 863 E C -0.299 176.265 176.600 -0.059 0.000 0.911 863 E CA -0.841 55.512 56.400 -0.080 0.000 0.789 863 E CB 2.062 31.731 29.700 -0.050 0.000 1.246 863 E HN 0.850 nan 8.360 nan 0.000 0.427 864 K N 0.792 121.149 120.400 -0.072 0.000 2.652 864 K HA 0.567 4.882 4.320 -0.007 0.000 0.249 864 K C -0.528 176.048 176.600 -0.041 0.000 0.986 864 K CA -0.394 55.855 56.287 -0.064 0.000 0.867 864 K CB 0.872 33.290 32.500 -0.136 0.000 1.201 864 K HN 0.624 nan 8.250 nan 0.000 0.450 865 E N 0.439 120.635 120.200 -0.007 0.000 2.354 865 E HA 0.641 4.986 4.350 -0.007 0.000 0.269 865 E C -0.126 176.487 176.600 0.022 0.000 1.036 865 E CA 0.028 56.432 56.400 0.008 0.000 0.876 865 E CB 1.574 31.287 29.700 0.021 0.000 1.009 865 E HN 1.460 nan 8.360 nan 0.000 0.416 866 V N 0.350 120.276 119.914 0.020 0.000 3.160 866 V HA 0.809 4.924 4.120 -0.007 0.000 0.310 866 V C 0.339 176.449 176.094 0.028 0.000 1.181 866 V CA 0.100 62.423 62.300 0.039 0.000 1.047 866 V CB 2.214 34.066 31.823 0.048 0.000 1.068 866 V HN 1.099 nan 8.190 nan 0.000 0.441 867 K N 1.548 121.970 120.400 0.037 0.000 2.969 867 K HA 0.776 5.092 4.320 -0.007 0.000 0.222 867 K C 0.108 176.715 176.600 0.012 0.000 1.172 867 K CA 0.402 56.706 56.287 0.030 0.000 1.192 867 K CB 0.163 32.687 32.500 0.041 0.000 1.111 867 K HN 1.862 nan 8.250 nan 0.000 0.457 868 G N -1.132 107.655 108.800 -0.021 0.000 2.342 868 G HA2 0.554 4.510 3.960 -0.007 0.000 0.297 868 G HA3 0.554 4.510 3.960 -0.007 0.000 0.297 868 G C -1.228 173.572 174.900 -0.168 0.000 1.313 868 G CA -0.072 44.986 45.100 -0.069 0.000 0.830 868 G HN 0.872 nan 8.290 nan 0.000 0.506 869 A N -0.478 122.151 122.820 -0.319 0.000 2.450 869 A HA 0.529 4.845 4.320 -0.007 0.000 0.255 869 A C 0.395 177.610 177.584 -0.615 0.000 1.096 869 A CA -0.139 51.548 52.037 -0.583 0.000 0.778 869 A CB 0.402 18.779 19.000 -1.039 0.000 1.031 869 A HN 1.425 nan 8.150 nan 0.000 0.494 870 V N 4.979 124.661 119.914 -0.387 0.000 2.267 870 V HA 0.045 4.161 4.120 -0.007 0.000 0.254 870 V C 0.430 176.430 176.094 -0.158 0.000 1.144 870 V CA 0.217 62.393 62.300 -0.207 0.000 0.992 870 V CB -1.490 30.274 31.823 -0.099 0.000 1.199 870 V HN 0.977 nan 8.190 nan 0.000 0.493 871 Y N 1.719 122.005 120.300 -0.025 0.000 2.314 871 Y HA 0.029 4.575 4.550 -0.008 0.000 0.293 871 Y C 1.613 177.502 175.900 -0.019 0.000 1.129 871 Y CA 0.959 59.035 58.100 -0.040 0.000 1.201 871 Y CB 0.545 38.950 38.460 -0.092 0.000 0.999 871 Y HN 0.578 nan 8.280 nan 0.000 0.541 872 S N -0.231 115.558 115.700 0.149 0.000 2.533 872 S HA 0.650 5.115 4.470 -0.007 0.000 0.271 872 S C -1.192 173.464 174.600 0.093 0.000 1.143 872 S CA -0.732 57.537 58.200 0.115 0.000 0.891 872 S CB 0.881 64.138 63.200 0.095 0.000 1.105 872 S HN 0.096 nan 8.310 nan 0.000 0.468 873 M N 3.025 122.685 119.600 0.099 0.000 2.484 873 M HA 0.664 5.139 4.480 -0.007 0.000 0.289 873 M C -1.569 174.794 176.300 0.105 0.000 1.206 873 M CA -0.802 54.555 55.300 0.096 0.000 0.892 873 M CB 2.322 34.976 32.600 0.090 0.000 1.712 873 M HN 0.436 nan 8.290 nan 0.000 0.462 874 V N 1.460 121.437 119.914 0.105 0.000 2.924 874 V HA 0.356 4.472 4.120 -0.007 0.000 0.300 874 V C -1.180 175.001 176.094 0.144 0.000 1.227 874 V CA -0.478 61.895 62.300 0.121 0.000 0.954 874 V CB 2.249 34.142 31.823 0.117 0.000 1.055 874 V HN 0.912 nan 8.190 nan 0.000 0.429 875 E N 4.404 124.689 120.200 0.141 0.000 2.384 875 E HA 0.166 4.511 4.350 -0.007 0.000 0.266 875 E C -1.863 174.884 176.600 0.245 0.000 1.012 875 E CA -0.018 56.469 56.400 0.146 0.000 0.901 875 E CB 1.043 30.792 29.700 0.080 0.000 0.967 875 E HN 0.560 nan 8.360 nan 0.000 0.435 876 F N 5.768 125.734 119.950 0.025 0.000 2.902 876 F HA 0.240 4.762 4.527 -0.007 0.000 0.368 876 F C -0.455 175.342 175.800 -0.005 0.000 1.202 876 F CA -0.882 57.129 58.000 0.018 0.000 1.109 876 F CB 0.158 39.167 39.000 0.015 0.000 1.418 876 F HN 0.532 nan 8.300 nan 0.000 0.527 877 N N 3.846 122.359 118.700 -0.312 0.000 2.714 877 N HA -0.209 4.526 4.740 -0.007 0.000 0.253 877 N C 1.110 176.548 175.510 -0.120 0.000 1.024 877 N CA 1.312 54.194 53.050 -0.279 0.000 0.726 877 N CB -1.127 37.085 38.487 -0.460 0.000 0.908 877 N HN 1.299 nan 8.380 nan 0.000 0.542 878 G N -1.277 107.496 108.800 -0.044 0.000 2.166 878 G HA2 -0.373 3.582 3.960 -0.007 0.000 0.260 878 G HA3 -0.373 3.582 3.960 -0.007 0.000 0.260 878 G C 0.152 175.083 174.900 0.051 0.000 0.986 878 G CA 1.318 46.422 45.100 0.007 0.000 0.683 878 G HN 0.601 nan 8.290 nan 0.000 0.527 879 K N -1.210 119.226 120.400 0.060 0.000 2.306 879 K HA 0.779 5.094 4.320 -0.007 0.000 0.236 879 K C -0.795 175.904 176.600 0.165 0.000 1.013 879 K CA -1.201 55.157 56.287 0.118 0.000 0.857 879 K CB 1.903 34.452 32.500 0.081 0.000 1.214 879 K HN 0.090 nan 8.250 nan 0.000 0.449 880 L N 2.578 123.920 121.223 0.199 0.000 2.280 880 L HA 0.390 4.725 4.340 -0.007 0.000 0.287 880 L C -1.489 175.534 176.870 0.256 0.000 1.023 880 L CA -0.671 54.294 54.840 0.208 0.000 0.819 880 L CB 0.999 43.161 42.059 0.171 0.000 1.212 880 L HN 0.454 nan 8.230 nan 0.000 0.420 881 L N 5.458 126.792 121.223 0.185 0.000 2.289 881 L HA 0.873 5.208 4.340 -0.007 0.000 0.285 881 L C -0.447 176.497 176.870 0.125 0.000 1.049 881 L CA 0.138 55.043 54.840 0.109 0.000 0.804 881 L CB 1.278 43.311 42.059 -0.043 0.000 1.195 881 L HN 0.782 nan 8.230 nan 0.000 0.428 882 A N 2.911 125.813 122.820 0.136 0.000 2.455 882 A HA 0.734 5.049 4.320 -0.007 0.000 0.300 882 A C -0.866 176.766 177.584 0.079 0.000 1.040 882 A CA -0.265 51.859 52.037 0.145 0.000 0.697 882 A CB 1.506 20.672 19.000 0.278 0.000 1.265 882 A HN 0.753 nan 8.150 nan 0.000 0.407 883 S N 1.038 116.776 115.700 0.062 0.000 2.451 883 S HA 0.793 5.259 4.470 -0.007 0.000 0.301 883 S C -0.620 174.023 174.600 0.072 0.000 1.116 883 S CA -0.405 57.826 58.200 0.052 0.000 1.093 883 S CB 0.545 63.770 63.200 0.041 0.000 1.017 883 S HN 0.561 nan 8.310 nan 0.000 0.482 884 I N 3.192 123.798 120.570 0.060 0.000 2.583 884 I HA 0.342 4.508 4.170 -0.007 0.000 0.276 884 I C -0.276 175.873 176.117 0.053 0.000 1.089 884 I CA -0.416 60.895 61.300 0.018 0.000 1.103 884 I CB 0.689 38.711 38.000 0.036 0.000 1.209 884 I HN 0.737 nan 8.210 nan 0.000 0.484 885 N N 2.631 121.397 118.700 0.110 0.000 1.742 885 N HA -0.283 4.453 4.740 -0.007 0.000 0.162 885 N C 1.130 176.728 175.510 0.146 0.000 0.678 885 N CA 2.229 55.398 53.050 0.198 0.000 1.210 885 N CB -1.010 37.535 38.487 0.098 0.000 1.358 885 N HN 0.638 nan 8.380 nan 0.000 0.440 886 S N -1.130 114.617 115.700 0.080 0.000 2.577 886 S HA 0.320 4.785 4.470 -0.007 0.000 0.219 886 S C 0.204 174.814 174.600 0.018 0.000 0.962 886 S CA 0.179 58.401 58.200 0.037 0.000 0.921 886 S CB 0.122 63.340 63.200 0.030 0.000 0.789 886 S HN 0.503 nan 8.310 nan 0.000 0.497 887 T N 2.370 116.936 114.554 0.020 0.000 2.829 887 T HA 0.547 4.892 4.350 -0.007 0.000 0.282 887 T C -0.490 174.175 174.700 -0.059 0.000 0.990 887 T CA -0.486 61.584 62.100 -0.051 0.000 1.028 887 T CB 1.816 70.668 68.868 -0.025 0.000 0.951 887 T HN 0.037 nan 8.240 nan 0.000 0.460 888 V N 3.076 122.922 119.914 -0.113 0.000 2.347 888 V HA 0.761 4.877 4.120 -0.007 0.000 0.280 888 V C 0.580 176.612 176.094 -0.102 0.000 1.021 888 V CA -0.795 61.419 62.300 -0.143 0.000 0.847 888 V CB 0.652 32.300 31.823 -0.291 0.000 0.990 888 V HN 1.033 nan 8.190 nan 0.000 0.444 889 R N 3.864 124.334 120.500 -0.050 0.000 2.637 889 R HA 0.893 5.228 4.340 -0.007 0.000 0.291 889 R C -1.289 174.955 176.300 -0.095 0.000 0.963 889 R CA -0.724 55.316 56.100 -0.099 0.000 0.901 889 R CB 1.579 31.709 30.300 -0.284 0.000 1.160 889 R HN 0.626 nan 8.270 nan 0.000 0.457 890 L N 2.097 123.236 121.223 -0.141 0.000 2.313 890 L HA 0.672 5.007 4.340 -0.007 0.000 0.283 890 L C -1.413 175.257 176.870 -0.333 0.000 1.013 890 L CA -1.157 53.602 54.840 -0.135 0.000 0.816 890 L CB 1.400 43.385 42.059 -0.123 0.000 1.236 890 L HN 0.706 nan 8.230 nan 0.000 0.419 891 Y N 2.695 123.028 120.300 0.056 0.000 2.387 891 Y HA 0.506 5.051 4.550 -0.007 0.000 0.336 891 Y C 0.297 176.247 175.900 0.083 0.000 1.067 891 Y CA -0.551 57.592 58.100 0.071 0.000 1.114 891 Y CB 1.410 39.927 38.460 0.094 0.000 1.208 891 Y HN 0.542 nan 8.280 nan 0.000 0.458 892 E N 2.194 122.535 120.200 0.236 0.000 2.248 892 E HA 0.099 4.444 4.350 -0.007 0.000 0.272 892 E C -1.293 175.491 176.600 0.307 0.000 1.008 892 E CA -0.789 55.738 