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 2uv8_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKPEVEQELA HILLTELLAY QFASPVRWIE TQDVFLKDFN TERVVEIGPS DATA SEQUENCE PTLAGMAQRT LKNKYESYDA ALSLHREILC YSKDAKEIYY TPDPXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXI ADEPVKASLL DATA SEQUENCE LHVLVAHKLK KSLDSIPMSK TIKDLVGGKX TVQNEILGDL GKEFGTTPEK DATA SEQUENCE PEETPLEELA ETFQDTFSGA LGKQSSSLLS RLISSKMPGG FTITVARKYL DATA SEQUENCE QTRWGLPSGR QDGVLLVALS NEPAARLGSE ADAKAFLDSM AQKYASIVGV DATA SEQUENCE DLXXXXXXXX XXXXXXXXXX XXXXXXXLEE ITKDHKVLAR QQLQVLARYL DATA SEQUENCE KMDLDNGERK FLKEKDTVAE LQAQLDYLNA ELGEFFVNGV ATSFSRKKAR DATA SEQUENCE TFDSSWNWAK QSLLSLYFEI IHGVLKNVDR EVVSEAINIM NRSNDALIKF DATA SEQUENCE MEYHISNTDE TKGENYQLVK TLGEQLIENC KQVLDVDPVY KDVAKPTGPK DATA SEQUENCE TAIDKNGNIT YSEEPREKVR KLSQYVQEMA LGGPITKESQ XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXMD DATA SEQUENCE VEDALDKDST KEVASLPNKS TISKTVSSTI PRETIPFLHL RKKTPAGDWK DATA SEQUENCE YDRQLSSLFL DGLEKAAFNG VTFKDKYVLI TGAGKGSIGA EVLQGLLQGG DATA SEQUENCE AKVVVTTSRF SKQVTDYYQS IYAKYGAKGS TLIVVPFNQG SKQDVEALIE DATA SEQUENCE FIYDTEKNGG LGWDLDAIIP FAAIPEQGIE LEHIDSKSEF AHRIMLTNIL DATA SEQUENCE RMMGCVKKQK SARGIETRPA QVILPMSPNH GTFGGDGMYS ESKLSLETLF DATA SEQUENCE NRWHSESWAN QLTVCGAIIG WTRGTXXXXX NNIIAEGIEK MGVRTFSQKE DATA SEQUENCE MAFNLLGLLT PEVVELCQKS PVMADLNGGL QFVPELKEFT AKLRKELVET DATA SEQUENCE SEVRKAVSIE TALEHKVVNG NSADAAYAQV EIQPRANIQL DFPELKPYKQ DATA SEQUENCE VKQIAPAELE GLLDLERVIV VTGFAEVGPW GSARTRWEME AFGEFSLEGC DATA SEQUENCE VEMAWIMGFI SYHNGNLKGR PYTGWVDSKT KEPVDDKDVK AKYETSILEH DATA SEQUENCE SGIRLIEPEL FNGYNPEKKE MIQEVIVEED LEPFEASKET AEQFKHQHGD DATA SEQUENCE KVDIFEIPET GEYSVKLLKG ATLYIPKALR FDRLVAGQIP TGWNAKTYGI DATA SEQUENCE SDDIISQVDP ITLFVLVSVV EAFIASGITD PYEMYKYVHV SEVGNCSGSG DATA SEQUENCE MGGVSALRGM FKDRFKDEPV QNDILQESFI NTMSAWVNML LISSSGPIKT DATA SEQUENCE PVGACATSVE SVDIGVETIL SGKARICIVG GYDDFQEEGS FEFGNMKATS DATA SEQUENCE NTLEEFEHGR TPAEMSRPAT TTRNGFMEAQ GAGIQIIMQA DLALKMGVPI DATA SEQUENCE YGIVAMAATA TDKIGRSVPA PGKGILTTAR EHHSSVKYAS PNLNMKYRKR DATA SEQUENCE QLVTREAQIK DWVENELEAL KLEAEEIPSE DQNEFLLERT REIHNEAESQ DATA SEQUENCE LRAAQQQWGN DFYKRDPRIA PLRGALATYG LTIDDLGVAS FHGTSTKAND DATA SEQUENCE KNESATINEM MKHLGRSEGN PVIGVFQKFL TGHPKGAAGA WMMNGALQIL DATA SEQUENCE NSGIIPGNRN ADNVDKILEQ FEYVLYPSKT LKTDGVRAVS ITSFGFGQKG DATA SEQUENCE GQAIVVHPDY LYGAITEDRY NEYVAKVSAR EKSAYKFFHN GMIYNKLFVS DATA SEQUENCE KEHAPYTDEL EEDVYLDPLA RVSKDKKSGS LTFNSKNIQS KDSYINA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.307 55.300 0.011 0.000 0.988 1 M CB 0.000 32.608 32.600 0.014 0.000 1.302 2 K N 4.324 124.730 120.400 0.010 0.000 2.379 2 K HA 0.269 4.698 4.320 0.183 0.000 0.284 2 K C -2.140 174.466 176.600 0.010 0.000 1.044 2 K CA -1.117 55.175 56.287 0.009 0.000 0.974 2 K CB 1.053 33.557 32.500 0.007 0.000 0.962 2 K HN 0.232 nan 8.250 nan 0.000 0.474 3 P HA -0.227 nan 4.420 nan 0.000 0.217 3 P C 0.181 177.488 177.300 0.012 0.000 1.162 3 P CA 1.633 64.740 63.100 0.011 0.000 0.901 3 P CB 0.231 31.936 31.700 0.010 0.000 0.793 4 E N -0.973 119.232 120.200 0.008 0.000 2.077 4 E HA -0.114 4.345 4.350 0.183 0.000 0.193 4 E C 2.058 178.662 176.600 0.006 0.000 0.989 4 E CA 0.821 57.225 56.400 0.005 0.000 0.800 4 E CB -1.246 28.454 29.700 0.001 0.000 0.746 4 E HN 0.013 nan 8.360 nan 0.000 0.452 5 V N 1.023 120.941 119.914 0.007 0.000 2.343 5 V HA -0.292 3.938 4.120 0.183 0.000 0.247 5 V C 2.346 178.450 176.094 0.016 0.000 1.051 5 V CA 2.073 64.379 62.300 0.009 0.000 1.036 5 V CB -0.358 31.470 31.823 0.009 0.000 0.654 5 V HN 0.310 nan 8.190 nan 0.000 0.451 6 E N -0.572 119.639 120.200 0.019 0.000 2.038 6 E HA -0.292 4.168 4.350 0.183 0.000 0.195 6 E C 2.303 178.925 176.600 0.036 0.000 1.000 6 E CA 1.809 58.225 56.400 0.026 0.000 0.803 6 E CB -0.130 29.584 29.700 0.023 0.000 0.750 6 E HN 0.627 nan 8.360 nan 0.000 0.448 7 Q N 0.306 120.127 119.800 0.034 0.000 1.978 7 Q HA -0.303 4.147 4.340 0.183 0.000 0.211 7 Q C 2.251 178.292 176.000 0.068 0.000 1.013 7 Q CA 2.215 58.048 55.803 0.049 0.000 0.869 7 Q CB -0.337 28.422 28.738 0.036 0.000 0.953 7 Q HN 0.364 nan 8.270 nan 0.000 0.415 8 E N 0.095 120.313 120.200 0.030 0.000 2.108 8 E HA -0.256 4.204 4.350 0.183 0.000 0.203 8 E C 2.052 178.683 176.600 0.050 0.000 1.022 8 E CA 1.458 57.859 56.400 0.001 0.000 0.823 8 E CB -0.141 29.546 29.700 -0.022 0.000 0.744 8 E HN 0.289 nan 8.360 nan 0.000 0.456 9 L N -0.063 121.192 121.223 0.054 0.000 2.007 9 L HA -0.129 4.321 4.340 0.183 0.000 0.205 9 L C 2.693 179.615 176.870 0.088 0.000 1.073 9 L CA 1.103 55.981 54.840 0.063 0.000 0.744 9 L CB -0.517 41.569 42.059 0.044 0.000 0.898 9 L HN 0.208 nan 8.230 nan 0.000 0.435 10 A N -0.631 122.236 122.820 0.078 0.000 1.948 10 A HA -0.337 4.093 4.320 0.183 0.000 0.220 10 A C 2.063 179.699 177.584 0.086 0.000 1.177 10 A CA 2.219 54.298 52.037 0.069 0.000 0.636 10 A CB -1.077 17.956 19.000 0.054 0.000 0.815 10 A HN 0.647 nan 8.150 nan 0.000 0.449 11 H N 0.509 119.586 119.070 0.012 0.000 2.253 11 H HA -0.153 4.513 4.556 0.183 0.000 0.296 11 H C 1.943 177.277 175.328 0.010 0.000 1.074 11 H CA 2.430 58.483 56.048 0.008 0.000 1.263 11 H CB -0.344 29.421 29.762 0.005 0.000 1.363 11 H HN 0.534 nan 8.280 nan 0.000 0.489 12 I N -0.675 120.100 120.570 0.341 0.000 2.361 12 I HA -0.141 4.139 4.170 0.183 0.000 0.251 12 I C 2.241 178.410 176.117 0.086 0.000 1.133 12 I CA 1.355 62.803 61.300 0.247 0.000 1.413 12 I CB -0.357 37.761 38.000 0.198 0.000 1.073 12 I HN 0.334 nan 8.210 nan 0.000 0.424 13 L N 1.188 122.454 121.223 0.071 0.000 2.042 13 L HA -0.177 4.273 4.340 0.183 0.000 0.210 13 L C 2.282 179.164 176.870 0.020 0.000 1.076 13 L CA 1.865 56.736 54.840 0.051 0.000 0.749 13 L CB -0.987 41.102 42.059 0.050 0.000 0.893 13 L HN 0.454 nan 8.230 nan 0.000 0.432 14 L N -0.814 120.395 121.223 -0.024 0.000 2.017 14 L HA -0.207 4.243 4.340 0.183 0.000 0.208 14 L C 2.461 179.281 176.870 -0.084 0.000 1.073 14 L CA 2.540 57.344 54.840 -0.061 0.000 0.745 14 L CB -1.035 40.960 42.059 -0.105 0.000 0.894 14 L HN 0.611 nan 8.230 nan 0.000 0.432 15 T N -1.375 113.099 114.554 -0.134 0.000 2.867 15 T HA -0.144 4.316 4.350 0.183 0.000 0.268 15 T C 1.714 176.379 174.700 -0.059 0.000 1.057 15 T CA 1.019 63.046 62.100 -0.121 0.000 1.136 15 T CB -0.068 68.714 68.868 -0.144 0.000 0.874 15 T HN 0.365 nan 8.240 nan 0.000 0.466 16 E N 1.177 121.372 120.200 -0.008 0.000 2.031 16 E HA -0.047 4.413 4.350 0.183 0.000 0.193 16 E C 2.346 179.003 176.600 0.094 0.000 0.994 16 E CA 1.117 57.543 56.400 0.043 0.000 0.800 16 E CB -0.618 29.160 29.700 0.129 0.000 0.752 16 E HN 0.528 nan 8.360 nan 0.000 0.447 17 L N 0.583 121.857 121.223 0.085 0.000 2.081 17 L HA -0.220 4.229 4.340 0.183 0.000 0.212 17 L C 2.598 179.507 176.870 0.065 0.000 1.080 17 L CA 0.982 55.878 54.840 0.093 0.000 0.754 17 L CB -0.446 41.647 42.059 0.057 0.000 0.893 17 L HN 0.094 nan 8.230 nan 0.000 0.433 18 L N -1.146 120.080 121.223 0.004 0.000 2.131 18 L HA -0.079 4.371 4.340 0.183 0.000 0.206 18 L C 2.837 179.673 176.870 -0.057 0.000 1.087 18 L CA 0.833 55.649 54.840 -0.040 0.000 0.767 18 L CB -0.654 41.359 42.059 -0.076 0.000 0.917 18 L HN 0.200 nan 8.230 nan 0.000 0.441 19 A N -0.318 122.461 122.820 -0.068 0.000 1.845 19 A HA -0.234 4.196 4.320 0.183 0.000 0.215 19 A C 2.035 179.622 177.584 0.004 