56.400 0.213 0.000 0.856 892 E CB 1.513 31.289 29.700 0.127 0.000 1.120 892 E HN 0.629 nan 8.360 nan 0.000 0.397 893 W N 4.179 125.520 121.300 0.068 0.000 2.329 893 W HA 0.187 4.842 4.660 -0.008 0.000 0.312 893 W C -0.501 176.041 176.519 0.039 0.000 1.054 893 W CA -0.700 56.674 57.345 0.050 0.000 1.245 893 W CB 1.268 30.762 29.460 0.058 0.000 1.255 893 W HN 0.573 nan 8.180 nan 0.000 0.436 894 T N 0.933 115.298 114.554 -0.314 0.000 2.847 894 T HA 0.107 4.453 4.350 -0.007 0.000 0.279 894 T C 1.598 176.055 174.700 -0.406 0.000 0.984 894 T CA 0.373 62.308 62.100 -0.275 0.000 0.988 894 T CB 1.442 70.186 68.868 -0.208 0.000 1.040 894 T HN 0.479 nan 8.240 nan 0.000 0.528 895 T N -2.783 111.639 114.554 -0.219 0.000 2.897 895 T HA -0.001 4.344 4.350 -0.007 0.000 0.271 895 T C 1.502 176.074 174.700 -0.213 0.000 1.084 895 T CA 1.504 63.502 62.100 -0.171 0.000 1.123 895 T CB -0.937 67.876 68.868 -0.091 0.000 0.865 895 T HN 0.952 nan 8.240 nan 0.000 0.496 896 E N 1.288 121.326 120.200 -0.269 0.000 2.423 896 E HA 0.245 4.591 4.350 -0.007 0.000 0.198 896 E C 0.468 176.843 176.600 -0.373 0.000 1.038 896 E CA -0.421 55.833 56.400 -0.244 0.000 1.011 896 E CB -0.889 28.707 29.700 -0.173 0.000 1.118 896 E HN 0.578 nan 8.360 nan 0.000 0.451 897 K N 0.873 120.882 120.400 -0.651 0.000 3.156 897 K HA -0.154 4.162 4.320 -0.007 0.000 0.266 897 K C -0.483 175.488 176.600 -1.049 0.000 0.966 897 K CA 0.771 56.382 56.287 -1.126 0.000 0.719 897 K CB -1.345 30.922 32.500 -0.388 0.000 1.333 897 K HN 0.478 nan 8.250 nan 0.000 0.468 898 E N 0.240 119.899 120.200 -0.903 0.000 2.312 898 E HA 0.471 4.817 4.350 -0.007 0.000 0.267 898 E C -0.034 176.454 176.600 -0.186 0.000 0.894 898 E CA -1.013 55.138 56.400 -0.414 0.000 0.773 898 E CB 1.482 31.063 29.700 -0.198 0.000 1.241 898 E HN 0.178 nan 8.360 nan 0.000 0.432 899 L N 1.988 123.275 121.223 0.107 0.000 2.326 899 L HA 0.462 4.797 4.340 -0.007 0.000 0.278 899 L C 0.507 177.483 176.870 0.177 0.000 1.092 899 L CA -0.259 54.702 54.840 0.202 0.000 0.810 899 L CB 0.724 42.808 42.059 0.041 0.000 1.153 899 L HN 0.232 nan 8.230 nan 0.000 0.439 900 R N 1.642 122.301 120.500 0.264 0.000 2.514 900 R HA 0.365 4.700 4.340 -0.007 0.000 0.296 900 R C -0.958 175.486 176.300 0.240 0.000 1.012 900 R CA -0.470 55.757 56.100 0.210 0.000 0.897 900 R CB 1.504 31.861 30.300 0.094 0.000 1.184 900 R HN 0.587 nan 8.270 nan 0.000 0.440 901 T N 3.054 117.719 114.554 0.185 0.000 2.934 901 T HA -0.048 4.297 4.350 -0.007 0.000 0.306 901 T C 0.806 175.475 174.700 -0.052 0.000 1.042 901 T CA 0.252 62.311 62.100 -0.068 0.000 1.145 901 T CB 1.123 69.944 68.868 -0.079 0.000 0.982 901 T HN 0.784 nan 8.240 nan 0.000 0.544 902 E N 0.730 120.861 120.200 -0.115 0.000 2.175 902 E HA 0.093 4.439 4.350 -0.007 0.000 0.195 902 E C 0.474 177.017 176.600 -0.095 0.000 0.934 902 E CA 0.222 56.580 56.400 -0.070 0.000 0.870 902 E CB 0.497 30.163 29.700 -0.057 0.000 0.838 902 E HN 0.876 nan 8.360 nan 0.000 0.474 903 C N -1.109 118.091 119.300 -0.166 0.000 3.318 903 C HA 0.718 5.173 4.460 -0.007 0.000 0.322 903 C C -1.187 173.759 174.990 -0.075 0.000 1.398 903 C CA -1.275 57.651 59.018 -0.155 0.000 1.339 903 C CB 0.637 28.199 27.740 -0.297 0.000 1.668 903 C HN 0.355 nan 8.230 nan 0.000 0.462 904 N N -0.437 118.270 118.700 0.012 0.000 2.329 904 N HA 0.593 5.328 4.740 -0.007 0.000 0.282 904 N C -1.758 173.720 175.510 -0.053 0.000 1.198 904 N CA -0.574 52.421 53.050 -0.093 0.000 0.790 904 N CB 1.446 39.644 38.487 -0.482 0.000 1.579 904 N HN 0.940 nan 8.380 nan 0.000 0.475 905 H N 1.283 120.146 119.070 -0.345 0.000 2.589 905 H HA 0.247 4.799 4.556 -0.008 0.000 0.351 905 H C -0.827 174.209 175.328 -0.486 0.000 1.074 905 H CA -0.350 55.488 56.048 -0.350 0.000 1.203 905 H CB 0.960 30.482 29.762 -0.399 0.000 1.558 905 H HN 0.774 nan 8.280 nan 0.000 0.522 906 Y N 2.216 122.166 120.300 -0.584 0.000 2.483 906 Y HA 0.034 4.579 4.550 -0.008 0.000 0.258 906 Y C 1.548 177.195 175.900 -0.422 0.000 1.083 906 Y CA -0.284 57.598 58.100 -0.363 0.000 1.283 906 Y CB 0.481 38.821 38.460 -0.201 0.000 1.178 906 Y HN 0.472 nan 8.280 nan 0.000 0.515 907 N N 2.265 120.613 118.700 -0.587 0.000 3.105 907 N HA -0.027 4.708 4.740 -0.007 0.000 0.309 907 N C -1.202 174.253 175.510 -0.092 0.000 1.291 907 N CA 0.258 53.151 53.050 -0.261 0.000 1.153 907 N CB -0.893 37.495 38.487 -0.164 0.000 1.447 907 N HN 0.308 nan 8.380 nan 0.000 0.555 908 N N 0.257 118.913 118.700 -0.074 0.000 2.321 908 N HA 0.256 4.991 4.740 -0.007 0.000 0.290 908 N C 0.952 176.433 175.510 -0.049 0.000 1.212 908 N CA -0.652 52.373 53.050 -0.040 0.000 0.767 908 N CB 1.550 40.024 38.487 -0.021 0.000 1.494 908 N HN -0.118 nan 8.380 nan 0.000 0.479 909 I N -0.176 120.350 120.570 -0.073 0.000 2.339 909 I HA 0.162 4.328 4.170 -0.007 0.000 0.245 909 I C 0.785 176.866 176.117 -0.059 0.000 1.096 909 I CA 1.436 62.693 61.300 -0.072 0.000 1.408 909 I CB -0.113 37.816 38.000 -0.118 0.000 1.092 909 I HN 0.512 nan 8.210 nan 0.000 0.423 910 M N 0.346 119.889 119.600 -0.095 0.000 2.387 910 M HA 0.378 4.854 4.480 -0.007 0.000 0.215 910 M C -1.473 174.719 176.300 -0.180 0.000 0.973 910 M CA -0.265 54.968 55.300 -0.112 0.000 0.924 910 M CB 1.705 34.205 32.600 -0.168 0.000 2.471 910 M HN 0.029 nan 8.290 nan 0.000 0.445 911 A N 5.367 128.120 122.820 -0.111 0.000 2.671 911 A HA 0.417 4.733 4.320 -0.007 0.000 0.306 911 A C 0.514 177.963 177.584 -0.225 0.000 1.473 911 A CA -0.304 51.654 52.037 -0.132 0.000 1.155 911 A CB -0.366 18.598 19.000 -0.060 0.000 1.123 911 A HN 1.002 nan 8.150 nan 0.000 0.545 912 L N 1.135 122.073 121.223 -0.475 0.000 2.249 912 L HA 0.108 4.443 4.340 -0.007 0.000 0.207 912 L C -0.163 176.222 176.870 -0.808 0.000 1.090 912 L CA 0.756 55.082 54.840 -0.857 0.000 0.802 912 L CB -0.230 40.989 42.059 -1.400 0.000 0.947 912 L HN 0.707 nan 8.230 nan 0.000 0.453 913 Y N -0.311 119.976 120.300 -0.022 0.000 2.462 913 Y HA 0.667 5.212 4.550 -0.008 0.000 0.346 913 Y C -0.471 175.421 175.900 -0.014 0.000 0.976 913 Y CA -0.890 57.212 58.100 0.004 0.000 1.044 913 Y CB 1.902 40.368 38.460 0.010 0.000 1.230 913 Y HN -0.240 nan 8.280 nan 0.000 0.455 914 L N 3.993 125.310 121.223 0.155 0.000 2.470 914 L HA 0.570 4.906 4.340 -0.007 0.000 0.268 914 L C -0.988 175.936 176.870 0.089 0.000 0.964 914 L CA -0.953 53.922 54.840 0.059 0.000 0.839 914 L CB 2.021 44.086 42.059 0.009 0.000 1.276 914 L HN 0.534 nan 8.230 nan 0.000 0.403 915 K N 2.106 122.545 120.400 0.064 0.000 2.385 915 K HA 0.892 5.207 4.320 -0.007 0.000 0.248 915 K C -0.431 176.224 176.600 0.092 0.000 0.955 915 K CA -0.585 55.764 56.287 0.104 0.000 0.816 915 K CB 2.281 34.860 32.500 0.131 0.000 1.250 915 K HN 0.771 nan 8.250 nan 0.000 0.434 916 T N 0.373 115.019 114.554 0.153 0.000 2.893 916 T HA 0.548 4.894 4.350 -0.007 0.000 0.293 916 T C -0.803 174.038 174.700 0.236 0.000 1.027 916 T CA -0.675 61.562 62.100 0.228 0.000 0.988 916 T CB 1.183 70.272 68.868 0.368 0.000 1.043 916 T HN 0.290 nan 8.240 nan 0.000 0.461 917 K N 2.214 122.778 120.400 0.273 0.000 2.601 917 K HA 0.569 4.885 4.320 -0.007 0.000 0.249 917 K C 0.828 177.538 176.600 0.183 0.000 0.966 917 K CA 0.365 56.758 56.287 0.177 0.000 0.827 917 K CB 1.057 33.630 32.500 0.121 0.000 1.178 917 K HN 1.357 nan 8.250 nan 0.000 0.437 918 G N 3.788 112.647 108.800 0.099 0.000 2.629 918 G HA2 -0.333 3.622 3.960 -0.007 0.000 0.313 918 G HA3 -0.333 3.622 3.960 -0.007 0.000 0.313 918 G C 0.252 175.253 174.900 0.170 0.000 1.217 918 G CA 0.633 45.770 45.100 0.061 0.000 0.994 918 G HN 0.734 nan 8.290 nan 0.000 0.549 919 D N 0.637 121.236 120.400 0.330 0.000 2.349 919 D HA 0.304 4.939 4.640 -0.007 0.000 0.214 919 D C 0.284 177.099 176.300 0.859 0.000 1.063 919 D CA 0.237 54.588 54.000 0.585 0.000 0.847 919 D CB 0.049 41.135 40.800 0.477 0.000 0.933 919 D HN 0.089 nan 8.370 nan 0.000 0.513 920 F N 0.590 120.743 119.950 0.339 0.000 2.399 920 F HA 0.458 4.980 4.527 -0.008 0.000 0.334 920 F C 0.534 176.410 175.800 0.125 0.000 1.097 920 F CA -1.188 56.928 58.000 0.193 0.000 1.076 920 F CB 1.022 40.106 39.000 0.140 0.000 1.162 920 F HN -0.318 nan 8.300 nan 0.000 0.495 921 I N 3.947 124.549 120.570 0.053 0.000 2.466 921 I HA 0.292 4.457 4.170 -0.007 0.000 0.289 921 I C -1.193 174.808 176.117 -0.194 0.000 1.026 921 I CA -0.838 60.389 61.300 -0.121 0.000 1.078 921 I CB 1.933 39.731 38.000 -0.337 0.000 1.249 921 I HN 0.266 nan 8.210 nan 0.000 0.429 922 L N 8.264 129.400 121.223 -0.146 0.000 2.257 922 L HA 0.510 4.845 4.340 -0.007 0.000 0.290 922 L C -0.608 176.172 176.870 -0.149 0.000 1.044 922 L CA -0.193 54.527 54.840 -0.201 0.000 0.810 922 L CB 1.158 43.138 42.059 -0.132 0.000 1.193 922 L HN 0.332 nan 8.230 nan 0.000 0.425 923 V N 4.910 124.708 119.914 -0.193 0.000 2.370 923 V HA 0.625 4.740 4.120 -0.007 0.000 0.279 923 V C 0.756 176.811 176.094 -0.064 0.000 1.029 923 V CA -0.443 61.771 62.300 -0.144 0.000 0.870 923 V CB 1.098 32.786 31.823 -0.226 0.000 0.984 923 V HN 0.891 nan 8.190 nan 0.000 0.451 924 G N 2.608 111.433 108.800 0.041 0.000 2.319 924 G HA2 0.488 4.443 3.960 -0.007 0.000 0.308 924 G HA3 0.488 4.443 3.960 -0.007 0.000 0.308 924 G C -0.850 174.076 174.900 0.044 0.000 1.117 924 G CA -0.276 44.907 45.100 0.140 0.000 0.903 924 G HN 0.733 nan 8.290 nan 0.000 0.436 925 D N 1.645 122.035 120.400 -0.016 0.000 2.225 925 D HA 0.190 4.825 4.640 -0.007 0.000 0.249 925 D C 1.699 177.930 176.300 -0.115 0.000 1.052 925 D CA -0.701 53.234 54.000 -0.108 0.000 0.909 925 D CB 1.559 42.275 40.800 -0.140 0.000 1.186 925 D HN 0.139 nan 8.370 nan 0.000 0.431 926 L N 3.364 124.468 121.223 -0.197 0.000 2.089 926 L HA -0.184 4.152 4.340 -0.007 0.000 0.213 926 L C 1.553 178.162 176.870 -0.434 0.000 1.079 926 L CA 2.119 56.842 54.840 -0.195 0.000 0.758 926 L CB -0.249 41.692 42.059 -0.196 0.000 0.891 926 L HN 0.779 nan 8.230 nan 0.000 0.433 927 M N -5.045 114.202 119.600 -0.590 0.000 2.198 927 M HA 0.353 4.828 4.480 -0.007 0.000 0.326 927 M C 0.513 176.476 176.300 -0.561 0.000 0.924 927 M CA -0.086 54.613 55.300 -1.002 0.000 1.118 927 M CB 0.501 32.287 32.600 -1.358 0.000 1.947 927 M HN -0.162 nan 8.290 nan 0.000 0.662 928 R N 2.014 122.315 120.500 -0.332 0.000 3.039 928 R HA 0.491 4.827 4.340 -0.007 0.000 0.336 928 R C 0.225 176.430 176.300 -0.159 0.000 1.258 928 R CA -0.118 55.848 56.100 -0.224 0.000 1.125 928 R CB -0.369 29.816 30.300 -0.193 0.000 1.427 928 R HN 0.650 nan 8.270 nan 0.000 0.588 929 S N -0.515 115.122 115.700 -0.105 0.000 3.762 929 S HA -0.251 4.215 4.470 -0.007 0.000 0.627 929 S C 0.098 174.715 174.600 0.027 0.000 2.389 929 S CA 1.329 59.540 58.200 0.018 0.000 3.978 929 S CB -0.843 62.335 63.200 -0.037 0.000 0.234 929 S HN 0.418 nan 8.310 nan 0.000 0.960 930 V N 0.397 120.331 119.914 0.033 0.000 2.715 930 V HA 0.944 5.060 4.120 -0.007 0.000 0.310 930 V C -0.591 175.424 176.094 -0.133 0.000 1.054 930 V CA -0.523 61.765 62.300 -0.020 0.000 0.928 930 V CB 1.584 33.428 31.823 0.035 0.000 1.007 930 V HN 1.056 nan 8.190 nan 0.000 0.437 931 L N 4.425 125.534 121.223 -0.190 0.000 2.385 931 L HA 0.747 5.082 4.340 -0.007 0.000 0.273 931 L C -1.091 175.577 176.870 -0.336 0.000 0.990 931 L CA -0.686 53.997 54.840 -0.261 0.000 0.821 931 L CB 1.682 43.586 42.059 -0.258 0.000 1.279 931 L HN 0.871 nan 8.230 nan 0.000 0.412 932 L N 5.756 126.762 121.223 -0.362 0.000 2.265 932 L HA 0.566 4.901 4.340 -0.007 0.000 0.289 932 L C -1.130 175.504 176.870 -0.392 0.000 1.033 932 L CA 0.126 54.711 54.840 -0.425 0.000 0.814 932 L CB 0.777 42.558 42.059 -0.463 0.000 1.203 932 L HN 0.624 nan 8.230 nan 0.000 0.423 933 L N 4.311 125.285 121.223 -0.415 0.000 2.352 933 L HA 0.882 5.217 4.340 -0.007 0.000 0.269 933 L C -0.169 176.485 176.870 -0.361 0.000 1.034 933 L CA -0.809 53.787 54.840 -0.407 0.000 0.806 933 L CB 1.810 43.541 42.059 -0.546 0.000 1.244 933 L HN 0.737 nan 8.230 nan 0.000 0.447 934 A N 1.279 123.958 122.820 -0.235 0.000 2.359 934 A HA 0.428 4.743 4.320 -0.007 0.000 0.303 934 A C -1.511 176.191 177.584 0.196 0.000 1.066 934 A CA -0.413 51.527 52.037 -0.161 0.000 0.730 934 A CB 0.924 19.681 19.000 -0.405 0.000 1.211 934 A HN 0.542 nan 8.150 nan 0.000 0.439 935 Y N 3.064 123.516 120.300 0.254 0.000 2.402 935 Y HA 0.354 4.900 4.550 -0.007 0.000 0.333 935 Y C -0.029 175.940 175.900 0.115 0.000 1.076 935 Y CA -0.135 58.100 58.100 0.225 0.000 1.299 935 Y CB 0.812 39.517 38.460 0.410 0.000 1.197 935 Y HN 0.444 nan 8.280 nan 0.000 0.517 936 K N 9.328 129.410 120.400 -0.530 0.000 2.257 936 K HA 0.215 4.530 4.320 -0.007 0.000 0.270 936 K C -2.162 173.954 176.600 -0.808 0.000 1.098 936 K CA -1.917 54.084 56.287 -0.477 0.000 0.943 936 K CB 1.092 33.446 32.500 -0.242 0.000 1.316 936 K HN 0.517 nan 8.250 nan 0.000 0.447 937 P HA -0.046 nan 4.420 nan 0.000 0.218 937 P C 1.108 178.275 177.300 -0.223 0.000 1.149 937 P CA 0.925 63.735 63.100 -0.482 0.000 0.817 937 P CB 0.252 31.905 31.700 -0.079 0.000 0.785 938 M N -1.436 118.058 119.600 -0.177 0.000 2.492 938 M HA -0.001 4.475 4.480 -0.007 0.000 0.262 938 M C 1.881 178.121 176.300 -0.100 0.000 1.090 938 M CA 1.500 56.742 55.300 -0.098 0.000 1.110 938 M CB -1.326 31.234 32.600 -0.067 0.000 1.407 938 M HN 0.035 nan 8.290 nan 0.000 0.470 939 E N -0.529 119.578 120.200 -0.154 0.000 2.413 939 E HA 0.410 4.755 4.350 -0.007 0.000 0.203 939 E C 1.445 177.974 176.600 -0.119 0.000 0.957 939 E CA 0.743 57.073 56.400 -0.117 0.000 0.950 939 E CB -0.413 29.221 29.700 -0.109 0.000 0.957 939 E HN 0.563 nan 8.360 nan 0.000 0.497 940 G N 1.150 109.835 108.800 -0.193 0.000 2.160 940 G HA2 -0.214 3.741 3.960 -0.007 0.000 0.244 940 G HA3 -0.214 3.741 3.960 -0.007 0.000 0.244 940 G C 0.098 174.944 174.900 -0.089 0.000 1.022 940 G CA 0.888 45.941 45.100 -0.080 0.000 0.741 940 G HN 1.150 nan 8.290 nan 0.000 0.508 941 N N -1.321 117.255 118.700 -0.207 0.000 2.697 941 N HA 0.777 5.513 4.740 -0.007 0.000 0.272 941 N C -0.541 174.842 175.510 -0.212 0.000 1.381 941 N CA -1.408 51.531 53.050 -0.186 0.000 0.797 941 N CB 0.808 39.256 38.487 -0.066 0.000 1.523 941 N HN -0.009 nan 8.380 nan 0.000 0.518 942 F N -0.746 119.234 119.950 0.050 0.000 2.377 942 F HA 0.395 4.917 4.527 -0.007 0.000 0.328 942 F C 0.742 176.530 175.800 -0.021 0.000 1.094 942 F CA -0.479 57.532 58.000 0.018 0.000 1.093 942 F CB 1.369 40.367 39.000 -0.004 0.000 1.214 942 F HN 0.544 nan 8.300 nan 0.000 0.518 943 E N 1.819 122.113 120.200 0.158 0.000 2.256 943 E HA 0.213 4.558 4.350 -0.007 0.000 0.268 943 E C -1.406 175.168 176.600 -0.043 0.000 0.877 943 E CA -0.720 55.707 56.400 0.044 0.000 0.757 943 E CB 1.190 30.884 29.700 -0.010 0.000 1.183 943 E HN 0.576 nan 8.360 nan 0.000 0.418 944 E N 5.113 125.289 120.200 -0.040 0.000 2.257 944 E HA 0.065 4.410 4.350 -0.007 0.000 0.278 944 E C 0.736 177.269 176.600 -0.111 0.000 1.049 944 E CA -0.273 56.058 56.400 -0.115 0.000 0.876 944 E CB 0.919 30.591 29.700 -0.046 0.000 1.035 944 E HN 0.551 nan 8.360 nan 0.000 0.419 945 I N 1.657 122.119 120.570 -0.180 0.000 2.339 945 I HA 0.046 4.212 4.170 -0.007 0.000 0.245 945 I C 0.972 177.044 176.117 -0.075 0.000 1.096 945 I CA 0.958 62.173 61.300 -0.143 0.000 1.408 945 I CB -0.755 37.103 38.000 -0.236 0.000 1.092 945 I HN 0.441 nan 8.210 nan 0.000 0.423 946 A N 0.143 122.900 122.820 -0.105 0.000 2.612 946 A HA 0.749 5.064 4.320 -0.007 0.000 0.293 946 A C -0.482 177.023 177.584 -0.130 0.000 1.075 946 A CA -0.598 51.407 52.037 -0.054 0.000 0.680 946 A CB 2.278 21.279 19.000 0.003 0.000 1.279 946 A HN 0.152 nan 8.150 nan 0.000 0.411 947 R N 0.513 120.932 120.500 -0.134 0.000 2.668 947 R HA 0.453 4.788 4.340 -0.007 0.000 0.272 947 R C -2.057 174.075 176.300 -0.280 0.000 1.019 947 R CA -0.545 55.366 56.100 -0.314 0.000 0.894 947 R CB 1.887 31.826 30.300 -0.601 0.000 1.228 947 R HN 0.800 nan 8.270 nan 0.000 0.460 948 D N 2.904 123.160 120.400 -0.239 0.000 2.313 948 D HA 0.143 4.779 4.640 -0.007 0.000 0.239 948 D C 0.052 176.215 176.300 -0.230 0.000 1.142 948 D CA -0.225 53.703 54.000 -0.119 0.000 0.847 948 D CB 0.525 41.308 40.800 -0.028 0.000 1.082 948 D HN 0.439 nan 8.370 nan 0.000 0.480 949 F N 1.540 121.456 119.950 -0.058 0.000 2.780 949 F HA 0.122 4.644 4.527 -0.007 0.000 0.299 949 F C 1.190 176.942 175.800 -0.081 0.000 1.146 949 F CA -0.162 57.800 58.000 -0.062 0.000 1.428 949 F CB -0.013 38.958 39.000 -0.048 0.000 1.115 949 F HN 0.238 nan 8.300 nan 0.000 0.583 950 N N 3.882 122.596 118.700 0.023 0.000 2.452 950 N HA 0.067 4.802 4.740 -0.007 0.000 0.266 950 N C -2.502 172.950 175.510 -0.098 0.000 1.175 950 N CA -0.992 52.021 53.050 -0.062 0.000 0.945 950 N CB 0.309 38.697 38.487 -0.165 0.000 1.063 950 N HN -0.071 nan 8.380 nan 0.000 0.472 951 P HA 0.081 nan 4.420 nan 0.000 0.268 