0.000 1.195 19 A CA 1.522 53.497 52.037 -0.103 0.000 0.616 19 A CB -1.014 17.833 19.000 -0.255 0.000 0.832 19 A HN 0.408 nan 8.150 nan 0.000 0.443 20 Y N -0.400 119.953 120.300 0.088 0.000 2.516 20 Y HA -0.121 4.539 4.550 0.183 0.000 0.291 20 Y C 2.610 178.579 175.900 0.115 0.000 1.131 20 Y CA 0.766 58.929 58.100 0.105 0.000 1.281 20 Y CB 0.063 38.564 38.460 0.068 0.000 1.013 20 Y HN 0.450 nan 8.280 nan 0.000 0.554 21 Q N 0.147 120.081 119.800 0.223 0.000 2.248 21 Q HA -0.244 4.206 4.340 0.183 0.000 0.208 21 Q C 1.833 177.953 176.000 0.200 0.000 0.984 21 Q CA 1.375 57.269 55.803 0.152 0.000 0.875 21 Q CB -0.344 28.430 28.738 0.060 0.000 0.910 21 Q HN 0.474 nan 8.270 nan 0.000 0.433 22 F N 0.302 120.292 119.950 0.066 0.000 2.115 22 F HA -0.250 4.386 4.527 0.183 0.000 0.300 22 F C 2.165 177.998 175.800 0.055 0.000 1.092 22 F CA 1.506 59.534 58.000 0.046 0.000 1.245 22 F CB -0.717 38.305 39.000 0.036 0.000 0.995 22 F HN 0.207 nan 8.300 nan 0.000 0.481 23 A N -1.430 121.563 122.820 0.288 0.000 1.909 23 A HA 0.105 4.534 4.320 0.183 0.000 0.210 23 A C 1.397 179.050 177.584 0.114 0.000 1.273 23 A CA 0.598 52.723 52.037 0.145 0.000 0.654 23 A CB -1.158 17.917 19.000 0.125 0.000 0.945 23 A HN 0.196 nan 8.150 nan 0.000 0.471 24 S N 0.990 116.759 115.700 0.116 0.000 2.550 24 S HA 0.260 4.840 4.470 0.183 0.000 0.285 24 S C -2.277 172.373 174.600 0.084 0.000 1.326 24 S CA -0.790 57.458 58.200 0.079 0.000 1.037 24 S CB 0.075 63.317 63.200 0.070 0.000 0.838 24 S HN 0.251 nan 8.310 nan 0.000 0.519 25 P HA 0.276 nan 4.420 nan 0.000 0.276 25 P C -1.242 176.108 177.300 0.084 0.000 1.261 25 P CA -0.698 62.444 63.100 0.069 0.000 0.800 25 P CB 0.347 32.081 31.700 0.056 0.000 1.066 26 V N 2.067 122.034 119.914 0.089 0.000 2.353 26 V HA 0.203 4.433 4.120 0.183 0.000 0.264 26 V C 1.018 177.212 176.094 0.167 0.000 1.049 26 V CA -0.311 62.062 62.300 0.121 0.000 0.896 26 V CB -0.330 31.545 31.823 0.085 0.000 1.025 26 V HN 0.392 nan 8.190 nan 0.000 0.475 27 R N 4.502 125.107 120.500 0.175 0.000 4.556 27 R HA 0.046 4.496 4.340 0.183 0.000 0.197 27 R C 0.949 177.388 176.300 0.231 0.000 1.791 27 R CA -0.210 55.987 56.100 0.161 0.000 1.526 27 R CB 0.102 30.463 30.300 0.102 0.000 1.410 27 R HN 0.880 nan 8.270 nan 0.000 0.826 28 W N 1.626 122.952 121.300 0.042 0.000 2.476 28 W HA -0.069 4.701 4.660 0.183 0.000 0.281 28 W C 1.169 177.713 176.519 0.042 0.000 1.230 28 W CA 0.656 58.035 57.345 0.057 0.000 1.287 28 W CB 0.181 29.675 29.460 0.057 0.000 1.108 28 W HN 0.308 nan 8.180 nan 0.000 0.567 29 I N 0.933 121.560 120.570 0.095 0.000 2.179 29 I HA -0.330 3.950 4.170 0.183 0.000 0.242 29 I C 2.139 178.192 176.117 -0.106 0.000 1.088 29 I CA 1.603 62.890 61.300 -0.021 0.000 1.357 29 I CB -0.667 37.349 38.000 0.027 0.000 1.051 29 I HN -0.041 nan 8.210 nan 0.000 0.409 30 E N 0.423 120.587 120.200 -0.060 0.000 2.106 30 E HA -0.157 4.303 4.350 0.183 0.000 0.192 30 E C 2.123 178.639 176.600 -0.139 0.000 0.984 30 E CA 1.688 58.041 56.400 -0.077 0.000 0.806 30 E CB -0.322 29.362 29.700 -0.025 0.000 0.750 30 E HN 0.469 nan 8.360 nan 0.000 0.458 31 T N 1.637 116.085 114.554 -0.175 0.000 2.674 31 T HA -0.181 4.279 4.350 0.183 0.000 0.265 31 T C 1.935 176.375 174.700 -0.434 0.000 1.039 31 T CA 1.269 63.227 62.100 -0.237 0.000 1.150 31 T CB -0.230 68.453 68.868 -0.308 0.000 0.864 31 T HN 0.185 nan 8.240 nan 0.000 0.427 32 Q N 0.616 119.982 119.800 -0.723 0.000 2.152 32 Q HA -0.172 4.277 4.340 0.183 0.000 0.206 32 Q C 2.025 177.408 176.000 -1.028 0.000 0.985 32 Q CA 1.471 56.591 55.803 -1.138 0.000 0.863 32 Q CB -0.232 28.055 28.738 -0.752 0.000 0.904 32 Q HN 0.477 nan 8.270 nan 0.000 0.422 33 D N -0.250 119.852 120.400 -0.498 0.000 2.219 33 D HA -0.094 4.656 4.640 0.183 0.000 0.205 33 D C 1.906 178.046 176.300 -0.267 0.000 0.970 33 D CA 0.607 54.442 54.000 -0.275 0.000 0.851 33 D CB -0.053 40.673 40.800 -0.124 0.000 0.943 33 D HN 0.047 nan 8.370 nan 0.000 0.488 34 V N 1.152 120.922 119.914 -0.241 0.000 2.261 34 V HA -0.229 4.001 4.120 0.183 0.000 0.246 34 V C 2.213 178.330 176.094 0.038 0.000 1.047 34 V CA 1.816 64.055 62.300 -0.101 0.000 1.015 34 V CB -0.638 31.202 31.823 0.028 0.000 0.642 34 V HN 0.237 nan 8.190 nan 0.000 0.446 35 F N -1.122 118.883 119.950 0.091 0.000 2.416 35 F HA 0.155 4.792 4.527 0.183 0.000 0.296 35 F C 1.902 177.724 175.800 0.037 0.000 1.099 35 F CA 0.940 59.069 58.000 0.214 0.000 1.427 35 F CB -0.877 38.153 39.000 0.050 0.000 1.079 35 F HN 0.005 nan 8.300 nan 0.000 0.536 36 L N 0.272 121.158 121.223 -0.561 0.000 2.072 36 L HA -0.062 4.388 4.340 0.183 0.000 0.205 36 L C 2.621 179.302 176.870 -0.316 0.000 1.079 36 L CA 1.776 56.294 54.840 -0.537 0.000 0.752 36 L CB -0.370 41.067 42.059 -1.037 0.000 0.906 36 L HN 0.248 nan 8.230 nan 0.000 0.436 37 K N -0.967 119.305 120.400 -0.213 0.000 2.286 37 K HA -0.027 4.403 4.320 0.183 0.000 0.203 37 K C 1.563 178.129 176.600 -0.056 0.000 1.078 37 K CA 0.340 56.558 56.287 -0.116 0.000 0.957 37 K CB 0.346 32.780 32.500 -0.109 0.000 1.018 37 K HN 0.002 nan 8.250 nan 0.000 0.484 38 D N 0.158 120.478 120.400 -0.133 0.000 2.144 38 D HA -0.101 4.649 4.640 0.183 0.000 0.200 38 D C 1.324 177.468 176.300 -0.260 0.000 0.978 38 D CA 1.190 55.042 54.000 -0.247 0.000 0.833 38 D CB 0.036 40.575 40.800 -0.435 0.000 0.961 38 D HN 0.183 nan 8.370 nan 0.000 0.470 39 F N 0.212 120.181 119.950 0.031 0.000 2.656 39 F HA 0.173 4.810 4.527 0.183 0.000 0.291 39 F C 0.573 176.408 175.800 0.059 0.000 1.122 39 F CA -0.062 57.969 58.000 0.051 0.000 1.427 39 F CB -0.121 38.922 39.000 0.072 0.000 1.125 39 F HN -0.213 nan 8.300 nan 0.000 0.583 40 N N 1.341 120.171 118.700 0.218 0.000 2.727 40 N HA -0.159 4.691 4.740 0.183 0.000 0.251 40 N C -0.381 175.216 175.510 0.145 0.000 1.040 40 N CA 0.901 54.054 53.050 0.171 0.000 0.712 40 N CB -1.665 36.929 38.487 0.179 0.000 0.912 40 N HN 0.100 nan 8.380 nan 0.000 0.545 41 T N 0.475 115.122 114.554 0.155 0.000 2.928 41 T HA 0.051 4.511 4.350 0.183 0.000 0.305 41 T C 1.620 176.348 174.700 0.047 0.000 1.035 41 T CA 0.188 62.353 62.100 0.108 0.000 1.145 41 T CB 1.129 70.093 68.868 0.160 0.000 0.963 41 T HN 0.228 nan 8.240 nan 0.000 0.545 42 E N 1.563 121.769 120.200 0.009 0.000 2.340 42 E HA 0.111 4.571 4.350 0.183 0.000 0.198 42 E C 0.682 177.232 176.600 -0.084 0.000 0.961 42 E CA 0.204 56.575 56.400 -0.047 0.000 0.905 42 E CB 0.546 30.221 29.700 -0.042 0.000 0.884 42 E HN 0.326 nan 8.360 nan 0.000 0.491 43 R N 1.449 121.918 120.500 -0.051 0.000 2.352 43 R HA 0.282 4.732 4.340 0.183 0.000 0.304 43 R C -1.423 174.838 176.300 -0.065 0.000 1.104 43 R CA -0.276 55.787 56.100 -0.062 0.000 0.991 43 R CB 1.980 32.249 30.300 -0.052 0.000 1.140 43 R HN -0.087 nan 8.270 nan 0.000 0.540 44 V N 5.327 125.210 119.914 -0.050 0.000 2.364 44 V HA 0.383 4.613 4.120 0.183 0.000 0.272 44 V C -0.599 175.453 176.094 -0.070 0.000 1.036 44 V CA -0.361 61.892 62.300 -0.079 0.000 0.880 44 V CB 1.490 33.315 31.823 0.003 0.000 0.991 44 V HN 0.358 nan 8.190 nan 0.000 0.460 45 V N 6.926 126.781 119.914 -0.099 0.000 2.417 45 V HA 0.435 4.665 4.120 0.183 0.000 0.291 45 V C 0.072 176.139 176.094 -0.044 0.000 1.024 45 V CA -0.556 61.703 62.300 -0.067 0.000 0.861 45 V CB 1.738 33.511 31.823 -0.084 0.000 0.985 45 V HN 0.989 nan 8.190 nan 0.000 0.436 46 E N 5.590 125.789 120.200 -0.000 0.000 2.174 46 E HA 0.424 4.884 4.350 