951 P C -0.740 176.508 177.300 -0.086 0.000 1.204 951 P CA 0.130 63.167 63.100 -0.104 0.000 0.768 951 P CB 0.727 32.388 31.700 -0.065 0.000 0.842 952 N N 2.450 121.079 118.700 -0.117 0.000 2.478 952 N HA 0.108 4.843 4.740 -0.007 0.000 0.291 952 N C -1.239 174.259 175.510 -0.019 0.000 1.090 952 N CA -0.298 52.755 53.050 0.006 0.000 0.911 952 N CB 0.969 39.464 38.487 0.013 0.000 1.546 952 N HN 0.336 nan 8.380 nan 0.000 0.500 953 W N 3.295 124.612 121.300 0.030 0.000 2.581 953 W HA 0.286 4.941 4.660 -0.007 0.000 0.359 953 W C 0.466 177.009 176.519 0.040 0.000 1.167 953 W CA -0.430 56.933 57.345 0.030 0.000 1.517 953 W CB 0.173 29.636 29.460 0.005 0.000 1.519 953 W HN 0.190 nan 8.180 nan 0.000 0.431 954 M N 2.424 122.156 119.600 0.219 0.000 2.233 954 M HA 0.072 4.548 4.480 -0.007 0.000 0.350 954 M C 1.330 177.717 176.300 0.145 0.000 1.176 954 M CA 0.157 55.564 55.300 0.178 0.000 1.150 954 M CB 0.979 33.723 32.600 0.240 0.000 1.530 954 M HN 0.512 nan 8.290 nan 0.000 0.459 955 S N 0.396 115.981 115.700 -0.191 0.000 2.524 955 S HA 0.627 5.092 4.470 -0.007 0.000 0.222 955 S C 0.382 174.496 174.600 -0.809 0.000 1.040 955 S CA 0.219 58.204 58.200 -0.359 0.000 0.915 955 S CB 0.526 63.289 63.200 -0.728 0.000 0.831 955 S HN 0.884 nan 8.310 nan 0.000 0.492 956 A N 0.651 122.995 122.820 -0.793 0.000 2.590 956 A HA 0.662 4.977 4.320 -0.007 0.000 0.294 956 A C -1.058 176.408 177.584 -0.196 0.000 1.046 956 A CA -0.281 51.351 52.037 -0.675 0.000 0.684 956 A CB 1.006 19.679 19.000 -0.545 0.000 1.279 956 A HN 1.288 nan 8.150 nan 0.000 0.415 957 V N -1.632 118.281 119.914 -0.001 0.000 3.078 957 V HA 1.045 5.160 4.120 -0.007 0.000 0.311 957 V C -0.921 175.198 176.094 0.042 0.000 1.138 957 V CA -0.621 61.695 62.300 0.026 0.000 1.007 957 V CB 1.827 33.653 31.823 0.005 0.000 1.045 957 V HN 1.375 nan 8.190 nan 0.000 0.432 958 E N 1.587 121.683 120.200 -0.172 0.000 2.392 958 E HA 0.617 4.962 4.350 -0.007 0.000 0.279 958 E C -1.607 174.981 176.600 -0.020 0.000 0.964 958 E CA -0.624 55.694 56.400 -0.136 0.000 0.777 958 E CB 2.067 31.507 29.700 -0.433 0.000 1.249 958 E HN 0.879 nan 8.360 nan 0.000 0.449 959 I N 5.606 126.262 120.570 0.144 0.000 2.312 959 I HA 0.174 4.339 4.170 -0.007 0.000 0.291 959 I C 0.938 177.161 176.117 0.177 0.000 1.031 959 I CA -0.211 61.234 61.300 0.242 0.000 1.293 959 I CB 0.692 38.872 38.000 0.300 0.000 1.403 959 I HN 0.557 nan 8.210 nan 0.000 0.484 960 L N 4.991 126.219 121.223 0.009 0.000 2.162 960 L HA 0.055 4.391 4.340 -0.007 0.000 0.205 960 L C 0.208 177.069 176.870 -0.016 0.000 1.086 960 L CA 0.823 55.657 54.840 -0.010 0.000 0.778 960 L CB -0.253 41.723 42.059 -0.139 0.000 0.928 960 L HN 0.778 nan 8.230 nan 0.000 0.446 961 D N -4.876 115.452 120.400 -0.119 0.000 2.792 961 D HA 0.040 4.675 4.640 -0.007 0.000 0.335 961 D C -0.103 176.095 176.300 -0.169 0.000 1.353 961 D CA -0.617 53.311 54.000 -0.120 0.000 0.839 961 D CB 0.208 40.931 40.800 -0.129 0.000 1.396 961 D HN -0.317 nan 8.370 nan 0.000 0.479 962 D N -0.865 119.456 120.400 -0.131 0.000 2.254 962 D HA -0.104 4.532 4.640 -0.007 0.000 0.201 962 D C 0.123 176.358 176.300 -0.108 0.000 0.998 962 D CA 1.312 55.243 54.000 -0.116 0.000 0.885 962 D CB -0.017 40.685 40.800 -0.164 0.000 0.915 962 D HN 0.380 nan 8.370 nan 0.000 0.460 963 D N -0.719 119.498 120.400 -0.305 0.000 2.556 963 D HA 0.124 4.760 4.640 -0.007 0.000 0.237 963 D C -0.360 175.517 176.300 -0.705 0.000 1.296 963 D CA -0.133 53.658 54.000 -0.347 0.000 0.807 963 D CB 0.521 41.224 40.800 -0.163 0.000 1.084 963 D HN 0.084 nan 8.370 nan 0.000 0.510 964 N N 0.740 118.777 118.700 -1.104 0.000 2.500 964 N HA 0.241 4.976 4.740 -0.007 0.000 0.291 964 N C -1.370 173.571 175.510 -0.948 0.000 1.092 964 N CA -0.264 52.267 53.050 -0.865 0.000 0.890 964 N CB 1.728 39.953 38.487 -0.438 0.000 1.466 964 N HN -0.157 nan 8.380 nan 0.000 0.507 965 F N 1.645 121.557 119.950 -0.063 0.000 2.477 965 F HA 0.405 4.928 4.527 -0.007 0.000 0.335 965 F C 0.089 175.789 175.800 -0.167 0.000 1.130 965 F CA -1.026 56.922 58.000 -0.088 0.000 0.948 965 F CB 1.591 40.568 39.000 -0.038 0.000 1.154 965 F HN 0.196 nan 8.300 nan 0.000 0.439 966 L N 3.184 124.327 121.223 -0.133 0.000 2.292 966 L HA 0.867 5.202 4.340 -0.007 0.000 0.284 966 L C -0.030 176.556 176.870 -0.472 0.000 1.065 966 L CA 0.066 54.698 54.840 -0.347 0.000 0.806 966 L CB 1.128 42.877 42.059 -0.517 0.000 1.175 966 L HN 0.679 nan 8.230 nan 0.000 0.431 967 G N 3.470 111.841 108.800 -0.716 0.000 2.524 967 G HA2 0.782 4.738 3.960 -0.007 0.000 0.310 967 G HA3 0.782 4.738 3.960 -0.007 0.000 0.310 967 G C -1.746 172.830 174.900 -0.540 0.000 1.279 967 G CA -0.289 44.323 45.100 -0.814 0.000 0.974 967 G HN 0.939 nan 8.290 nan 0.000 0.484 968 A N 1.254 123.956 122.820 -0.196 0.000 2.355 968 A HA 0.889 5.205 4.320 -0.007 0.000 0.317 968 A C -0.309 177.173 177.584 -0.170 0.000 1.094 968 A CA -0.665 51.269 52.037 -0.172 0.000 0.764 968 A CB 1.777 20.622 19.000 -0.258 0.000 1.230 968 A HN 0.892 nan 8.150 nan 0.000 0.448 969 E N 0.389 120.507 120.200 -0.136 0.000 2.404 969 E HA 0.600 4.946 4.350 -0.007 0.000 0.264 969 E C 0.560 176.956 176.600 -0.339 0.000 0.946 969 E CA -0.259 56.076 56.400 -0.108 0.000 0.806 969 E CB 0.325 30.126 29.700 0.168 0.000 1.334 969 E HN 0.491 nan 8.360 nan 0.000 0.429 970 N N -0.242 118.318 118.700 -0.233 0.000 2.550 970 N HA 0.065 4.801 4.740 -0.007 0.000 0.186 970 N C 1.156 176.326 175.510 -0.567 0.000 1.110 970 N CA 0.955 53.845 53.050 -0.267 0.000 0.912 970 N CB -0.346 38.143 38.487 0.004 0.000 0.968 970 N HN 0.653 nan 8.380 nan 0.000 0.448 971 A N -1.179 121.289 122.820 -0.586 0.000 2.545 971 A HA 0.572 4.887 4.320 -0.007 0.000 0.277 971 A C 0.379 177.521 177.584 -0.736 0.000 1.301 971 A CA -0.286 51.273 52.037 -0.797 0.000 0.935 971 A CB -0.652 18.093 19.000 -0.425 0.000 1.093 971 A HN 0.707 nan 8.150 nan 0.000 0.519 972 F N -1.662 118.195 119.950 -0.155 0.000 2.893 972 F HA -0.201 4.321 4.527 -0.008 0.000 0.287 972 F C 0.128 175.633 175.800 -0.493 0.000 0.766 972 F CA 0.238 58.062 58.000 -0.294 0.000 1.362 972 F CB -2.276 36.566 39.000 -0.263 0.000 1.518 972 F HN 0.388 nan 8.300 nan 0.000 0.417 973 N N 1.420 119.938 118.700 -0.304 0.000 2.384 973 N HA 0.781 5.517 4.740 -0.007 0.000 0.301 973 N C -0.436 175.008 175.510 -0.109 0.000 1.133 973 N CA -0.657 52.217 53.050 -0.295 0.000 0.853 973 N CB 2.332 40.470 38.487 -0.582 0.000 1.241 973 N HN 0.075 nan 8.380 nan 0.000 0.502 974 L N 1.316 122.497 121.223 -0.069 0.000 2.334 974 L HA 0.619 4.955 4.340 -0.007 0.000 0.272 974 L C -0.629 176.350 176.870 0.182 0.000 1.020 974 L CA -0.935 53.862 54.840 -0.071 0.000 0.812 974 L CB 0.759 42.640 42.059 -0.296 0.000 1.264 974 L HN 0.554 nan 8.230 nan 0.000 0.439 975 F N 0.158 120.176 119.950 0.113 0.000 2.645 975 F HA 0.809 5.331 4.527 -0.008 0.000 0.310 975 F C -1.340 174.567 175.800 0.179 0.000 1.102 975 F CA -1.098 57.006 58.000 0.173 0.000 0.952 975 F CB 1.307 40.376 39.000 0.114 0.000 1.326 975 F HN -0.002 nan 8.300 nan 0.000 0.456 976 V N 1.710 121.820 119.914 0.328 0.000 2.495 976 V HA 0.501 4.617 4.120 -0.007 0.000 0.298 976 V C -0.637 175.564 176.094 0.179 0.000 1.031 976 V CA -0.655 61.722 62.300 0.128 0.000 0.871 976 V CB 1.533 33.350 31.823 -0.011 0.000 0.988 976 V HN 1.108 nan 8.190 nan 0.000 0.432 977 C N 4.005 123.407 119.300 0.171 0.000 2.391 977 C HA 0.714 5.170 4.460 -0.007 0.000 0.339 977 C C 0.197 175.259 174.990 0.120 0.000 1.205 977 C CA -0.451 58.691 59.018 0.206 0.000 1.937 977 C CB 1.381 29.317 27.740 0.326 0.000 2.341 977 C HN 0.945 nan 8.230 nan 0.000 0.516 991 H N 0.019 119.192 119.070 0.171 0.000 2.459 991 H HA 0.848 5.400 4.556 -0.007 0.000 0.332 991 H C -0.137 175.275 175.328 0.140 0.000 1.094 991 H CA -0.653 55.530 56.048 0.226 0.000 1.224 991 H CB 1.005 30.874 29.762 0.180 0.000 1.449 991 H HN 0.476 nan 8.280 nan 0.000 0.484 992 L N 2.895 124.192 121.223 0.122 0.000 2.290 992 L HA 0.230 4.565 4.340 -0.007 0.000 0.284 992 L C 0.725 177.655 176.870 0.099 0.000 1.078 992 L CA -0.188 54.720 54.840 0.113 0.000 0.815 992 L CB 1.489 43.613 42.059 0.108 0.000 1.162 992 L HN 0.771 nan 8.230 nan 0.000 0.435 993 Q N 2.982 122.831 119.800 0.082 0.000 2.279 993 Q HA 0.139 4.474 4.340 -0.007 0.000 0.256 993 Q C -0.559 175.466 176.000 0.042 0.000 0.937 993 Q CA -0.431 55.398 55.803 0.043 0.000 0.933 993 Q CB 0.956 29.706 28.738 0.020 0.000 1.189 993 Q HN 0.469 nan 8.270 nan 0.000 0.417 994 E N 3.302 123.508 120.200 0.010 0.000 1.932 994 E HA 0.023 4.369 4.350 -0.007 0.000 0.275 994 E C 0.580 177.179 176.600 -0.003 0.000 1.159 994 E CA -0.196 56.212 56.400 0.014 0.000 0.905 994 E CB 0.546 30.182 29.700 -0.107 0.000 1.059 994 E HN 0.612 nan 8.360 nan 0.000 0.400 995 V N 0.641 120.561 119.914 0.011 0.000 3.590 995 V HA 0.350 4.465 4.120 -0.007 0.000 0.265 995 V C 0.712 176.786 176.094 -0.034 0.000 1.239 995 V CA 0.303 62.575 62.300 -0.046 0.000 1.117 995 V CB 0.637 32.393 31.823 -0.111 0.000 0.818 995 V HN 0.375 nan 8.190 nan 0.000 0.451 996 G N 0.463 109.308 108.800 0.074 0.000 2.591 996 G HA2 0.739 4.695 3.960 -0.007 0.000 0.306 996 G HA3 0.739 4.695 3.960 -0.007 0.000 0.306 996 G C -1.572 173.580 174.900 0.419 0.000 1.334 996 G CA -0.735 44.513 45.100 0.246 0.000 0.981 996 G HN 0.237 nan 8.290 nan 0.000 0.491 997 L N 1.004 122.497 121.223 0.451 0.000 2.455 997 L HA 0.698 5.034 4.340 -0.007 0.000 0.264 997 L C -1.551 175.504 176.870 0.308 0.000 0.968 997 L CA -0.768 54.262 54.840 0.317 0.000 0.827 997 L CB 2.765 44.875 42.059 0.085 0.000 1.317 997 L HN 0.540 nan 8.230 nan 0.000 0.407 998 F N 1.177 121.095 119.950 -0.052 0.000 2.623 998 F HA 0.329 4.852 4.527 -0.008 0.000 0.323 998 F C -0.716 174.924 175.800 -0.267 0.000 1.158 998 F CA -0.572 57.240 58.000 -0.313 0.000 1.030 998 F CB 1.298 39.730 39.000 -0.947 0.000 1.280 998 F HN 0.500 nan 8.300 nan 0.000 0.474 999 H N 6.012 124.599 119.070 -0.805 0.000 2.864 999 H HA 0.328 4.879 4.556 -0.008 0.000 0.281 999 H C 0.428 175.108 175.328 -1.080 0.000 1.093 999 H CA 0.147 55.701 56.048 -0.822 0.000 1.453 999 H CB 1.209 30.493 29.762 -0.797 0.000 1.462 999 H HN 0.762 nan 8.280 nan 0.000 0.480 1000 L N 4.428 125.114 121.223 -0.894 0.000 2.127 1000 L HA 0.224 4.559 4.340 -0.007 0.000 0.203 1000 L C 1.807 178.334 176.870 -0.571 0.000 1.080 1000 L CA 1.813 56.340 54.840 -0.523 0.000 0.768 1000 L CB -0.280 41.650 42.059 -0.214 0.000 0.924 1000 L HN 0.963 nan 8.230 nan 0.000 0.444 1001 G N -1.128 107.248 108.800 -0.706 0.000 2.176 1001 G HA2 -0.174 3.782 3.960 -0.007 0.000 0.232 1001 G HA3 -0.174 3.782 3.960 -0.007 0.000 0.232 1001 G C 0.097 174.908 174.900 -0.149 0.000 0.986 1001 G CA 0.244 45.162 45.100 -0.303 0.000 0.643 1001 G HN 0.408 nan 8.290 nan 0.000 0.522 1002 E N -1.064 119.097 120.200 -0.065 0.000 2.369 1002 E HA 0.599 4.944 4.350 -0.007 0.000 0.270 1002 E C -1.375 175.361 176.600 0.227 0.000 0.909 1002 E CA -0.944 55.492 56.400 0.060 0.000 0.775 1002 E CB 1.914 31.683 29.700 0.115 0.000 1.270 1002 E HN 0.149 nan 8.360 nan 0.000 0.445 1003 F N 1.782 121.818 119.950 0.143 0.000 2.361 1003 F HA 0.258 4.781 4.527 -0.007 0.000 0.364 1003 F C -0.407 175.391 175.800 -0.005 0.000 1.120 1003 F CA -0.684 57.403 58.000 0.145 0.000 1.102 1003 F CB 0.743 39.873 39.000 0.217 0.000 1.183 1003 F HN 0.057 nan 8.300 nan 0.000 0.476 1004 V N 7.290 127.069 119.914 -0.225 0.000 2.432 1004 V HA 0.095 4.211 4.120 -0.007 0.000 0.271 1004 V C 0.449 176.373 176.094 -0.285 0.000 1.046 1004 V CA -0.264 61.851 62.300 -0.308 0.000 0.945 1004 V CB 0.945 32.358 31.823 -0.683 0.000 0.992 1004 V HN 0.768 nan 8.190 nan 0.000 0.471 1005 N N 2.919 121.558 118.700 -0.103 0.000 2.388 1005 N HA 0.132 4.867 4.740 -0.007 0.000 0.176 1005 N C -0.083 175.345 175.510 -0.136 0.000 1.062 1005 N CA 0.586 53.616 53.050 -0.032 0.000 0.895 1005 N CB 1.489 40.023 38.487 0.078 0.000 1.018 1005 N HN 0.493 nan 8.380 nan 0.000 0.456 1006 V N 0.329 120.109 119.914 -0.223 0.000 2.969 1006 V HA 0.478 4.594 4.120 -0.007 0.000 0.304 1006 V C -1.957 173.977 176.094 -0.267 0.000 1.192 1006 V CA -0.823 61.379 62.300 -0.164 0.000 0.962 1006 V CB 1.648 33.459 31.823 -0.020 0.000 1.045 1006 V HN -0.083 nan 8.190 nan 0.000 0.428 1007 F N 5.334 125.295 119.950 0.019 0.000 2.482 1007 F HA 0.788 5.311 4.527 -0.007 0.000 0.331 1007 F C 0.226 176.036 175.800 0.017 0.000 1.115 1007 F CA -0.534 57.482 58.000 0.027 0.000 0.955 1007 F CB 1.792 40.767 39.000 -0.041 0.000 1.136 1007 F HN 0.801 nan 8.300 nan 0.000 0.452 1008 C N 0.466 119.890 119.300 0.207 0.000 2.888 1008 C HA 0.483 4.938 4.460 -0.007 0.000 0.308 1008 C C -0.517 174.505 174.990 0.054 0.000 1.213 1008 C CA -1.109 57.989 59.018 0.132 0.000 1.461 1008 C CB 1.147 28.975 27.740 0.146 0.000 1.934 1008 C HN 0.719 nan 8.230 nan 0.000 0.474 1009 H N 0.943 120.079 119.070 0.110 0.000 2.886 1009 H HA 0.535 5.087 4.556 -0.007 0.000 0.329 1009 H C 0.742 176.111 175.328 0.067 0.000 1.044 1009 H CA 2.269 58.363 56.048 0.077 0.000 1.456 1009 H CB 0.892 30.689 29.762 0.058 0.000 1.464 1009 H HN 1.290 nan 8.280 nan 0.000 0.573 1010 G N 0.905 109.797 108.800 0.152 0.000 2.369 1010 G HA2 0.227 4.182 3.960 -0.007 0.000 0.293 1010 G HA3 0.227 4.182 3.960 -0.007 0.000 0.293 1010 G C -1.419 173.522 174.900 0.068 0.000 1.301 1010 G CA -0.208 44.952 45.100 0.100 0.000 0.913 1010 G HN 0.653 nan 8.290 nan 0.000 0.540 1011 S N -1.573 114.158 115.700 0.052 0.000 2.542 1011 S HA 0.510 4.976 4.470 -0.007 0.000 0.276 1011 S C 0.331 174.951 174.600 0.034 0.000 1.148 1011 S CA -0.494 57.731 58.200 0.042 0.000 0.886 1011 S CB 1.265 64.486 63.200 0.036 0.000 1.109 1011 S HN 0.947 nan 8.310 nan 0.000 0.458 1012 L N 3.211 124.456 121.223 0.036 0.000 2.591 1012 L HA 0.274 4.610 4.340 -0.007 0.000 0.228 1012 L C 0.247 177.132 176.870 0.024 0.000 1.133 1012 L CA 0.166 55.025 54.840 0.032 0.000 0.880 1012 L CB 0.086 42.167 42.059 0.037 0.000 1.033 1012 L HN 0.389 nan 8.230 nan 0.000 0.450 1025 Q N 0.292 120.006 119.800 -0.143 0.000 2.333 1025 Q HA 0.837 5.172 4.340 -0.007 0.000 0.267 1025 Q C 0.688 176.655 176.000 -0.055 0.000 1.012 1025 Q CA 0.104 55.849 55.803 -0.095 0.000 0.824 1025 Q CB 0.961 29.645 28.738 -0.089 0.000 1.290 1025 Q HN 2.739 nan 8.270 nan 0.000 0.449 1026 G N 0.373 109.157 108.800 -0.028 0.000 2.829 1026 G HA2 0.276 4.231 3.960 -0.007 0.000 0.628 1026 G HA3 0.276 4.231 3.960 -0.007 0.000 0.628 1026 G C 0.139 175.058 174.900 0.033 0.000 1.412 1026 G CA 0.216 45.330 45.100 0.023 0.000 0.864 1026 G HN 2.048 nan 8.290 nan 0.000 0.544 1027 S N -1.104 114.641 115.700 0.075 0.000 2.481 1027 S HA 0.508 4.974 4.470 -0.007 0.000 0.262 1027 S C -0.765 173.860 174.600 0.042 0.000 1.061 1027 S CA 0.084 58.319 58.200 0.059 0.000 1.039 1027 S CB 1.028 64.262 63.200 0.056 0.000 1.170 1027 S HN 1.686 nan 8.310 nan 0.000 0.437 1028 V N 6.356 126.272 119.914 0.003 0.000 2.378 1028 V HA 0.541 4.656 4.120 -0.007 0.000 0.288 1028 V C -0.087 176.077 176.094 0.117 0.000 1.016 1028 V CA -0.603 61.675 62.300 -0.036 0.000 0.840 1028 V CB 1.361 33.085 31.823 -0.165 0.000 0.994 1028 V HN 0.797 nan 8.190 nan 0.000 0.431 1029 L N 5.526 126.808 121.223 0.100 0.000 2.379 1029 L HA 0.708 5.044 4.340 -0.007 0.000 0.269 1029 L C -0.463 176.518 176.870 0.184 0.000 1.084 1029 L CA -0.388 54.475 54.840 0.038 0.000 0.802 1029 L CB 1.203 43.250 42.059 -0.019 0.000 1.175 1029 L HN 0.718 nan 8.230 nan 0.000 0.448 1030 F N -0.795 119.185 119.950 0.050 0.000 2.588 1030 F HA 0.886 5.408 4.527 -0.008 0.000 0.310 1030 F C -0.085 175.657 175.800 -0.097 0.000 1.082 1030 F CA -0.955 57.001 58.000 -0.074 0.000 0.929 1030 F CB 1.333 40.211 39.000 -0.203 0.000 1.254 1030 F HN 0.375 nan 8.300 nan 0.000 0.455 1031 G N 0.368 109.208 108.800 0.066 0.000 2.453 1031 G HA2 0.620 4.576 3.960 -0.007 0.000 0.323 1031 G HA3 0.620 4.576 3.960 -0.007 0.000 0.323 1031 G C -1.624 173.315 174.900 0.065 0.000 1.198 1031 G CA -0.937 44.181 45.100 0.030 0.000 0.959 1031 G HN 0.802 nan 8.290 nan 0.000 0.482 1032 T N 0.354 114.955 114.554 0.079 0.000 2.903 1032 T HA 0.259 4.604 4.350 -0.007 0.000 0.299 1032 T C 1.390 176.147 174.700 0.096 0.000 1.093 1032 T CA -0.404 61.770 62.100 0.123 0.000 1.002 1032 T CB 2.015 70.972 68.868 0.148 0.000 1.127 1032 T HN 0.186 nan 8.240 nan 0.000 0.488 1033 V N 2.651 122.644 119.914 0.132 0.000 2.380 1033 V HA -0.181 3.935 4.120 -0.007 0.000 0.251 1033 V C 1.819 177.928 176.094 0.025 0.000 1.063 1033 V CA 2.017 64.348 62.300 0.052 0.000 1.055 1033 V CB -0.620 31.203 31.823 -0.000 0.000 0.657 1033 V HN 0.793 nan 8.190 nan 0.000 0.455 1034 N N -0.304 118.420 118.700 0.041 0.000 2.461 1034 N HA 0.211 4.946 4.740 -0.007 0.000 0.188 1034 N C 1.288 