0.183 0.000 0.282 46 E C -0.939 175.686 176.600 0.041 0.000 0.992 46 E CA -0.558 55.855 56.400 0.022 0.000 0.803 46 E CB 1.055 30.782 29.700 0.045 0.000 1.090 46 E HN 0.646 nan 8.360 nan 0.000 0.396 47 I N 5.203 125.778 120.570 0.009 0.000 2.347 47 I HA 0.473 4.753 4.170 0.183 0.000 0.283 47 I C 0.309 176.399 176.117 -0.045 0.000 1.058 47 I CA -0.381 60.912 61.300 -0.012 0.000 1.202 47 I CB 0.719 38.679 38.000 -0.067 0.000 1.386 47 I HN 0.625 nan 8.210 nan 0.000 0.475 48 G N 5.884 114.675 108.800 -0.016 0.000 2.559 48 G HA2 0.426 4.496 3.960 0.183 0.000 0.291 48 G HA3 0.426 4.496 3.960 0.183 0.000 0.291 48 G C -2.691 172.211 174.900 0.002 0.000 1.424 48 G CA -0.527 44.554 45.100 -0.032 0.000 0.786 48 G HN 0.179 nan 8.290 nan 0.000 0.485 49 P HA 0.014 nan 4.420 nan 0.000 0.215 49 P C 1.035 178.352 177.300 0.028 0.000 1.157 49 P CA 1.757 64.862 63.100 0.008 0.000 0.868 49 P CB 0.163 31.858 31.700 -0.009 0.000 0.788 50 S N -3.403 112.307 115.700 0.018 0.000 2.704 50 S HA 0.584 5.164 4.470 0.183 0.000 0.296 50 S C -2.808 171.806 174.600 0.024 0.000 1.138 50 S CA -1.600 56.614 58.200 0.023 0.000 0.875 50 S CB 1.399 64.607 63.200 0.013 0.000 1.151 50 S HN -0.217 nan 8.310 nan 0.000 0.500 51 P HA 0.224 nan 4.420 nan 0.000 0.228 51 P C 1.068 178.389 177.300 0.035 0.000 1.764 51 P CA -0.137 62.983 63.100 0.035 0.000 0.929 51 P CB -0.401 31.320 31.700 0.035 0.000 1.675 52 T N -2.940 111.627 114.554 0.022 0.000 2.770 52 T HA -0.079 4.381 4.350 0.183 0.000 0.263 52 T C 1.702 176.426 174.700 0.039 0.000 1.039 52 T CA 0.843 62.953 62.100 0.017 0.000 1.142 52 T CB -1.109 67.751 68.868 -0.012 0.000 0.868 52 T HN 0.069 nan 8.240 nan 0.000 0.435 53 L N 0.815 122.062 121.223 0.040 0.000 2.362 53 L HA 0.144 4.594 4.340 0.183 0.000 0.219 53 L C 3.087 180.073 176.870 0.195 0.000 1.134 53 L CA 0.658 55.570 54.840 0.121 0.000 0.807 53 L CB -0.589 41.532 42.059 0.103 0.000 0.927 53 L HN 0.446 nan 8.230 nan 0.000 0.447 54 A N 0.169 123.063 122.820 0.123 0.000 1.835 54 A HA -0.020 4.409 4.320 0.183 0.000 0.213 54 A C 2.362 180.009 177.584 0.106 0.000 1.210 54 A CA 1.236 53.340 52.037 0.111 0.000 0.605 54 A CB -1.252 17.791 19.000 0.072 0.000 0.860 54 A HN 0.361 nan 8.150 nan 0.000 0.447 55 G N -0.704 108.146 108.800 0.084 0.000 2.479 55 G HA2 -0.231 3.839 3.960 0.183 0.000 0.220 55 G HA3 -0.231 3.839 3.960 0.183 0.000 0.220 55 G C 1.540 176.496 174.900 0.093 0.000 1.115 55 G CA 1.334 46.479 45.100 0.075 0.000 0.757 55 G HN 0.467 nan 8.290 nan 0.000 0.560 56 M N 0.743 120.419 119.600 0.126 0.000 2.064 56 M HA 0.127 4.717 4.480 0.183 0.000 0.260 56 M C 2.833 179.231 176.300 0.164 0.000 1.073 56 M CA 1.813 57.214 55.300 0.168 0.000 1.124 56 M CB -0.095 32.658 32.600 0.255 0.000 1.326 56 M HN 0.223 nan 8.290 nan 0.000 0.410 57 A N -0.439 122.495 122.820 0.189 0.000 2.070 57 A HA -0.198 4.232 4.320 0.183 0.000 0.220 57 A C 1.910 179.533 177.584 0.066 0.000 1.159 57 A CA 1.581 53.693 52.037 0.126 0.000 0.656 57 A CB -0.696 18.424 19.000 0.200 0.000 0.800 57 A HN 0.724 nan 8.150 nan 0.000 0.453 58 Q N -0.802 119.045 119.800 0.078 0.000 2.033 58 Q HA -0.108 4.341 4.340 0.183 0.000 0.196 58 Q C 2.359 178.396 176.000 0.062 0.000 0.970 58 Q CA 1.259 57.098 55.803 0.061 0.000 0.828 58 Q CB -0.155 28.620 28.738 0.061 0.000 0.895 58 Q HN 0.633 nan 8.270 nan 0.000 0.440 59 R N 0.134 120.674 120.500 0.067 0.000 2.094 59 R HA -0.133 4.317 4.340 0.183 0.000 0.239 59 R C 2.425 178.767 176.300 0.071 0.000 1.137 59 R CA 1.998 58.137 56.100 0.065 0.000 0.943 59 R CB -0.612 29.727 30.300 0.064 0.000 0.850 59 R HN 0.235 nan 8.270 nan 0.000 0.433 60 T N 1.451 116.049 114.554 0.072 0.000 2.721 60 T HA -0.176 4.284 4.350 0.183 0.000 0.268 60 T C 1.796 176.587 174.700 0.152 0.000 1.038 60 T CA 1.276 63.426 62.100 0.084 0.000 1.145 60 T CB -0.196 68.692 68.868 0.033 0.000 0.858 60 T HN 0.145 nan 8.240 nan 0.000 0.459 61 L N 0.286 121.571 121.223 0.102 0.000 2.027 61 L HA -0.058 4.392 4.340 0.183 0.000 0.206 61 L C 2.756 179.728 176.870 0.169 0.000 1.074 61 L CA 1.368 56.298 54.840 0.150 0.000 0.745 61 L CB -0.423 41.663 42.059 0.044 0.000 0.898 61 L HN 0.199 nan 8.230 nan 0.000 0.433 62 K N 0.095 120.558 120.400 0.105 0.000 2.097 62 K HA -0.153 4.277 4.320 0.183 0.000 0.206 62 K C 1.774 178.415 176.600 0.068 0.000 1.049 62 K CA 1.334 57.670 56.287 0.081 0.000 0.933 62 K CB 0.096 32.633 32.500 0.061 0.000 0.717 62 K HN 0.272 nan 8.250 nan 0.000 0.442 63 N N 0.498 119.237 118.700 0.066 0.000 2.396 63 N HA -0.077 4.773 4.740 0.183 0.000 0.180 63 N C 0.747 176.256 175.510 -0.001 0.000 1.028 63 N CA 1.068 54.139 53.050 0.034 0.000 0.893 63 N CB 0.291 38.798 38.487 0.033 0.000 0.967 63 N HN 0.269 nan 8.380 nan 0.000 0.440 64 K N -1.790 118.612 120.400 0.002 0.000 2.658 64 K HA 0.176 4.606 4.320 0.183 0.000 0.202 64 K C 0.255 176.656 176.600 -0.332 0.000 1.563 64 K CA -0.002 56.173 56.287 -0.186 0.000 1.129 64 K CB 0.504 32.827 32.500 -0.296 0.000 1.507 64 K HN -0.005 nan 8.250 nan 0.000 0.581 65 Y N 1.470 121.755 120.300 -0.025 0.000 2.485 65 Y HA 0.116 4.776 4.550 0.183 0.000 0.260 65 Y C 1.770 177.713 175.900 0.071 0.000 1.173 65 Y CA -0.091 58.017 58.100 0.013 0.000 1.252 65 Y CB 0.444 38.897 38.460 -0.012 0.000 1.123 65 Y HN 0.033 nan 8.280 nan 0.000 0.524 66 E N 0.589 120.865 120.200 0.128 0.000 2.086 66 E HA -0.273 4.187 4.350 0.183 0.000 0.205 66 E C 2.389 179.048 176.600 0.100 0.000 1.027 66 E CA 2.242 58.700 56.400 0.098 0.000 0.830 66 E CB -0.247 29.485 29.700 0.052 0.000 0.751 66 E HN 0.225 nan 8.360 nan 0.000 0.456 67 S N -2.047 113.705 115.700 0.087 0.000 2.387 67 S HA -0.057 4.523 4.470 0.183 0.000 0.221 67 S C 1.829 176.500 174.600 0.117 0.000 1.041 67 S CA 0.614 58.861 58.200 0.077 0.000 0.959 67 S CB -0.652 62.575 63.200 0.046 0.000 0.843 67 S HN 0.474 nan 8.310 nan 0.000 0.488 68 Y N 2.619 122.930 120.300 0.019 0.000 2.069 68 Y HA -0.251 4.409 4.550 0.183 0.000 0.278 68 Y C 1.924 177.870 175.900 0.076 0.000 1.175 68 Y CA 2.509 60.637 58.100 0.047 0.000 1.134 68 Y CB -0.655 37.854 38.460 0.082 0.000 0.965 68 Y HN 0.302 nan 8.280 nan 0.000 0.498 69 D N -0.204 120.369 120.400 0.289 0.000 2.092 69 D HA -0.222 4.527 4.640 0.183 0.000 0.193 69 D C 2.316 178.656 176.300 0.066 0.000 0.994 69 D CA 1.659 55.764 54.000 0.175 0.000 0.828 69 D CB -0.848 40.070 40.800 0.195 0.000 0.963 69 D HN 0.475 nan 8.370 nan 0.000 0.450 70 A N 1.100 123.959 122.820 0.065 0.000 1.849 70 A HA -0.161 4.269 4.320 0.183 0.000 0.217 70 A C 2.332 179.915 177.584 -0.002 0.000 1.202 70 A CA 3.062 55.120 52.037 0.034 0.000 0.629 70 A CB -1.234 17.787 19.000 0.035 0.000 0.834 70 A HN 0.256 nan 8.150 nan 0.000 0.447 71 A N -0.562 122.243 122.820 -0.025 0.000 1.865 71 A HA -0.087 4.343 4.320 0.183 0.000 0.217 71 A C 2.040 179.575 177.584 -0.082 0.000 1.191 71 A CA 1.665 53.670 52.037 -0.053 0.000 0.623 71 A CB -0.780 18.180 19.000 -0.067 0.000 0.826 71 A HN 0.508 nan 8.150 nan 0.000 0.444 72 L N 1.112 122.246 121.223 -0.148 0.000 2.622 72 L HA -0.055 4.395 4.340 0.183 0.000 0.233 72 L C 1.277 178.103 176.870 -0.073 0.000 1.156 72 L CA 0.618 55.361 54.840 -0.161 0.000 0.866 72 L CB -0.598 41.265 42.059 -0.327 0.000 0.980 72 L HN 0.736 nan 8.230 nan 0.000 0.448 73 S N 0.044 115.723 115.700 -0.034 0.000 3.559 73 S HA -0.188 4.392 4.470 0.183 0.000 0.369 73 S C -0.096 174.522 174.600 0.030 