176.809 175.510 0.020 0.000 1.134 1034 N CA 0.566 53.630 53.050 0.022 0.000 0.878 1034 N CB 0.396 38.895 38.487 0.020 0.000 0.972 1034 N HN 0.571 nan 8.380 nan 0.000 0.456 1035 G N 0.838 109.649 108.800 0.019 0.000 2.148 1035 G HA2 -0.310 3.645 3.960 -0.007 0.000 0.254 1035 G HA3 -0.310 3.645 3.960 -0.007 0.000 0.254 1035 G C 0.177 175.078 174.900 0.002 0.000 0.981 1035 G CA -0.101 45.001 45.100 0.004 0.000 0.670 1035 G HN 0.270 nan 8.290 nan 0.000 0.528 1036 M N 0.850 120.462 119.600 0.020 0.000 2.228 1036 M HA 0.551 5.026 4.480 -0.007 0.000 0.351 1036 M C 0.003 176.280 176.300 -0.039 0.000 1.233 1036 M CA 0.202 55.509 55.300 0.010 0.000 1.129 1036 M CB 0.164 32.798 32.600 0.058 0.000 1.604 1036 M HN 0.201 nan 8.290 nan 0.000 0.457 1037 I N 3.812 124.312 120.570 -0.116 0.000 2.433 1037 I HA 0.588 4.753 4.170 -0.007 0.000 0.292 1037 I C 0.438 176.283 176.117 -0.453 0.000 1.001 1037 I CA -0.617 60.531 61.300 -0.253 0.000 1.119 1037 I CB 2.023 39.921 38.000 -0.170 0.000 1.289 1037 I HN 0.792 nan 8.210 nan 0.000 0.438 1038 G N 5.243 113.418 108.800 -1.041 0.000 2.816 1038 G HA2 0.806 4.761 3.960 -0.007 0.000 0.288 1038 G HA3 0.806 4.761 3.960 -0.007 0.000 0.288 1038 G C -1.881 172.415 174.900 -1.007 0.000 1.334 1038 G CA -0.638 43.723 45.100 -1.230 0.000 0.978 1038 G HN 0.516 nan 8.290 nan 0.000 0.493 1039 L N 0.005 120.984 121.223 -0.408 0.000 2.431 1039 L HA 0.775 5.110 4.340 -0.007 0.000 0.266 1039 L C -1.236 175.759 176.870 0.208 0.000 0.978 1039 L CA -0.754 54.061 54.840 -0.043 0.000 0.822 1039 L CB 2.295 44.346 42.059 -0.012 0.000 1.310 1039 L HN 0.359 nan 8.230 nan 0.000 0.409 1040 V N 3.459 123.531 119.914 0.263 0.000 2.495 1040 V HA 0.713 4.828 4.120 -0.007 0.000 0.298 1040 V C -0.057 176.108 176.094 0.118 0.000 1.031 1040 V CA -0.297 62.135 62.300 0.220 0.000 0.871 1040 V CB 1.743 33.687 31.823 0.201 0.000 0.988 1040 V HN 0.867 nan 8.190 nan 0.000 0.432 1041 T N 2.535 117.160 114.554 0.119 0.000 2.865 1041 T HA 0.555 4.901 4.350 -0.007 0.000 0.294 1041 T C -0.462 174.247 174.700 0.015 0.000 1.119 1041 T CA -0.257 61.874 62.100 0.051 0.000 1.007 1041 T CB 2.028 70.921 68.868 0.042 0.000 1.225 1041 T HN 0.635 nan 8.240 nan 0.000 0.515 1042 S N 1.176 116.856 115.700 -0.033 0.000 2.654 1042 S HA 0.797 5.263 4.470 -0.007 0.000 0.283 1042 S C -0.782 173.793 174.600 -0.041 0.000 1.180 1042 S CA -0.652 57.523 58.200 -0.043 0.000 1.021 1042 S CB 0.614 63.776 63.200 -0.064 0.000 1.018 1042 S HN 0.506 nan 8.310 nan 0.000 0.532 1043 L N 1.206 122.443 121.223 0.024 0.000 2.309 1043 L HA 0.564 4.900 4.340 -0.007 0.000 0.261 1043 L C 0.220 177.104 176.870 0.024 0.000 1.021 1043 L CA -0.947 53.901 54.840 0.013 0.000 0.823 1043 L CB 1.988 44.133 42.059 0.144 0.000 1.366 1043 L HN 0.702 nan 8.230 nan 0.000 0.423 1044 S N -0.834 114.850 115.700 -0.028 0.000 2.592 1044 S HA 0.275 4.740 4.470 -0.007 0.000 0.271 1044 S C 1.090 175.550 174.600 -0.234 0.000 1.326 1044 S CA 0.075 58.247 58.200 -0.046 0.000 1.024 1044 S CB 1.357 64.571 63.200 0.023 0.000 0.921 1044 S HN 0.764 nan 8.310 nan 0.000 0.527 1045 E N 1.373 121.278 120.200 -0.492 0.000 2.147 1045 E HA -0.192 4.154 4.350 -0.007 0.000 0.199 1045 E C 2.152 178.563 176.600 -0.316 0.000 1.005 1045 E CA 2.031 57.920 56.400 -0.851 0.000 0.810 1045 E CB -1.213 28.239 29.700 -0.413 0.000 0.736 1045 E HN 0.746 nan 8.360 nan 0.000 0.460 1046 S N -1.830 113.808 115.700 -0.104 0.000 2.414 1046 S HA -0.031 4.435 4.470 -0.007 0.000 0.227 1046 S C 1.835 176.411 174.600 -0.040 0.000 1.022 1046 S CA 1.108 59.285 58.200 -0.038 0.000 0.958 1046 S CB -0.415 62.792 63.200 0.010 0.000 0.797 1046 S HN 0.737 nan 8.310 nan 0.000 0.493 1047 W N 0.668 121.900 121.300 -0.115 0.000 2.409 1047 W HA 0.092 4.748 4.660 -0.008 0.000 0.299 1047 W C 2.121 178.604 176.519 -0.059 0.000 1.203 1047 W CA 0.578 57.871 57.345 -0.088 0.000 1.298 1047 W CB -1.107 28.300 29.460 -0.089 0.000 1.127 1047 W HN 0.421 nan 8.180 nan 0.000 0.528 1048 Y N 2.009 122.321 120.300 0.022 0.000 2.081 1048 Y HA -0.362 4.183 4.550 -0.008 0.000 0.280 1048 Y C 2.213 178.103 175.900 -0.017 0.000 1.163 1048 Y CA 2.387 60.483 58.100 -0.006 0.000 1.135 1048 Y CB -0.798 37.578 38.460 -0.139 0.000 0.970 1048 Y HN -0.158 nan 8.280 nan 0.000 0.498 1049 N N 0.443 119.139 118.700 -0.006 0.000 2.069 1049 N HA -0.201 4.534 4.740 -0.007 0.000 0.191 1049 N C 1.893 177.321 175.510 -0.137 0.000 1.031 1049 N CA 1.578 54.595 53.050 -0.054 0.000 0.852 1049 N CB -0.942 37.539 38.487 -0.010 0.000 1.018 1049 N HN 0.475 nan 8.380 nan 0.000 0.423 1050 L N 0.907 122.032 121.223 -0.164 0.000 2.012 1050 L HA -0.061 4.274 4.340 -0.007 0.000 0.210 1050 L C 1.901 178.655 176.870 -0.195 0.000 1.073 1050 L CA 1.516 56.230 54.840 -0.210 0.000 0.748 1050 L CB -0.500 41.360 42.059 -0.332 0.000 0.891 1050 L HN 0.124 nan 8.230 nan 0.000 0.431 1051 L N -1.506 119.612 121.223 -0.176 0.000 2.270 1051 L HA -0.086 4.250 4.340 -0.007 0.000 0.210 1051 L C 2.351 179.127 176.870 -0.158 0.000 1.104 1051 L CA 0.316 55.080 54.840 -0.127 0.000 0.804 1051 L CB -0.448 41.611 42.059 0.000 0.000 0.937 1051 L HN 0.348 nan 8.230 nan 0.000 0.450 1052 L N 0.511 121.564 121.223 -0.282 0.000 1.976 1052 L HA -0.262 4.074 4.340 -0.007 0.000 0.209 1052 L C 2.170 178.968 176.870 -0.119 0.000 1.071 1052 L CA 2.063 56.750 54.840 -0.255 0.000 0.746 1052 L CB -0.664 41.155 42.059 -0.399 0.000 0.890 1052 L HN 0.211 nan 8.230 nan 0.000 0.432 1053 D N -0.746 119.588 120.400 -0.111 0.000 2.133 1053 D HA -0.316 4.319 4.640 -0.007 0.000 0.192 1053 D C 2.266 178.525 176.300 -0.068 0.000 1.001 1053 D CA 2.116 56.073 54.000 -0.072 0.000 0.844 1053 D CB -0.204 40.549 40.800 -0.078 0.000 0.944 1053 D HN 0.438 nan 8.370 nan 0.000 0.447 1054 M N -0.239 119.301 119.600 -0.100 0.000 2.080 1054 M HA -0.220 4.255 4.480 -0.007 0.000 0.260 1054 M C 2.288 178.554 176.300 -0.057 0.000 1.068 1054 M CA 1.508 56.747 55.300 -0.101 0.000 1.109 1054 M CB -0.096 32.401 32.600 -0.171 0.000 1.342 1054 M HN 0.092 nan 8.290 nan 0.000 0.405 1055 Q N 0.123 119.891 119.800 -0.053 0.000 2.062 1055 Q HA -0.256 4.080 4.340 -0.007 0.000 0.209 1055 Q C 1.572 177.558 176.000 -0.023 0.000 0.996 1055 Q CA 2.476 58.255 55.803 -0.040 0.000 0.859 1055 Q CB -0.453 28.278 28.738 -0.011 0.000 0.920 1055 Q HN 0.697 nan 8.270 nan 0.000 0.415 1056 N N -0.157 118.542 118.700 -0.000 0.000 2.104 1056 N HA -0.171 4.565 4.740 -0.007 0.000 0.190 1056 N C 1.787 177.312 175.510 0.025 0.000 1.024 1056 N CA 1.007 54.072 53.050 0.025 0.000 0.853 1056 N CB -0.066 38.437 38.487 0.027 0.000 1.008 1056 N HN 0.118 nan 8.380 nan 0.000 0.424 1057 R N 0.700 121.208 120.500 0.014 0.000 2.075 1057 R HA 0.014 4.349 4.340 -0.007 0.000 0.232 1057 R C 2.166 178.494 176.300 0.047 0.000 1.126 1057 R CA 0.789 56.906 56.100 0.028 0.000 0.963 1057 R CB -0.372 29.941 30.300 0.022 0.000 0.858 1057 R HN 0.191 nan 8.270 nan 0.000 0.435 1058 L N 0.880 122.132 121.223 0.047 0.000 2.042 1058 L HA -0.237 4.099 4.340 -0.007 0.000 0.210 1058 L C 1.850 178.752 176.870 0.053 0.000 1.076 1058 L CA 1.148 56.029 54.840 0.067 0.000 0.749 1058 L CB -0.491 41.606 42.059 0.063 0.000 0.893 1058 L HN 0.243 nan 8.230 nan 0.000 0.432 1059 N N 0.354 119.074 118.700 0.032 0.000 2.166 1059 N HA -0.185 4.551 4.740 -0.007 0.000 0.186 1059 N C 2.023 177.581 175.510 0.079 0.000 1.019 1059 N CA 1.856 54.945 53.050 0.064 0.000 0.856 1059 N CB -0.292 38.237 38.487 0.070 0.000 0.993 1059 N HN 0.370 nan 8.380 nan 0.000 0.426 1060 K N 0.626 121.063 120.400 0.061 0.000 2.365 1060 K HA 0.100 4.415 4.320 -0.007 0.000 0.199 1060 K C 2.148 178.775 176.600 0.044 0.000 1.045 1060 K CA 0.804 57.122 56.287 0.053 0.000 0.962 1060 K CB -0.542 31.984 32.500 0.044 0.000 0.759 1060 K HN 0.081 nan 8.250 nan 0.000 0.469 1061 V N 0.297 120.239 119.914 0.047 0.000 2.788 1061 V HA 0.250 4.366 4.120 -0.007 0.000 0.241 1061 V C 1.021 177.133 176.094 0.029 0.000 1.083 1061 V CA -0.102 62.219 62.300 0.036 0.000 1.103 1061 V CB 0.221 32.068 31.823 0.041 0.000 0.800 1061 V HN 0.483 nan 8.190 nan 0.000 0.476 1062 I N 1.100 121.697 120.570 0.045 0.000 2.588 1062 I HA 0.087 4.252 4.170 -0.007 0.000 0.283 1062 I C 0.483 176.613 176.117 0.022 0.000 1.119 1062 I CA 0.377 61.699 61.300 0.036 0.000 1.419 1062 I CB 0.472 38.515 38.000 0.071 0.000 1.394 1062 I HN 0.069 nan 8.210 nan 0.000 0.562 1063 K N 5.111 125.499 120.400 -0.021 0.000 2.285 1063 K HA 0.237 4.553 4.320 -0.007 0.000 0.286 1063 K C -0.291 176.243 176.600 -0.109 0.000 1.072 1063 K CA -0.353 55.902 56.287 -0.053 0.000 0.913 1063 K CB 0.882 33.342 32.500 -0.067 0.000 1.067 1063 K HN 0.685 nan 8.250 nan 0.000 0.479 1064 S N 0.919 116.540 115.700 -0.132 0.000 2.562 1064 S HA 0.181 4.646 4.470 -0.007 0.000 0.275 1064 S C 1.586 176.032 174.600 -0.256 0.000 1.281 1064 S CA -0.789 57.230 58.200 -0.302 0.000 1.045 1064 S CB 1.368 64.379 63.200 -0.314 0.000 0.962 1064 S HN 0.502 nan 8.310 nan 0.000 0.503 1065 V N 2.532 122.268 119.914 -0.296 0.000 2.490 1065 V HA 0.066 4.181 4.120 -0.007 0.000 0.250 1065 V C 2.091 178.081 176.094 -0.175 0.000 1.061 1065 V CA 2.235 64.412 62.300 -0.205 0.000 1.064 1065 V CB -1.312 30.401 31.823 -0.183 0.000 0.670 1065 V HN 1.030 nan 8.190 nan 0.000 0.461 1066 G N -1.079 107.603 108.800 -0.197 0.000 3.088 1066 G HA2 0.141 4.097 3.960 -0.007 0.000 0.212 1066 G HA3 0.141 4.097 3.960 -0.007 0.000 0.212 1066 G C 0.876 175.669 174.900 -0.179 0.000 1.173 1066 G CA 0.433 45.445 45.100 -0.148 0.000 0.779 1066 G HN 0.609 nan 8.290 nan 0.000 0.540 1067 K N -0.622 119.640 120.400 -0.230 0.000 3.016 1067 K HA -0.190 4.125 4.320 -0.007 0.000 0.262 1067 K C -0.007 176.491 176.600 -0.171 0.000 1.043 1067 K CA 0.385 56.492 56.287 -0.300 0.000 0.761 1067 K CB -1.592 30.498 32.500 -0.683 0.000 1.230 1067 K HN 0.416 nan 8.250 nan 0.000 0.485 1068 I N 1.834 122.371 120.570 -0.056 0.000 2.575 1068 I HA -0.006 4.160 4.170 -0.007 0.000 0.285 1068 I C 1.098 177.354 176.117 0.233 0.000 1.085 1068 I CA -0.131 61.216 61.300 0.079 0.000 1.403 1068 I CB 0.538 38.611 38.000 0.122 0.000 1.409 1068 I HN -0.028 nan 8.210 nan 0.000 0.557 1069 E N 4.483 124.818 120.200 0.225 0.000 2.316 1069 E HA -0.011 4.335 4.350 -0.007 0.000 0.275 1069 E C 0.558 177.364 176.600 0.343 0.000 1.029 1069 E CA -0.014 56.552 56.400 0.278 0.000 0.871 1069 E CB 0.873 30.701 29.700 0.213 0.000 1.022 1069 E HN 0.534 nan 8.360 nan 0.000 0.418 1070 H N 2.526 121.689 119.070 0.155 0.000 2.387 1070 H HA -0.100 4.452 4.556 -0.007 0.000 0.299 1070 H C 1.600 176.935 175.328 0.011 0.000 1.090 1070 H CA 2.296 58.265 56.048 -0.132 0.000 1.332 1070 H CB 0.480 30.072 29.762 -0.284 0.000 1.386 1070 H HN 0.319 nan 8.280 nan 0.000 0.516 1071 S N -0.462 115.297 115.700 0.099 0.000 2.368 1071 S HA -0.138 4.327 4.470 -0.007 0.000 0.225 1071 S C 1.775 176.388 174.600 0.022 0.000 1.030 1071 S CA 1.098 59.328 58.200 0.050 0.000 0.999 1071 S CB -0.506 62.775 63.200 0.135 0.000 0.844 1071 S HN 0.490 nan 8.310 nan 0.000 0.459 1072 F N 1.645 121.590 119.950 -0.007 0.000 2.075 1072 F HA -0.135 4.387 4.527 -0.008 0.000 0.297 1072 F C 2.138 177.919 175.800 -0.031 0.000 1.113 1072 F CA 1.722 59.719 58.000 -0.006 0.000 1.218 1072 F CB -0.536 38.490 39.000 0.042 0.000 0.984 1072 F HN 0.420 nan 8.300 nan 0.000 0.472 1073 W N 1.395 122.598 121.300 -0.162 0.000 2.338 1073 W HA -0.218 4.437 4.660 -0.008 0.000 0.304 1073 W C 1.518 177.784 176.519 -0.421 0.000 1.212 1073 W CA 1.002 58.184 57.345 -0.271 0.000 1.264 1073 W CB -0.235 29.127 29.460 -0.165 0.000 1.142 1073 W HN -0.105 nan 8.180 nan 0.000 0.512 1074 R N 1.034 121.113 120.500 -0.703 0.000 2.299 1074 R HA 0.088 4.424 4.340 -0.007 0.000 0.197 1074 R C 0.675 176.637 176.300 -0.565 0.000 0.971 1074 R CA 0.202 55.749 56.100 -0.922 0.000 1.030 1074 R CB -0.840 28.908 30.300 -0.921 0.000 0.932 1074 R HN -0.081 nan 8.270 nan 0.000 0.477 1075 S N 1.747 117.195 115.700 -0.420 0.000 2.525 1075 S HA -0.006 4.460 4.470 -0.007 0.000 0.285 1075 S C -0.101 174.384 174.600 -0.191 0.000 1.283 1075 S CA -0.354 57.696 58.200 -0.250 0.000 1.072 1075 S CB -0.038 62.987 63.200 -0.293 0.000 0.867 1075 S HN 0.207 nan 8.310 nan 0.000 0.492 1076 F N 4.533 124.400 119.950 -0.137 0.000 2.612 1076 F HA 0.076 4.598 4.527 -0.007 0.000 0.389 1076 F C 0.392 176.185 175.800 -0.012 0.000 1.055 1076 F CA 0.747 58.718 58.000 -0.049 0.000 1.232 1076 F CB 0.227 39.219 39.000 -0.013 0.000 1.044 1076 F HN 0.680 nan 8.300 nan 0.000 0.560 1077 H N 3.941 122.710 119.070 -0.502 0.000 3.149 1077 H HA 0.404 4.956 4.556 -0.008 0.000 0.334 1077 H C -0.898 174.246 175.328 -0.307 0.000 1.000 1077 H CA -0.041 55.821 56.048 -0.310 0.000 1.415 1077 H CB 1.087 30.616 29.762 -0.387 0.000 1.819 1077 H HN 0.695 nan 8.280 nan 0.000 0.486 1078 T N 1.098 115.286 114.554 -0.610 0.000 2.669 1078 T HA 0.534 4.880 4.350 -0.007 0.000 0.283 1078 T C -0.122 174.332 174.700 -0.410 0.000 1.019 1078 T CA -1.099 60.714 62.100 -0.478 0.000 1.039 1078 T CB 1.800 70.568 68.868 -0.167 0.000 1.374 1078 T HN 0.566 nan 8.240 nan 0.000 0.523 1083 E N 2.504 122.791 120.200 0.145 0.000 2.478 1083 E HA 0.469 4.814 4.350 -0.007 0.000 0.293 1083 E C -3.085 173.569 176.600 0.090 0.000 1.011 1083 E CA -1.534 54.929 56.400 0.105 0.000 0.834 1083 E CB 1.735 31.485 29.700 0.083 0.000 1.226 1083 E HN 0.246 nan 8.360 nan 0.000 0.419 1084 P HA 0.126 nan 4.420 nan 0.000 0.267 1084 P C -1.020 176.338 177.300 0.097 0.000 1.200 1084 P CA -0.029 63.111 63.100 0.068 0.000 0.772 1084 P CB 0.703 32.451 31.700 0.079 0.000 0.855 1085 A N 2.236 125.113 122.820 0.095 0.000 2.498 1085 A HA 0.425 4.741 4.320 -0.007 0.000 0.239 1085 A C 0.390 178.119 177.584 0.241 0.000 1.068 1085 A CA 0.777 52.923 52.037 0.181 0.000 0.766 1085 A CB -0.385 18.721 19.000 0.176 0.000 1.003 1085 A HN 0.495 nan 8.150 nan 0.000 0.497 1086 T N 0.315 115.049 114.554 0.300 0.000 2.933 1086 T HA 0.538 4.884 4.350 -0.007 0.000 0.305 1086 T C 0.604 175.493 174.700 0.314 0.000 1.092 1086 T CA 0.839 63.104 62.100 0.276 0.000 1.008 1086 T CB 0.932 69.893 68.868 0.155 0.000 1.102 1086 T HN 2.402 nan 8.240 nan 0.000 0.469 1087 G N 2.525 111.471 108.800 0.244 0.000 2.225 1087 G HA2 -0.216 3.740 3.960 -0.007 0.000 0.267 1087 G HA3 -0.216 3.740 3.960 -0.007 0.000 0.267 1087 G C -0.173 174.740 174.900 0.022 0.000 1.024 1087 G CA 0.387 45.451 45.100 -0.060 0.000 0.784 1087 G HN 0.614 nan 8.290 nan 0.000 0.507 1088 F N -0.966 119.183 119.950 0.332 0.000 2.557 1088 F HA 0.618 5.141 4.527 -0.007 0.000 0.316 1088 F C 0.277 176.188 175.800 0.184 0.000 1.141 1088 F CA -1.025 57.062 58.000 0.145 0.000 0.922 1088 F CB 1.592 40.535 39.000 -0.094 0.000 1.194 1088 F HN -0.030 nan 8.300 nan 0.000 0.443 1089 I N 2.919 123.639 120.570 0.249 0.000 2.353 1089 I HA 0.173 4.338 4.170 -0.007 0.000 0.293 1089 I C -0.193 175.886 176.117 -0.064 0.000 0.992 1089 I CA -0.413 60.964 61.300 0.127 0.000 1.268 1089 I CB 0.894 39.007 38.000 0.188 0.000 1.387 1089 I HN 0.412 nan 8.210 nan 0.000 0.478 1090 D N 5.547 126.016 120.400 0.116 0.000 2.416 1090 D HA 0.092 4.727 4.640 -0.007 0.000 0.240 1090 D C 1.253 177.511 176.300 -0.070 0.000 1.250 1090 D CA 0.118 54.208 54.000 0.151 0.000 0.967 1090 D CB 1.140 42.210 40.800 0.450 0.000 1.059 1090 D HN 0.722 nan 8.370 nan 0.000 0.512 1091 G N 3.444 111.997 108.800 -0.411 0.000 2.442 1091 G HA2 -0.285 3.671 3.960 -0.007 0.000 0.219 1091 G HA3 -0.285 3.671 3.960 -0.007 0.000 0.219 1091 G C 1.268 176.147 174.900 -0.035 0.000 1.141 1091 G CA 0.333 45.121 45.100 -0.521 0.000 0.763 1091 G HN 0.413 nan 8.290 nan 0.000 0.554 1092 D N 0.111 120.530 120.400 0.033 0.000 2.104 1092 D HA -0.118 4.518 4.640 -0.007 0.000 0.194 1092 D C 2.378 178.772 176.300 0.155 0.000 0.994 1092 D CA 0.660 54.736 54.000 0.127 0.000 0.830 1092 D CB -0.478 40.429 40.800 0.177 0.000 0.959 1092 D HN 0.218 nan 8.370 nan 0.000 0.452 1093 L N 0.893 122.208 121.223 0.153 0.000 1.990 1093 L HA -0.185 4.150 4.340 -0.007 0.000 0.213 1093 L C 2.063 178.997 176.870 0.107 0.000 1.072 1093 L CA 1.501 56.401 54.840 0.100 0.000 0.755 1093 L CB -0.620 41.403 42.059 -0.060 0.000 0.889 1093 L HN 0.009 nan 8.230 nan 0.000 0.432 1094 I N -0.133 120.501 120.570 0.106 0.000 2.127 1094 I HA -0.306 3.859 4.170 -0.007 0.000 0.241 1094 I C 2.533 178.766 176.117 0.193 0.000 1.075 1094 I CA 1.633 63.015 61.300 0.137 0.000 1.334 1094 I CB -1.309 36.808 38.000 0.195 0.000 1.040 1094 I HN 0.455 nan 8.210 nan 0.000 0.405 1095 E N 0.660 120.984 120.200 0.207 0.000 2.204 1095 E HA -0.176 4.169 4.350 -0.007 0.000 0.195 1095 E C 2.141 178.861 176.600 0.200 0.000 0.990 1095 E CA 1.471 58.000 56.400 0.214 0.000 0.821 1095 E CB -0.081 29.748 29.700 0.216 0.000 0.750 1095 E HN 