0.000 0.987 73 S CA 0.638 58.841 58.200 0.004 0.000 1.187 73 S CB -2.641 60.559 63.200 -0.000 0.000 0.914 73 S HN 0.375 nan 8.310 nan 0.000 0.480 74 L N -0.400 120.848 121.223 0.042 0.000 2.280 74 L HA 0.619 5.069 4.340 0.183 0.000 0.287 74 L C 0.263 177.206 176.870 0.122 0.000 1.023 74 L CA -0.873 54.011 54.840 0.073 0.000 0.819 74 L CB 0.768 42.864 42.059 0.061 0.000 1.212 74 L HN 0.431 nan 8.230 nan 0.000 0.420 75 H N 4.472 123.563 119.070 0.034 0.000 2.800 75 H HA 0.389 5.055 4.556 0.183 0.000 0.291 75 H C -0.754 174.598 175.328 0.041 0.000 1.076 75 H CA -0.501 55.568 56.048 0.036 0.000 1.452 75 H CB 0.732 30.512 29.762 0.030 0.000 1.461 75 H HN 0.709 nan 8.280 nan 0.000 0.488 76 R N 4.106 124.499 120.500 -0.177 0.000 2.474 76 R HA 0.238 4.688 4.340 0.183 0.000 0.295 76 R C -0.486 175.609 176.300 -0.341 0.000 0.980 76 R CA -0.692 55.274 56.100 -0.223 0.000 0.934 76 R CB 1.686 31.949 30.300 -0.062 0.000 1.101 76 R HN 0.689 nan 8.270 nan 0.000 0.469 77 E N 2.955 122.994 120.200 -0.267 0.000 2.241 77 E HA 0.299 4.759 4.350 0.183 0.000 0.263 77 E C -1.176 175.385 176.600 -0.065 0.000 0.882 77 E CA -0.493 55.808 56.400 -0.165 0.000 0.769 77 E CB 1.462 31.051 29.700 -0.185 0.000 1.185 77 E HN 0.436 nan 8.360 nan 0.000 0.415 78 I N 6.008 126.567 120.570 -0.019 0.000 2.354 78 I HA 0.320 4.600 4.170 0.183 0.000 0.286 78 I C -0.758 175.361 176.117 0.004 0.000 1.007 78 I CA -0.446 60.856 61.300 0.003 0.000 1.167 78 I CB 0.848 38.865 38.000 0.029 0.000 1.320 78 I HN 0.325 nan 8.210 nan 0.000 0.458 79 L N 6.235 127.452 121.223 -0.011 0.000 2.362 79 L HA 0.517 4.967 4.340 0.183 0.000 0.275 79 L C -0.703 176.164 176.870 -0.005 0.000 0.998 79 L CA -0.621 54.207 54.840 -0.020 0.000 0.820 79 L CB 2.241 44.266 42.059 -0.058 0.000 1.270 79 L HN 0.568 nan 8.230 nan 0.000 0.415 80 C N 1.822 121.127 119.300 0.008 0.000 2.303 80 C HA 0.251 4.821 4.460 0.183 0.000 0.326 80 C C 1.516 176.537 174.990 0.051 0.000 1.285 80 C CA -0.502 58.540 59.018 0.039 0.000 1.675 80 C CB 0.312 28.079 27.740 0.045 0.000 2.289 80 C HN 0.903 nan 8.230 nan 0.000 0.512 81 Y N 3.756 124.043 120.300 -0.023 0.000 2.193 81 Y HA -0.185 4.474 4.550 0.183 0.000 0.285 81 Y C 2.541 178.451 175.900 0.018 0.000 1.166 81 Y CA 2.507 60.603 58.100 -0.007 0.000 1.181 81 Y CB 0.039 38.492 38.460 -0.013 0.000 0.976 81 Y HN 0.834 nan 8.280 nan 0.000 0.520 82 S N -0.068 115.776 115.700 0.240 0.000 2.369 82 S HA -0.282 4.298 4.470 0.183 0.000 0.225 82 S C 1.829 176.466 174.600 0.061 0.000 1.043 82 S CA 2.278 60.572 58.200 0.156 0.000 1.074 82 S CB -0.280 62.977 63.200 0.096 0.000 0.962 82 S HN 0.615 nan 8.310 nan 0.000 0.433 83 K N -0.496 119.920 120.400 0.026 0.000 2.391 83 K HA 0.193 4.623 4.320 0.183 0.000 0.197 83 K C -0.433 176.154 176.600 -0.021 0.000 1.087 83 K CA 0.246 56.535 56.287 0.004 0.000 1.012 83 K CB 0.514 33.022 32.500 0.014 0.000 0.925 83 K HN 0.301 nan 8.250 nan 0.000 0.547 84 D N 1.025 121.399 120.400 -0.042 0.000 3.068 84 D HA 0.175 4.925 4.640 0.183 0.000 0.327 84 D C 0.643 176.884 176.300 -0.099 0.000 1.361 84 D CA -0.038 53.929 54.000 -0.055 0.000 0.877 84 D CB 1.079 41.853 40.800 -0.044 0.000 1.088 84 D HN 0.048 nan 8.370 nan 0.000 0.489 85 A N 1.216 123.974 122.820 -0.103 0.000 1.858 85 A HA -0.218 4.212 4.320 0.183 0.000 0.216 85 A C 2.149 179.736 177.584 0.006 0.000 1.190 85 A CA 1.072 53.060 52.037 -0.082 0.000 0.617 85 A CB -0.050 18.886 19.000 -0.107 0.000 0.827 85 A HN 0.081 nan 8.150 nan 0.000 0.443 86 K N -0.139 120.251 120.400 -0.017 0.000 2.077 86 K HA -0.235 4.195 4.320 0.183 0.000 0.213 86 K C 1.703 178.299 176.600 -0.008 0.000 1.051 86 K CA 2.126 58.415 56.287 0.003 0.000 0.929 86 K CB -0.437 32.064 32.500 0.002 0.000 0.715 86 K HN 0.601 nan 8.250 nan 0.000 0.451 87 E N 0.069 120.238 120.200 -0.052 0.000 2.285 87 E HA 0.056 4.515 4.350 0.183 0.000 0.194 87 E C 1.982 178.410 176.600 -0.286 0.000 0.997 87 E CA 0.385 56.731 56.400 -0.091 0.000 0.845 87 E CB 0.043 29.712 29.700 -0.052 0.000 0.782 87 E HN 0.298 nan 8.360 nan 0.000 0.491 88 I N -0.887 119.501 120.570 -0.303 0.000 2.494 88 I HA -0.128 4.152 4.170 0.183 0.000 0.250 88 I C 1.062 176.791 176.117 -0.647 0.000 1.112 88 I CA 0.760 61.767 61.300 -0.488 0.000 1.438 88 I CB 0.097 37.833 38.000 -0.441 0.000 1.111 88 I HN 0.102 nan 8.210 nan 0.000 0.431 89 Y N -0.522 119.577 120.300 -0.336 0.000 2.466 89 Y HA 0.048 4.708 4.550 0.183 0.000 0.272 89 Y C -0.240 175.616 175.900 -0.072 0.000 1.169 89 Y CA -0.421 57.562 58.100 -0.195 0.000 1.285 89 Y CB -0.165 38.224 38.460 -0.118 0.000 1.078 89 Y HN 0.040 nan 8.280 nan 0.000 0.523 90 Y N 0.179 120.530 120.300 0.085 0.000 3.125 90 Y HA -0.233 4.427 4.550 0.183 0.000 0.200 90 Y C 0.124 176.056 175.900 0.054 0.000 1.373 90 Y CA 0.353 58.484 58.100 0.051 0.000 1.180 90 Y CB -2.471 36.009 38.460 0.033 0.000 1.381 90 Y HN 0.176 nan 8.280 nan 0.000 0.501 91 T N -0.821 113.830 114.554 0.163 0.000 3.089 91 T HA 0.696 5.156 4.350 0.183 0.000 0.340 91 T C -2.578 172.158 174.700 0.061 0.000 1.008 91 T CA -1.511 60.647 62.100 0.097 0.000 1.096 91 T CB 3.178 72.083 68.868 0.063 0.000 1.024 91 T HN -0.022 nan 8.240 nan 0.000 0.477 92 P HA 0.711 nan 4.420 nan 0.000 0.317 92 P C -0.954 176.361 177.300 0.025 0.000 1.301 92 P CA -0.589 62.536 63.100 0.042 0.000 0.799 92 P CB 0.905 32.636 31.700 0.051 0.000 1.344 93 D N -0.892 119.520 120.400 0.019 0.000 2.277 93 D HA 0.423 5.172 4.640 0.183 0.000 0.250 93 D C -1.573 174.734 176.300 0.013 0.000 1.032 93 D CA -0.641 53.366 54.000 0.012 0.000 0.947 93 D CB -1.445 39.359 40.800 0.008 0.000 1.159 93 D HN 0.266 nan 8.370 nan 0.000 0.460 141 A N 2.846 125.681 122.820 0.024 0.000 2.537 141 A HA 0.258 4.688 4.320 0.183 0.000 0.260 141 A C -0.048 177.559 177.584 0.038 0.000 1.082 141 A CA 0.293 52.345 52.037 0.025 0.000 0.765 141 A CB -0.365 18.647 19.000 0.020 0.000 1.019 141 A HN 0.620 nan 8.150 nan 0.000 0.507 142 D N 2.659 123.079 120.400 0.032 0.000 2.346 142 D HA 0.178 4.928 4.640 0.183 0.000 0.260 142 D C -0.136 176.190 176.300 0.043 0.000 1.252 142 D CA 0.381 54.404 54.000 0.039 0.000 0.895 142 D CB 0.434 41.250 40.800 0.026 0.000 1.097 142 D HN 0.444 nan 8.370 nan 0.000 0.489 143 E N 4.210 124.450 120.200 0.066 0.000 2.204 143 E HA 0.404 4.864 4.350 0.183 0.000 0.276 143 E C -2.105 174.536 176.600 0.069 0.000 0.974 143 E CA -2.231 54.209 56.400 0.067 0.000 0.815 143 E CB 0.978 30.733 29.700 0.092 0.000 1.119 143 E HN 0.331 nan 8.360 nan 0.000 0.393 144 P HA 0.028 nan 4.420 nan 0.000 0.274 144 P C -0.388 176.967 177.300 0.093 0.000 1.260 144 P CA -0.459 62.666 63.100 0.042 0.000 0.793 144 P CB 0.378 32.063 31.700 -0.025 0.000 1.048 145 V N -2.192 117.806 119.914 0.140 0.000 2.583 145 V HA 0.349 4.579 4.120 0.183 0.000 0.287 145 V C 0.251 176.521 176.094 0.293 0.000 1.051 145 V CA -0.523 61.917 62.300 0.233 0.000 1.010 145 V CB 0.091 32.081 31.823 0.279 0.000 0.988 145 V HN 0.280 nan 8.190 nan 0.000 0.478 146 K N 2.726 123.291 120.400 0.275 0.000 2.118 146 K HA 0.605 5.034 4.320 0.183 0.000 0.264 146 K C 1.240 178.117 176.600 0.462 0.000 1.000 146 K CA -0.027 56.429 56.287 0.282 0.000 0.929 146 K CB 1.740 34.341 32.500 0.168 0.000 1.021 146 K HN 0.848 nan 8.250 nan 0.000 0.463 147 A N 1.368 124.530 122.820 0.569 0.000 2.067 147 A HA -0.142 4.288 4.320 0.183 0.000 0.219 147 A C 2.183 179.951 177.584 0.307 