0.551 nan 8.360 nan 0.000 0.477 1096 S N 0.481 116.291 115.700 0.184 0.000 2.474 1096 S HA -0.155 4.310 4.470 -0.007 0.000 0.235 1096 S C 1.731 176.425 174.600 0.157 0.000 0.997 1096 S CA 0.263 58.553 58.200 0.150 0.000 0.949 1096 S CB -0.466 62.816 63.200 0.138 0.000 0.766 1096 S HN 0.362 nan 8.310 nan 0.000 0.517 1097 F N 2.284 122.261 119.950 0.045 0.000 2.250 1097 F HA 0.083 4.606 4.527 -0.008 0.000 0.301 1097 F C 1.584 177.394 175.800 0.016 0.000 1.077 1097 F CA 1.170 59.185 58.000 0.026 0.000 1.348 1097 F CB -0.237 38.777 39.000 0.023 0.000 1.040 1097 F HN 0.190 nan 8.300 nan 0.000 0.509 1098 L N -0.394 120.868 121.223 0.065 0.000 2.478 1098 L HA -0.069 4.266 4.340 -0.007 0.000 0.223 1098 L C 1.350 178.186 176.870 -0.056 0.000 1.140 1098 L CA 0.591 55.413 54.840 -0.030 0.000 0.842 1098 L CB -0.505 41.603 42.059 0.082 0.000 0.953 1098 L HN 0.080 nan 8.230 nan 0.000 0.452 1099 D N 0.236 120.618 120.400 -0.030 0.000 2.392 1099 D HA 0.148 4.784 4.640 -0.007 0.000 0.206 1099 D C 0.994 177.262 176.300 -0.053 0.000 1.046 1099 D CA 0.162 54.156 54.000 -0.010 0.000 0.865 1099 D CB 0.624 41.441 40.800 0.028 0.000 0.969 1099 D HN 0.331 nan 8.370 nan 0.000 0.509 1100 I N 0.109 120.615 120.570 -0.106 0.000 2.945 1100 I HA 0.168 4.334 4.170 -0.007 0.000 0.292 1100 I C 0.900 176.932 176.117 -0.142 0.000 1.093 1100 I CA -0.858 60.376 61.300 -0.110 0.000 1.336 1100 I CB 0.779 38.712 38.000 -0.111 0.000 1.435 1100 I HN -0.230 nan 8.210 nan 0.000 0.593 1101 S N 2.945 118.582 115.700 -0.105 0.000 2.576 1101 S HA 0.256 4.722 4.470 -0.007 0.000 0.272 1101 S C 1.535 176.060 174.600 -0.124 0.000 1.352 1101 S CA 0.052 58.193 58.200 -0.098 0.000 1.021 1101 S CB 1.218 64.379 63.200 -0.065 0.000 0.887 1101 S HN 1.016 nan 8.310 nan 0.000 0.542 1102 R N 1.826 122.262 120.500 -0.107 0.000 2.096 1102 R HA -0.018 4.318 4.340 -0.007 0.000 0.240 1102 R C -0.102 176.156 176.300 -0.069 0.000 1.139 1102 R CA 2.029 58.070 56.100 -0.098 0.000 0.952 1102 R CB -3.059 27.205 30.300 -0.061 0.000 0.854 1102 R HN 0.860 nan 8.270 nan 0.000 0.436 1103 P HA -0.120 nan 4.420 nan 0.000 0.217 1103 P C 0.555 177.837 177.300 -0.030 0.000 1.151 1103 P CA 1.071 64.154 63.100 -0.029 0.000 0.828 1103 P CB -0.069 31.620 31.700 -0.019 0.000 0.788 1104 K N -0.615 119.758 120.400 -0.045 0.000 2.057 1104 K HA -0.093 4.222 4.320 -0.007 0.000 0.207 1104 K C 2.355 178.930 176.600 -0.042 0.000 1.049 1104 K CA 1.324 57.589 56.287 -0.038 0.000 0.931 1104 K CB -0.538 31.934 32.500 -0.046 0.000 0.714 1104 K HN 0.122 nan 8.250 nan 0.000 0.440 1105 M N 1.255 120.783 119.600 -0.119 0.000 2.082 1105 M HA -0.315 4.160 4.480 -0.007 0.000 0.258 1105 M C 2.750 179.054 176.300 0.006 0.000 1.069 1105 M CA 2.544 57.739 55.300 -0.175 0.000 1.102 1105 M CB -0.309 32.092 32.600 -0.332 0.000 1.336 1105 M HN 0.274 nan 8.290 nan 0.000 0.404 1106 Q N -0.121 119.676 119.800 -0.005 0.000 2.124 1106 Q HA -0.258 4.078 4.340 -0.007 0.000 0.202 1106 Q C 1.680 177.702 176.000 0.037 0.000 0.977 1106 Q CA 2.026 57.844 55.803 0.026 0.000 0.850 1106 Q CB -1.096 27.648 28.738 0.009 0.000 0.901 1106 Q HN 0.780 nan 8.270 nan 0.000 0.429 1107 E N -0.447 119.770 120.200 0.028 0.000 2.077 1107 E HA -0.120 4.226 4.350 -0.007 0.000 0.193 1107 E C 2.024 178.656 176.600 0.053 0.000 0.989 1107 E CA 1.240 57.659 56.400 0.031 0.000 0.800 1107 E CB -0.021 29.691 29.700 0.020 0.000 0.746 1107 E HN 0.467 nan 8.360 nan 0.000 0.452 1108 V N 0.252 120.219 119.914 0.088 0.000 2.407 1108 V HA -0.216 3.900 4.120 -0.007 0.000 0.248 1108 V C 2.239 178.394 176.094 0.102 0.000 1.055 1108 V CA 1.246 63.622 62.300 0.127 0.000 1.049 1108 V CB -0.090 31.891 31.823 0.263 0.000 0.662 1108 V HN 0.203 nan 8.190 nan 0.000 0.455 1109 V N -0.204 119.778 119.914 0.114 0.000 2.667 1109 V HA 0.022 4.138 4.120 -0.007 0.000 0.252 1109 V C 1.597 177.708 176.094 0.028 0.000 1.065 1109 V CA 0.820 63.168 62.300 0.080 0.000 1.083 1109 V CB -0.640 31.249 31.823 0.110 0.000 0.692 1109 V HN 0.525 nan 8.190 nan 0.000 0.468 1126 A N 0.527 123.399 122.820 0.087 0.000 1.902 1126 A HA 0.302 4.617 4.320 -0.007 0.000 0.217 1126 A C 2.245 179.924 177.584 0.158 0.000 1.181 1126 A CA 2.921 55.052 52.037 0.156 0.000 0.623 1126 A CB -1.361 17.690 19.000 0.085 0.000 0.818 1126 A HN 1.472 nan 8.150 nan 0.000 0.443 1127 D N -1.222 119.229 120.400 0.084 0.000 2.269 1127 D HA 0.113 4.748 4.640 -0.007 0.000 0.208 1127 D C 1.619 177.945 176.300 0.044 0.000 0.963 1127 D CA 1.881 55.917 54.000 0.060 0.000 0.864 1127 D CB -1.128 39.701 40.800 0.048 0.000 0.936 1127 D HN 0.699 nan 8.370 nan 0.000 0.505 1128 D N -0.051 120.368 120.400 0.031 0.000 2.194 1128 D HA 0.162 4.798 4.640 -0.007 0.000 0.204 1128 D C 2.207 178.488 176.300 -0.032 0.000 0.964 1128 D CA 0.750 54.746 54.000 -0.007 0.000 0.846 1128 D CB -0.372 40.412 40.800 -0.028 0.000 0.962 1128 D HN 0.471 nan 8.370 nan 0.000 0.490 1129 L N -0.260 120.951 121.223 -0.021 0.000 2.240 1129 L HA 0.072 4.408 4.340 -0.007 0.000 0.211 1129 L C 2.736 179.604 176.870 -0.003 0.000 1.106 1129 L CA 0.404 55.168 54.840 -0.127 0.000 0.793 1129 L CB -0.260 41.583 42.059 -0.360 0.000 0.927 1129 L HN 0.262 nan 8.230 nan 0.000 0.446 1130 I N 0.949 121.631 120.570 0.186 0.000 2.208 1130 I HA -0.337 3.829 4.170 -0.007 0.000 0.245 1130 I C 3.152 179.303 176.117 0.057 0.000 1.097 1130 I CA 1.862 63.269 61.300 0.178 0.000 1.363 1130 I CB -0.615 37.444 38.000 0.098 0.000 1.051 1130 I HN 0.235 nan 8.210 nan 0.000 0.413 1131 K N 0.405 120.816 120.400 0.019 0.000 2.148 1131 K HA -0.072 4.244 4.320 -0.007 0.000 0.204 1131 K C 1.984 178.597 176.600 0.022 0.000 1.050 1131 K CA 1.719 58.007 56.287 0.003 0.000 0.942 1131 K CB -1.347 31.149 32.500 -0.006 0.000 0.724 1131 K HN 0.225 nan 8.250 nan 0.000 0.446 1132 V N 0.572 120.486 119.914 0.001 0.000 2.379 1132 V HA -0.181 3.935 4.120 -0.007 0.000 0.245 1132 V C 2.442 178.582 176.094 0.076 0.000 1.044 1132 V CA 1.608 63.925 62.300 0.028 0.000 1.036 1132 V CB 0.216 31.955 31.823 -0.140 0.000 0.664 1132 V HN 0.395 nan 8.190 nan 0.000 0.453 1133 V N -0.525 119.411 119.914 0.037 0.000 2.488 1133 V HA -0.166 3.949 4.120 -0.007 0.000 0.246 1133 V C 2.406 178.546 176.094 0.077 0.000 1.046 1133 V CA 1.507 63.854 62.300 0.078 0.000 1.053 1133 V CB -0.544 31.346 31.823 0.112 0.000 0.679 1133 V HN 0.563 nan 8.190 nan 0.000 0.458 1134 E N 0.482 120.709 120.200 0.045 0.000 2.049 1134 E HA -0.305 4.041 4.350 -0.007 0.000 0.198 1134 E C 2.477 179.072 176.600 -0.009 0.000 1.007 1134 E CA 1.998 58.397 56.400 -0.002 0.000 0.809 1134 E CB -0.187 29.491 29.700 -0.037 0.000 0.749 1134 E HN 0.785 nan 8.360 nan 0.000 0.450 1135 E N 1.228 121.434 120.200 0.011 0.000 2.097 1135 E HA -0.205 4.140 4.350 -0.007 0.000 0.196 1135 E C 2.012 178.597 176.600 -0.025 0.000 1.000 1135 E CA 1.574 57.972 56.400 -0.002 0.000 0.804 1135 E CB -1.012 28.714 29.700 0.044 0.000 0.740 1135 E HN 0.221 nan 8.360 nan 0.000 0.454 1136 L N 0.984 122.213 121.223 0.010 0.000 2.141 1136 L HA -0.075 4.260 4.340 -0.007 0.000 0.209 1136 L C 3.080 179.983 176.870 0.054 0.000 1.094 1136 L CA 1.788 56.617 54.840 -0.019 0.000 0.763 1136 L CB -0.414 41.644 42.059 -0.003 0.000 0.908 1136 L HN 0.585 nan 8.230 nan 0.000 0.437 1137 T N -2.796 111.790 114.554 0.053 0.000 3.007 1137 T HA -0.128 4.218 4.350 -0.007 0.000 0.270 1137 T C 2.112 176.719 174.700 -0.155 0.000 1.107 1137 T CA 1.076 63.175 62.100 -0.001 0.000 1.118 1137 T CB -0.442 68.414 68.868 -0.020 0.000 0.889 1137 T HN 0.390 nan 8.240 nan 0.000 0.506 1138 R N 1.729 122.174 120.500 -0.091 0.000 2.307 1138 R HA 0.461 4.797 4.340 -0.007 0.000 0.199 1138 R C 2.324 178.577 176.300 -0.079 0.000 1.000 1138 R CA 0.939 56.976 56.100 -0.104 0.000 1.023 1138 R CB -1.248 29.005 30.300 -0.079 0.000 0.908 1138 R HN 0.950 nan 8.270 nan 0.000 0.473 1139 I N -1.650 118.903 120.570 -0.028 0.000 3.444 1139 I HA 0.149 4.314 4.170 -0.007 0.000 0.287 1139 I C 0.664 176.846 176.117 0.108 0.000 1.302 1139 I CA 0.257 61.575 61.300 0.030 0.000 1.368 1139 I CB -0.391 37.632 38.000 0.039 0.000 1.048 1139 I HN 0.557 nan 8.210 nan 0.000 0.487 1140 H N 0.000 119.081 119.070 0.018 0.000 2.539 1140 H HA 0.000 4.552 4.556 -0.007 0.000 0.296 1140 H CA 0.000 56.059 56.048 0.018 0.000 1.023 1140 H CB 0.000 29.778 29.762 0.026 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496