0.000 1.158 147 A CA 1.867 54.243 52.037 0.566 0.000 0.661 147 A CB -0.347 18.972 19.000 0.532 0.000 0.801 147 A HN 0.751 nan 8.150 nan 0.000 0.452 148 S N -0.570 115.276 115.700 0.244 0.000 2.355 148 S HA -0.089 4.491 4.470 0.183 0.000 0.222 148 S C 1.919 176.653 174.600 0.224 0.000 1.031 148 S CA 1.295 59.617 58.200 0.203 0.000 0.993 148 S CB -0.349 62.941 63.200 0.150 0.000 0.859 148 S HN 0.461 nan 8.310 nan 0.000 0.453 149 L N 0.773 122.115 121.223 0.199 0.000 2.201 149 L HA 0.047 4.497 4.340 0.183 0.000 0.212 149 L C 2.225 179.208 176.870 0.188 0.000 1.105 149 L CA 1.326 56.270 54.840 0.173 0.000 0.775 149 L CB -0.722 41.434 42.059 0.162 0.000 0.913 149 L HN 0.440 nan 8.230 nan 0.000 0.440 150 L N -0.661 120.685 121.223 0.205 0.000 2.162 150 L HA -0.096 4.354 4.340 0.183 0.000 0.205 150 L C 2.153 179.139 176.870 0.192 0.000 1.086 150 L CA 1.210 56.138 54.840 0.147 0.000 0.778 150 L CB -0.467 41.634 42.059 0.069 0.000 0.928 150 L HN 0.191 nan 8.230 nan 0.000 0.446 151 L N -1.296 120.093 121.223 0.276 0.000 2.217 151 L HA -0.134 4.316 4.340 0.183 0.000 0.211 151 L C 2.308 179.280 176.870 0.169 0.000 1.107 151 L CA 1.689 56.674 54.840 0.242 0.000 0.783 151 L CB -0.598 41.573 42.059 0.188 0.000 0.919 151 L HN 0.437 nan 8.230 nan 0.000 0.442 152 H N -2.058 117.080 119.070 0.114 0.000 2.317 152 H HA -0.042 4.624 4.556 0.183 0.000 0.304 152 H C 2.146 177.522 175.328 0.080 0.000 1.067 152 H CA 1.736 57.837 56.048 0.089 0.000 1.352 152 H CB 0.163 29.972 29.762 0.079 0.000 1.398 152 H HN 0.123 nan 8.280 nan 0.000 0.510 153 V N 0.739 120.798 119.914 0.241 0.000 2.469 153 V HA -0.258 3.971 4.120 0.183 0.000 0.251 153 V C 2.366 178.531 176.094 0.119 0.000 1.064 153 V CA 1.671 64.057 62.300 0.143 0.000 1.066 153 V CB -0.484 31.385 31.823 0.077 0.000 0.667 153 V HN 0.406 nan 8.190 nan 0.000 0.461 154 L N -0.900 120.391 121.223 0.114 0.000 2.109 154 L HA -0.070 4.380 4.340 0.183 0.000 0.207 154 L C 2.333 179.269 176.870 0.111 0.000 1.086 154 L CA 0.890 55.798 54.840 0.113 0.000 0.760 154 L CB -0.349 41.753 42.059 0.072 0.000 0.910 154 L HN 0.179 nan 8.230 nan 0.000 0.437 155 V N -0.349 119.610 119.914 0.076 0.000 2.719 155 V HA -0.080 4.150 4.120 0.183 0.000 0.252 155 V C 2.489 178.605 176.094 0.037 0.000 1.065 155 V CA 1.360 63.680 62.300 0.034 0.000 1.086 155 V CB -0.221 31.592 31.823 -0.016 0.000 0.700 155 V HN 0.414 nan 8.190 nan 0.000 0.467 156 A N -1.558 121.304 122.820 0.069 0.000 2.067 156 A HA -0.161 4.269 4.320 0.183 0.000 0.217 156 A C 2.109 179.785 177.584 0.153 0.000 1.156 156 A CA 1.314 53.412 52.037 0.102 0.000 0.683 156 A CB -0.682 18.414 19.000 0.159 0.000 0.808 156 A HN 0.694 nan 8.150 nan 0.000 0.455 157 H N -0.852 118.240 119.070 0.037 0.000 2.355 157 H HA 0.016 4.682 4.556 0.183 0.000 0.303 157 H C 1.979 177.317 175.328 0.017 0.000 1.061 157 H CA 1.361 57.427 56.048 0.029 0.000 1.368 157 H CB 0.181 29.959 29.762 0.026 0.000 1.412 157 H HN 0.388 nan 8.280 nan 0.000 0.523 158 K N 0.628 121.033 120.400 0.008 0.000 2.362 158 K HA -0.022 4.408 4.320 0.183 0.000 0.200 158 K C 1.666 178.246 176.600 -0.032 0.000 1.046 158 K CA 0.585 56.834 56.287 -0.064 0.000 0.952 158 K CB 0.100 32.583 32.500 -0.029 0.000 0.753 158 K HN 0.318 nan 8.250 nan 0.000 0.466 159 L N -0.613 120.614 121.223 0.006 0.000 2.556 159 L HA 0.186 4.635 4.340 0.183 0.000 0.226 159 L C 0.191 177.074 176.870 0.021 0.000 1.089 159 L CA -0.095 54.752 54.840 0.011 0.000 0.864 159 L CB 0.085 42.154 42.059 0.017 0.000 1.067 159 L HN 0.043 nan 8.230 nan 0.000 0.477 160 K N 0.680 121.105 120.400 0.042 0.000 3.192 160 K HA -0.142 4.287 4.320 0.183 0.000 0.278 160 K C -0.509 176.127 176.600 0.061 0.000 1.164 160 K CA 0.769 57.091 56.287 0.058 0.000 0.816 160 K CB -1.174 31.342 32.500 0.026 0.000 1.256 160 K HN 0.274 nan 8.250 nan 0.000 0.497 161 K N 0.804 121.245 120.400 0.068 0.000 2.427 161 K HA 0.242 4.672 4.320 0.183 0.000 0.252 161 K C 0.221 176.871 176.600 0.082 0.000 0.931 161 K CA -0.486 55.839 56.287 0.064 0.000 0.793 161 K CB 1.961 34.490 32.500 0.049 0.000 1.211 161 K HN 0.195 nan 8.250 nan 0.000 0.426 162 S N 1.296 117.042 115.700 0.077 0.000 2.549 162 S HA -0.085 4.495 4.470 0.183 0.000 0.278 162 S C 1.196 175.867 174.600 0.118 0.000 1.344 162 S CA -0.218 58.033 58.200 0.086 0.000 1.025 162 S CB 0.085 63.324 63.200 0.065 0.000 0.851 162 S HN 0.588 nan 8.310 nan 0.000 0.530 163 L N -1.303 120.003 121.223 0.139 0.000 2.675 163 L HA 0.324 4.774 4.340 0.183 0.000 0.238 163 L C 0.918 177.901 176.870 0.188 0.000 1.155 163 L CA 0.923 55.910 54.840 0.244 0.000 0.881 163 L CB -0.734 41.465 42.059 0.233 0.000 1.008 163 L HN 0.471 nan 8.230 nan 0.000 0.443 164 D N -0.472 119.992 120.400 0.106 0.000 2.216 164 D HA -0.026 4.724 4.640 0.183 0.000 0.208 164 D C 2.180 178.535 176.300 0.092 0.000 0.960 164 D CA 1.009 55.057 54.000 0.079 0.000 0.861 164 D CB 0.153 40.980 40.800 0.045 0.000 0.985 164 D HN 0.355 nan 8.370 nan 0.000 0.493 165 S N -0.011 115.742 115.700 0.087 0.000 2.442 165 S HA 0.006 4.586 4.470 0.183 0.000 0.236 165 S C 0.987 175.632 174.600 0.075 0.000 1.007 165 S CA 0.428 58.669 58.200 0.069 0.000 0.965 165 S CB 0.049 63.284 63.200 0.058 0.000 0.773 165 S HN 0.201 nan 8.310 nan 0.000 0.504 166 I N 2.797 123.437 120.570 0.117 0.000 2.328 166 I HA 0.294 4.573 4.170 0.183 0.000 0.287 166 I C -2.737 173.461 176.117 0.136 0.000 1.012 166 I CA -2.463 58.885 61.300 0.080 0.000 1.195 166 I CB 1.612 39.604 38.000 -0.014 0.000 1.350 166 I HN -0.115 nan 8.210 nan 0.000 0.464 167 P HA 0.309 nan 4.420 nan 0.000 0.287 167 P C 0.386 177.722 177.300 0.060 0.000 1.281 167 P CA -0.531 62.626 63.100 0.095 0.000 0.781 167 P CB 0.967 32.700 31.700 0.055 0.000 0.903 168 M N 0.773 120.442 119.600 0.115 0.000 2.700 168 M HA -0.090 4.500 4.480 0.183 0.000 0.249 168 M C 1.249 177.570 176.300 0.035 0.000 1.082 168 M CA 1.029 56.363 55.300 0.057 0.000 1.077 168 M CB -0.554 32.125 32.600 0.132 0.000 1.477 168 M HN 0.324 nan 8.290 nan 0.000 0.529 169 S N 0.414 116.138 115.700 0.039 0.000 2.356 169 S HA -0.059 4.521 4.470 0.183 0.000 0.223 169 S C 1.117 175.724 174.600 0.011 0.000 1.032 169 S CA 0.991 59.206 58.200 0.024 0.000 1.005 169 S CB -0.069 63.147 63.200 0.026 0.000 0.867 169 S HN 0.442 nan 8.310 nan 0.000 0.449 170 K N 0.653 121.057 120.400 0.008 0.000 2.181 170 K HA 0.198 4.628 4.320 0.183 0.000 0.239 170 K C 0.508 177.104 176.600 -0.007 0.000 1.073 170 K CA 0.274 56.561 56.287 -0.000 0.000 0.839 170 K CB 0.140 32.640 32.500 -0.001 0.000 1.116 170 K HN 0.214 nan 8.250 nan 0.000 0.518 171 T N -1.269 113.281 114.554 -0.008 0.000 2.930 171 T HA 0.320 4.780 4.350 0.183 0.000 0.290 171 T C 1.244 175.938 174.700 -0.009 0.000 1.052 171 T CA -0.773 61.321 62.100 -0.010 0.000 1.017 171 T CB 0.683 69.546 68.868 -0.009 0.000 1.137 171 T HN 0.457 nan 8.240 nan 0.000 0.511 172 I N 1.494 122.060 120.570 -0.007 0.000 2.614 172 I HA -0.043 4.237 4.170 0.183 0.000 0.258 172 I C 2.572 178.689 176.117 -0.001 0.000 1.189 172 I CA 1.019 62.318 61.300 -0.002 0.000 1.462 172 I CB -0.129 37.875 38.000 0.007 0.000 1.092 172 I HN 0.692 nan 8.210 nan 0.000 0.442 173 K N 0.595 120.994 120.400 -0.002 0.000 2.103 173 K HA -0.171 4.258 4.320 0.183 0.000 0.204 173 K C 1.483 178.083 176.600 -0.001 0.000 1.052 173 K CA 1.396 57.683 56.287 -0.001 0.000 0.945 173 K CB 0.095 32.594 32.500 -0.001 0.000 0.722 173 K HN 0.166 nan 8.250 nan 0.000 0.443 174 D N 0.409 120.808 120.400 -0.002 0.000 2.194 174 D HA -0.043 4.707 4.640 0.183 0.000 0.204 174 D C 1.658 177.958 176.300 -0.000 0.000 0.964 174 D CA 0.679 54.678 54.000 -0.000 0.000 0.846 174 D CB 0.142 40.942 40.800 -0.000 0.000 0.962 174 D HN 0.114 nan 8.370 nan 0.000 0.490 175 L N -0.177 121.044 121.223 -0.003 0.000 2.291 175 L HA -0.061 4.389 4.340 0.183 0.000 0.214 175 L C 2.144 179.014 176.870 -0.001 0.000 1.120 175 L CA 0.348 55.186 54.840 -0.003 0.000 0.799 175 L CB -0.005 42.047 42.059 -0.012 0.000 0.925 175 L HN -0.025 nan 8.230 nan 0.000 0.446 176 V N -0.706 119.208 119.914 -0.000 0.000 2.426 176 V HA 0.083 4.313 4.120 0.183 0.000 0.242 176 V C 1.893 177.987 176.094 0.001 0.000 1.036 176 V CA 1.647 63.947 62.300 0.000 0.000 1.044 176 V CB 0.130 31.954 31.823 0.000 0.000 0.688 176 V HN 0.657 nan 8.190 nan 0.000 0.462 177 G N -1.080 107.721 108.800 0.001 0.000 2.490 177 G HA2 -0.146 3.924 3.960 0.183 0.000 0.214 177 G HA3 -0.146 3.924 3.960 0.183 0.000 0.214 177 G C 0.942 175.843 174.900 0.001 0.000 1.151 177 G CA 0.371 45.472 45.100 0.002 0.000 0.684 177 G HN 1.329 nan 8.290 nan 0.000 0.518 178 G N -0.043 108.757 108.800 0.001 0.000 4.242 178 G HA2 0.238 4.308 3.960 0.183 0.000 0.159 178 G HA3 0.238 4.308 3.960 0.183 0.000 0.159 178 G C 0.474 175.374 174.900 -0.000 0.000 0.921 178 G CA 0.813 45.914 45.100 0.000 0.000 0.910 178 G HN 0.691 nan 8.290 nan 0.000 0.419 182 V N 2.514 122.425 119.914 -0.005 0.000 3.217 182 V HA 0.034 4.264 4.120 0.183 0.000 0.264 182 V C 2.354 178.447 176.094 -0.001 0.000 1.135 182 V CA 1.736 64.032 62.300 -0.006 0.000 1.142 182 V CB -0.379 31.439 31.823 -0.008 0.000 0.754 182 V HN 0.446 nan 8.190 nan 0.000 0.484 183 Q N 0.549 120.350 119.800 0.002 0.000 2.163 183 Q HA -0.146 4.304 4.340 0.183 0.000 0.198 183 Q C 1.987 177.993 176.000 0.010 0.000 0.954 183 Q CA 1.135 56.942 55.803 0.007 0.000 0.851 183 Q CB 0.004 28.746 28.738 0.006 0.000 0.928 183 Q HN 0.567 nan 8.270 nan 0.000 0.459 184 N N 0.897 119.601 118.700 0.007 0.000 2.309 184 N HA -0.129 4.721 4.740 0.183 0.000 0.182 184 N C 1.235 176.750 175.510 0.008 0.000 1.018 184 N CA 1.133 54.188 53.050 0.008 0.000 0.876 184 N CB 0.078 38.567 38.487 0.004 0.000 0.972 184 N HN 0.399 nan 8.380 nan 0.000 0.434 185 E N 0.256 120.458 120.200 0.003 0.000 2.060 185 E HA 0.051 4.511 4.350 0.183 0.000 0.189 185 E C 1.966 178.570 176.600 0.007 0.000 0.974 185 E CA 0.455 56.855 56.400 -0.001 0.000 0.808 185 E CB 0.019 29.712 29.700 -0.012 0.000 0.768 185 E HN 0.289 nan 8.360 nan 0.000 0.453 186 I N 1.422 122.000 120.570 0.012 0.000 2.335 186 I HA -0.275 4.005 4.170 0.183 0.000 0.251 186 I C 2.321 178.465 176.117 0.046 0.000 1.129 186 I CA 0.932 62.248 61.300 0.027 0.000 1.402 186 I CB -0.258 37.758 38.000 0.027 0.000 1.069 186 I HN 0.124 nan 8.210 nan 0.000 0.424 187 L N 0.402 121.651 121.223 0.042 0.000 2.027 187 L HA -0.104 4.346 4.340 0.183 0.000 0.206 187 L C 2.667 179.570 176.870 0.056 0.000 1.074 187 L CA 1.808 56.682 54.840 0.057 0.000 0.745 187 L CB -1.186 40.899 42.059 0.043 0.000 0.898 187 L HN 0.330 nan 8.230 nan 0.000 0.433 188 G N -0.970 107.851 108.800 0.034 0.000 2.448 188 G HA2 -0.206 3.864 3.960 0.183 0.000 0.218 188 G HA3 -0.206 3.864 3.960 0.183 0.000 0.218 188 G C 1.082 175.991 174.900 0.015 0.000 1.135 188 G CA 0.411 45.526 45.100 0.025 0.000 0.784 188 G HN 0.269 nan 8.290 nan 0.000 0.543 189 D N 0.567 120.974 120.400 0.012 0.000 2.123 189 D HA -0.017 4.733 4.640 0.183 0.000 0.200 189 D C 2.577 178.867 176.300 -0.016 0.000 0.976 189 D CA 0.388 54.384 54.000 -0.007 0.000 0.831 189 D CB -0.150 40.649 40.800 -0.002 0.000 0.974 189 D HN 0.274 nan 8.370 nan 0.000 0.469 190 L N -0.022 121.222 121.223 0.035 0.000 2.362 190 L HA 0.036 4.486 4.340 0.183 0.000 0.219 190 L C 2.358 179.258 176.870 0.051 0.000 1.134 190 L CA 0.833 55.715 54.840 0.069 0.000 0.807 190 L CB -0.436 41.732 42.059 0.182 0.000 0.927 190 L HN 0.064 nan 8.230 nan 0.000 0.447 191 G N -0.067 108.763 108.800 0.050 0.000 2.394 191 G HA2 -0.196 3.874 3.960 0.183 0.000 0.214 191 G HA3 -0.196 3.874 3.960 0.183 0.000 0.214 191 G C 1.660 176.554 174.900 -0.009 0.000 1.176 191 G CA 0.162 45.291 45.100 0.049 0.000 0.786 191 G HN 0.212 nan 8.290 nan 0.000 0.533 192 K N -0.060 120.315 120.400 -0.042 0.000 2.362 192 K HA -0.045 4.385 4.320 0.183 0.000 0.200 192 K C 2.232 178.741 176.600 -0.151 0.000 1.046 192 K CA 1.104 57.347 56.287 -0.074 0.000 0.952 192 K CB 0.124 32.585 32.500 -0.065 0.000 0.753 192 K HN 0.320 nan 8.250 nan 0.000 0.466 193 E N -0.355 119.701 120.200 -0.240 0.000 2.065 193 E HA -0.011 4.449 4.350 0.183 0.000 0.191 193 E C 1.117 177.303 176.600 -0.689 0.000 0.960 193 E CA 1.136 57.223 56.400 -0.522 0.000 0.824 193 E CB 0.061 29.335 29.700 -0.710 0.000 0.793 193 E HN 0.140 nan 8.360 nan 0.000 0.459 194 F N -1.267 118.462 119.950 -0.369 0.000 2.622 194 F HA 0.391 5.028 4.527 0.183 0.000 0.288 194 F C 1.833 177.568 175.800 -0.110 0.000 1.120 194 F CA 0.565 58.340 58.000 -0.374 0.000 1.423 194 F CB 0.710 39.165 39.000 -0.908 0.000 1.127 194 F HN 0.297 nan 8.300 nan 0.000 0.588 195 G N -0.255 108.599 108.800 0.091 0.000 2.454 195 G HA2 -0.276 3.794 3.960 0.183 0.000 0.225 195 G HA3 -0.276 3.794 3.960 0.183 0.000 0.225 195 G C 0.551 175.551 174.900 0.167 0.000 1.138 195 G CA 0.287 45.450 45.100 0.106 0.000 0.667 195 G HN 0.211 nan 8.290 nan 0.000 0.512 196 T N 3.126 117.839 114.554 0.266 0.000 2.747 196 T HA 0.525 4.985 4.350 0.183 0.000 0.301 196 T C 0.139 175.032 174.700 0.322 0.000 0.952 196 T CA 0.485 62.740 62.100 0.258 0.000 0.983 196 T CB 1.192 70.209 68.868 0.249 0.000 0.930 196 T HN 0.306 nan 8.240 nan 0.000 0.494 197 T N 7.491 122.162 114.554 0.196 0.000 2.727 197 T HA 0.261 4.721 4.350 0.183 0.000 0.295 197 T C -1.455 173.273 174.700 0.047 0.000 0.915 197 T CA -1.078 61.116 62.100 0.155 0.000 1.066 197 T CB 0.300 69.234 68.868 0.111 0.000 0.891 197 T HN 0.439 nan 8.240 nan 0.000 0.516 198 P HA 0.148 nan 4.420 nan 0.000 0.272 198 P C 0.619 177.891 177.300 -0.048 0.000 1.248 198 P CA -0.252 62.786 63.100 -0.104 0.000 0.799 198 P CB 1.171 32.731 31.700 -0.234 0.000 0.997 199 E N -0.300 119.872 120.200 -0.048 0.000 2.299 199 E HA -0.044 4.416 4.350 0.183 0.000 0.193 199 E C 0.122 176.709 176.600 -0.023 0.000 0.998 199 E CA 0.823 57.208 56.400 -0.025 0.000 0.851 199 E CB 0.082 29.768 29.700 -0.023 0.000 0.795 199 E HN 0.440 nan 8.360 nan 0.000 0.492 200 K N 0.640 121.019 120.400 -0.035 0.000 2.679 200 K HA 0.186 4.616 4.320 0.183 0.000 0.188 200 K C -2.382 174.199 176.600 -0.032 0.000 1.055 200 K CA -1.363 54.908 56.287 -0.027 0.000 1.006 200 K CB 1.694 34.178 32.500 -0.027 0.000 1.317 200 K HN -0.133 nan 8.250 nan 0.000 0.584 201 P HA -0.178 nan 4.420 nan 0.000 0.217 201 P C 0.322 177.622 177.300 -0.001 0.000 1.150 201 P CA 1.209 64.306 63.100 -0.006 0.000 0.832 201 P CB 0.305 32.026 31.700 0.035 0.000 0.787 202 E N -0.528 119.673 120.200 0.002 0.000 2.418 202 E HA -0.091 4.369 4.350 0.183 0.000 0.197 202 E C 1.453 178.050 176.600 -0.005 0.000 1.026 202 E CA 0.860 57.261 56.400 0.002 0.000 0.862 202 E CB -0.360 29.343 29.700 0.004 0.000 0.799 202 E HN 0.440 nan 8.360 nan 0.000 0.518 203 E N -0.064 120.128 120.200 -0.013 0.000 2.444 203 E HA 0.092 4.552 4.350 0.183 0.000 0.203 203 E C 0.010 176.596 176.600 -0.023 0.000 0.847 203 E CA 0.127 56.518 56.400 -0.015 0.000 1.142 203 E CB 0.444 30.135 29.700 -0.015 0.000 1.125 203 E HN -0.057 nan 8.360 nan 0.000 0.521 204 T N 5.111 119.644 114.554 -0.035 0.000 2.738 204 T HA 0.042 4.502 4.350 0.183 0.000 0.277 204 T C -2.405 172.269 174.700 -0.045 0.000 0.981 204 T CA -0.704 61.366 62.100 -0.049 0.000 1.211 204 T CB 0.206 69.026 68.868 -0.080 0.000 0.932 204 T HN -0.062 nan 8.240 nan 0.000 0.522 205 P HA 0.152 nan 4.420 nan 0.000 0.271 205 P C 1.025 178.309 177.300 -0.026 0.000 1.233 205 P CA -0.412 62.674 63.100 -0.024 0.000 0.789 205 P CB 0.582 32.272 31.700 -0.016 0.000 0.951 206 L N 0.562 121.776 121.223 -0.014 0.000 2.093 206 L HA -0.168 4.282 4.340 0.183 0.000 0.208 206 L C 2.074 178.951 176.870 0.012 0.000 1.085 206 L CA 1.744 56.580 54.840 -0.006 0.000 0.755 206 L CB -0.641 41.406 42.059 -0.020 0.000 0.904 206 L HN 0.459 nan 8.230 nan 0.000 0.435 207 E N 0.033 120.245 120.200 0.019 0.000 2.150 207 E HA -0.202 4.258 4.350 0.183 0.000 0.193 207 E C 1.867 178.466 176.600 -0.002 0.000 0.985 207 E CA 0.986 57.402 56.400 0.027 0.000 0.814 207 E CB 0.033 29.751 29.700 0.029 0.000 0.752 207 E HN 0.527 nan 8.360 nan 0.000 0.466 208 E N 0.213 120.398 120.200 -0.025 0.000 2.371 208 E HA -0.031 4.429 4.350 0.183 0.000 0.194 208 E C 1.882 178.417 176.600 -0.108 0.000 1.012 208 E CA 0.234 56.602 56.400 -0.053 0.000 0.860 208 E CB 0.226 29.896 29.700 -0.049 0.000 0.811 208 E HN 0.249 nan 8.360 nan 0.000 0.502 209 L N 0.255 121.406 121.223 -0.120 0.000 2.202 209 L HA 0.068 4.517 4.340 0.183 0.000 0.205 209 L C 2.386 179.119 176.870 -0.228 0.000 1.083 209 L CA 0.427 55.119 54.840 -0.246 0.000 0.790 209 L CB -0.067 41.885 42.059 -0.180 0.000 0.942 209 L HN 0.098 nan 8.230 nan 0.000 0.452 210 A N -0.416 122.376 122.820 -0.047 0.000 2.019 210 A HA -0.213 4.217 4.320 0.183 0.000 0.219 210 A C 2.062 179.663 177.584 0.028 0.000 1.164 210 A CA 1.390 53.450 52.037 0.038 0.000 0.644 210 A CB -0.314 18.738 19.000 0.087 0.000 0.805 210 A HN 0.420 nan 8.150 nan 0.000 0.449 211 E N -0.703 119.483 120.200 -0.023 0.000 2.017 211 E HA -0.139 4.321 4.350 0.183 0.000 0.193 211 E C 2.085 178.658 176.600 -0.045 0.000 0.997 211 E CA 1.765 58.152 56.400 -0.021 0.000 0.804 211 E CB -0.244 29.434 29.700 -0.037 0.000 0.757 211 E HN 0.622 nan 8.360 nan 0.000 0.448 212 T N 0.503 114.969 114.554 -0.148 0.000 2.788 212 T HA -0.135 4.325 4.350 0.183 0.000 0.268 212 T C 1.553 176.171 174.700 -0.135 0.000 1.044 212 T CA 1.052 63.033 62.100 -0.199 0.000 1.139 212 T CB -0.331 68.318 68.868 -0.365 0.000 0.867 212 T HN 0.159 nan 8.240 nan 0.000 0.454 213 F N 0.822 120.703 119.950 -0.114 0.000 2.367 213 F HA 0.008 4.645 4.527 0.183 0.000 0.298 213 F C 2.745 178.618 175.800 0.121 0.000 1.094 213 F CA 0.143 58.050 58.000 -0.154 0.000 1.409 213 F CB -0.044 38.528 39.000 -0.713 0.000 1.064 213 F HN 0.082 nan 8.300 nan 0.000 0.528 214 Q N 1.073 121.048 119.800 0.291 0.000 2.167 214 Q HA -0.168 4.282 4.340 0.183 0.000 0.202 214 Q C 1.328 177.418 176.000 0.151 0.000 0.970 214 Q CA 1.807 57.770 55.803 0.268 0.000 0.855 214 Q CB -0.373 28.456 28.738 0.151 0.000 0.911 214 Q HN 0.231 nan 8.270 nan 0.000 0.438 215 D N -0.518 119.955 120.400 0.121 0.000 2.123 215 D HA -0.148 4.602 4.640 0.183 0.000 0.196 215 D C 1.569 177.931 176.300 0.103 0.000 0.992 215 D CA 2.227 56.274 54.000 0.080 0.000 0.833 215 D CB -0.454 40.380 40.800 0.057 0.000 0.954 215 D HN 0.570 nan 8.370 nan 0.000 0.455 216 T N -2.498 112.164 114.554 0.181 0.000 3.060 216 T HA 0.129 4.589 4.350 0.183 0.000 0.249 216 T C 0.484 175.341 174.700 0.262 0.000 1.079 216 T CA -0.506 61.711 62.100 0.195 0.000 1.013 216 T CB -0.251 68.741 68.868 0.207 0.000 0.975 216 T HN 0.123 nan 8.240 nan 0.000 0.518 217 F N 2.543 122.587 119.950 0.156 0.000 2.492 217 F HA 0.722 5.358 4.527 0.183 0.000 0.327 217 F C -0.886 174.983 175.800 0.115 0.000 1.079 217 F CA -1.246 56.848 58.000 0.157 0.000 0.967 217 F CB 2.082 41.241 39.000 0.264 0.000 1.169 217 F HN 0.053 nan 8.300 nan 0.000 0.472 218 S N 2.637 118.166 115.700 -0.286 0.000 2.706 218 S HA 0.509 5.089 4.470 0.183 0.000 0.270 218 S C 0.121 174.641 174.600 -0.133 0.000 1.163 218 S CA -0.351 57.606 58.200 -0.404 0.000 1.042 218 S CB 0.606 63.703 63.200 -0.172 0.000 1.079 218 S HN 2.230 nan 8.310 nan 0.000 0.474 219 G N 1.816 110.536 108.800 -0.133 0.000 2.205 219 G HA2 -0.124 3.946 3.960 0.183 0.000 0.269 219 G HA3 -0.124 3.946 3.960 0.183 0.000 0.269 219 G C 0.526 175.545 174.900 0.198 0.000 0.977 219 G CA 0.210 45.360 45.100 0.084 0.000 0.652 219 G HN 1.931 nan 8.290 nan 0.000 0.539 220 A N -0.090 122.937 122.820 0.346 0.000 2.396 220 A HA 0.690 5.120 4.320 0.183 0.000 0.279 220 A C 1.351 179.010 177.584 0.125 0.000 1.165 220 A CA 0.069 52.239 52.037 0.223 0.000 0.824 220 A CB 0.316 19.449 19.000 0.221 0.000 1.100 220 A HN 0.633 nan 8.150 nan 0.000 0.516 221 L N 2.751 123.995 121.223 0.035 0.000 2.465 221 L HA 0.102 4.552 4.340 0.183 0.000 0.224 221 L C 1.452 178.234 176.870 -0.147 0.000 1.145 221 L CA 1.041 55.858 54.840 -0.038 0.000 0.834 221 L CB -0.675 41.372 42.059 -0.020 0.000 0.944 221 L HN 1.151 nan 8.230 nan 0.000 0.451 222 G N -0.074 108.628 108.800 -0.164 0.000 2.755 222 G HA2 -0.294 3.776 3.960 0.183 0.000 0.686 222 G HA3 -0.294 3.776 3.960 0.183 0.000 0.686 222 G C 0.218 175.016 174.900 -0.170 0.000 1.427 222 G CA 0.083 45.035 45.100 -0.247 0.000 0.873 222 G HN 0.159 nan 8.290 nan 0.000 0.580 223 K N -0.181 120.121 120.400 -0.164 0.000 2.031 223 K HA -0.079 4.351 4.320 0.183 0.000 0.205 223 K C 2.586 179.125 176.600 -0.101 0.000 1.049 223 K CA 1.845 58.068 56.287 -0.107 0.000 0.939 223 K CB -0.109 32.337 32.500 -0.090 0.000 0.717 223 K HN 0.457 nan 8.250 nan 0.000 0.438 224 Q N 0.187 119.908 119.800 -0.131 0.000 2.230 224 Q HA -0.044 4.406 4.340 0.183 0.000 0.202 224 Q C 1.836 177.786 176.000 -0.083 0.000 0.963 224 Q CA 1.550 57.294 55.803 -0.099 0.000 0.866 224 Q CB -0.090 28.582 28.738 -0.110 0.000 0.931 224 Q HN 0.161 nan 8.270 nan 0.000 0.452 225 S N -1.406 114.219 115.700 -0.124 0.000 2.425 225 S HA 0.028 4.608 4.470 0.183 0.000 0.225 225 S C 1.815 176.378 174.600 -0.062 0.000 1.024 225 S CA 0.926 59.069 58.200 -0.094 0.000 0.951 225 S CB -0.218 62.897 63.200 -0.143 0.000 0.796 225 S HN 0.455 nan 8.310 nan 0.000 0.498 226 S N 0.619 116.279 115.700 -0.068 0.000 2.447 226 S HA -0.011 4.569 4.470 0.183 0.000 0.233 226 S C 1.961 176.546 174.600 -0.026 0.000 1.006 226 S CA 1.041 59.215 58.200 -0.043 0.000 0.957 226 S CB -0.325 62.848 63.200 -0.044 0.000 0.773 226 S HN 0.572 nan 8.310 nan 0.000 0.507 227 S N 0.817 116.502 115.700 -0.026 0.000 2.395 227 S HA 0.186 4.766 4.470 0.183 0.000 0.225 227 S C 1.648 176.251 174.600 0.006 0.000 1.027 227 S CA 0.395 58.589 58.200 -0.011 0.000 0.965 227 S CB -0.189 63.002 63.200 -0.015 0.000 0.812 227 S HN 0.424 nan 8.310 nan 0.000 0.482 228 L N 0.903 122.134 121.223 0.013 0.000 2.217 228 L HA 0.087 4.537 4.340 0.183 0.000 0.211 228 L C 2.013 178.896 176.870 0.021 0.000 1.107 228 L CA 0.691 55.559 54.840 0.047 0.000 0.783 228 L CB -0.234 41.871 42.059 0.076 0.000 0.919 228 L HN 0.338 nan 8.230 nan 0.000 0.442 229 L N -1.854 119.370 121.223 0.001 0.000 2.209 229 L HA -0.037 4.413 4.340 0.183 0.000 0.207 229 L C 2.397 179.275 176.870 0.013 0.000 1.094 229 L CA 0.530 55.370 54.840 0.000 0.000 0.790 229 L CB -0.196 41.858 42.059 -0.008 0.000 0.932 229 L HN 0.092 nan 8.230 nan 0.000 0.447 230 S N -0.593 115.113 115.700 0.011 0.000 2.496 230 S HA -0.044 4.535 4.470 0.183 0.000 0.224 230 S C 1.980 176.590 174.600 0.016 0.000 0.996 230 S CA 0.504 58.712 58.200 0.014 0.000 0.927 230 S CB 0.009 63.213 63.200 0.007 0.000 0.774 230 S HN 0.310 nan 8.310 nan 0.000 0.524 231 R N 0.809 121.320 120.500 0.018 0.000 2.119 231 R HA 0.070 4.520 4.340 0.183 0.000 0.222 231 R C 2.193 178.506 176.300 0.021 0.000 1.088 231 R CA 0.784 56.897 56.100 0.021 0.000 0.984 231 R CB -0.234 30.084 30.300 0.031 0.000 0.884 231 R HN 0.366 nan 8.270 nan 0.000 0.447 232 L N 0.572 121.809 121.223 0.023 0.000 2.156 232 L HA -0.021 4.429 4.340 0.183 0.000 0.208 232 L C 1.797 178.673 176.870 0.008 0.000 1.095 232 L CA 1.434 56.282 54.840 0.013 0.000 0.770 232 L CB -0.173 41.894 42.059 0.013 0.000 0.914 232 L HN 0.155 nan 8.230 nan 0.000 0.439 233 I N -0.786 119.801 120.570 0.028 0.000 2.439 233 I HA -0.154 4.126 4.170 0.183 0.000 0.251 233 I C 2.534 178.671 176.117 0.034 0.000 1.139 233 I CA 1.462 62.791 61.300 0.048 0.000 1.438 233 I CB -0.881 37.159 38.000 0.066 0.000 1.085 233 I HN 0.444 nan 8.210 nan 0.000 0.427 234 S N 0.576 116.287 115.700 0.019 0.000 2.377 234 S HA -0.085 4.495 4.470 0.183 0.000 0.223 234 S C 2.089 176.688 174.600 -0.002 0.000 1.030 234 S CA 1.657 59.865 58.200 0.013 0.000 0.970 234 S CB 0.010 63.216 63.200 0.010 0.000 0.830 234 S HN 0.554 nan 8.310 nan 0.000 0.473 235 S N -0.672 115.021 115.700 -0.012 0.000 2.503 235 S HA 0.350 4.930 4.470 0.183 0.000 0.215 235 S C 1.421 175.990 174.600 -0.052 0.000 1.003 235 S CA -0.139 58.046 58.200 -0.026 0.000 0.910 235 S CB -0.032 63.156 63.200 -0.020 0.000 0.790 235 S HN 0.301 nan 8.310 nan 0.000 0.514 236 K N -0.308 120.050 120.400 -0.070 0.000 2.380 236 K HA 0.491 4.921 4.320 0.183 0.000 0.198 236 K C -0.122 176.375 176.600 -0.172 0.000 1.070 236 K CA 0.047 56.253 56.287 -0.135 0.000 1.040 236 K CB 0.304 32.700 32.500 -0.174 0.000 0.903 236 K HN 0.244 nan 8.250 nan 0.000 0.549 237 M N 1.320 120.858 119.600 -0.104 0.000 2.318 237 M HA 0.304 4.893 4.480 0.183 0.000 0.347 237 M C -2.455 173.808 176.300 -0.062 0.000 1.175 237 M CA -2.784 52.450 55.300 -0.109 0.000 1.075 237 M CB 0.976 33.593 32.600 0.028 0.000 1.614 237 M HN -0.203 nan 8.290 nan 0.000 0.456 238 P HA 0.163 nan 4.420 nan 0.000 0.271 238 P C -0.359 176.966 177.300 0.040 0.000 1.233 238 P CA -0.283 62.790 63.100 -0.046 0.000 0.789 238 P CB 0.220 31.872 31.700 -0.080 0.000 0.951 239 G N 0.435 109.251 108.800 0.027 0.000 2.150 239 G HA2 0.255 4.325 3.960 0.183 0.000 0.250 239 G HA3 0.255 4.325 3.960 0.183 0.000 0.250 239 G C 1.117 176.059 174.900 0.069 0.000 1.179 239 G CA 0.440 45.563 45.100 0.038 0.000 0.934 239 G HN 0.887 nan 8.290 nan 0.000 0.453 240 G N 2.145 110.984 108.800 0.066 0.000 2.268 240 G HA2 -0.274 3.796 3.960 0.183 0.000 0.240 240 G HA3 -0.274 3.796 3.960 0.183 0.000 0.240 240 G C 0.478 175.416 174.900 0.064 0.000 1.010 240 G CA 0.239 45.371 45.100 0.053 0.000 0.618 240 G HN 0.919 nan 8.290 nan 0.000 0.516 241 F N 4.348 124.285 119.950 -0.023 0.000 2.556 241 F HA 0.462 5.099 4.527 0.184 0.000 0.344 241 F C 1.320 177.110 175.800 -0.017 0.000 1.255 241 F CA 0.774 58.759 58.000 -0.025 0.000 1.091 241 F CB 0.201 39.176 39.000 -0.041 0.000 1.325 241 F HN 0.119 nan 8.300 nan 0.000 0.627 242 T N 5.269 119.779 114.554 -0.073 0.000 2.770 242 T HA 0.122 4.582 4.350 0.183 0.000 0.281 242 T C 1.742 176.446 174.700 0.007 0.000 0.981 242 T CA -0.621 61.468 62.100 -0.018 0.000 0.955 242 T CB 1.214 70.048 68.868 -0.056 0.000 1.060 242 T HN 0.616 nan 8.240 nan 0.000 0.531 243 I N 0.016 120.600 120.570 0.022 0.000 2.676 243 I HA -0.149 4.131 4.170 0.183 0.000 0.259 243 I C 2.196 178.307 176.117 -0.010 0.000 1.194 243 I CA 1.085 62.402 61.300 0.028 0.000 1.473 243 I CB -0.090 37.924 38.000 0.023 0.000 1.096 243 I HN 0.663 nan 8.210 nan 0.000 0.443 244 T N 0.055 114.585 114.554 -0.040 0.000 2.668 244 T HA -0.137 4.323 4.350 0.183 0.000 0.262 244 T C 1.869 176.508 174.700 -0.102 0.000 1.045 244 T CA 1.595 63.661 62.100 -0.057 0.000 1.152 244 T CB -0.152 68.683 68.868 -0.055 0.000 0.864 244 T HN 0.136 nan 8.240 nan 0.000 0.419 245 V N 1.620 121.415 119.914 -0.199 0.000 2.407 245 V HA -0.143 4.087 4.120 0.183 0.000 0.248 245 V C 2.720 178.597 176.094 -0.362 0.000 1.055 245 V CA 1.688 63.776 62.300 -0.353 0.000 1.049 245 V CB -0.945 30.507 31.823 -0.619 0.000 0.662 245 V HN 0.531 nan 8.190 nan 0.000 0.455 246 A N -0.572 122.099 122.820 -0.248 0.000 2.067 246 A HA -0.133 4.297 4.320 0.183 0.000 0.219 246 A C 2.332 179.986 177.584 0.115 0.000 1.158 246 A CA 1.201 53.293 52.037 0.093 0.000 0.661 246 A CB -0.326 18.864 19.000 0.316 0.000 0.801 246 A HN 0.540 nan 8.150 nan 0.000 0.452 247 R N -0.709 119.812 120.500 0.035 0.000 2.112 247 R HA 0.079 4.529 4.340 0.183 0.000 0.216 247 R C 1.800 178.120 176.300 0.032 0.000 1.080 247 R CA 0.952 57.071 56.100 0.031 0.000 0.996 247 R CB -0.169 30.134 30.300 0.004 0.000 0.902 247 R HN 0.363 nan 8.270 nan 0.000 0.449 248 K N -0.096 120.313 120.400 0.015 0.000 2.362 248 K HA -0.149 4.280 4.320 0.183 0.000 0.200 248 K C 1.557 178.192 176.600 0.059 0.000 1.046 248 K CA 0.992 57.288 56.287 0.016 0.000 0.952 248 K CB 0.039 32.532 32.500 -0.011 0.000 0.753 248 K HN 0.159 nan 8.250 nan 0.000 0.466 249 Y N 0.620 120.909 120.300 -0.018 0.000 2.231 249 Y HA -0.014 4.646 4.550 0.183 0.000 0.294 249 Y C 1.573 177.506 175.900 0.055 0.000 1.120 249 Y CA 0.913 59.033 58.100 0.034 0.000 1.141 249 Y CB 0.032 38.539 38.460 0.078 0.000 1.022 249 Y HN -0.119 nan 8.280 nan 0.000 0.523 250 L N 0.427 121.708 121.223 0.096 0.000 2.261 250 L HA -0.235 4.215 4.340 0.183 0.000 0.216 250 L C 2.366 179.243 176.870 0.013 0.000 1.114 250 L CA 1.771 56.620 54.840 0.015 0.000 0.777 250 L CB -0.323 41.754 42.059 0.029 0.000 0.910 250 L HN 0.422 nan 8.230 nan 0.000 0.440 251 Q N -1.306 118.491 119.800 -0.004 0.000 2.324 251 Q HA -0.083 4.366 4.340 0.183 0.000 0.207 251 Q C 2.050 178.041 176.000 -0.015 0.000 0.928 251 Q CA 0.968 56.773 55.803 0.003 0.000 0.890 251 Q CB 0.395 29.135 28.738 0.003 0.000 1.001 251 Q HN 0.276 nan 8.270 nan 0.000 0.517 252 T N 0.635 115.162 114.554 -0.045 0.000 2.668 252 T HA -0.164 4.296 4.350 0.183 0.000 0.262 252 T C 1.703 176.359 174.700 -0.073 0.000 1.045 252 T CA 1.828 63.896 62.100 -0.053 0.000 1.152 252 T CB -0.120 68.721 68.868 -0.044 0.000 0.864 252 T HN 0.200 nan 8.240 nan 0.000 0.419 253 R N -1.103 119.298 120.500 -0.164 0.000 2.254 253 R HA 0.084 4.534 4.340 0.183 0.000 0.195 253 R C 0.645 177.041 176.300 0.160 0.000 0.957 253 R CA 0.698 56.745 56.100 -0.088 0.000 1.024 253 R CB -0.103 30.005 30.300 -0.320 0.000 0.952 253 R HN 0.383 nan 8.270 nan 0.000 0.484 254 W N -0.251 120.910 121.300 -0.231 0.000 2.304 254 W HA 0.487 5.257 4.660 0.183 0.000 0.326 254 W C 0.226 176.702 176.519 -0.073 0.000 0.920 254 W CA -0.338 56.932 57.345 -0.124 0.000 1.518 254 W CB 0.526 29.925 29.460 -0.101 0.000 1.112 254 W HN 0.210 nan 8.180 nan 0.000 0.528 255 G N 2.397 111.240 108.800 0.071 0.000 2.372 255 G HA2 -0.266 3.804 3.960 0.183 0.000 0.290 255 G HA3 -0.266 3.804 3.960 0.183 0.000 0.290 255 G C -0.593 174.341 174.900 0.056 0.000 0.965 255 G CA 0.095 45.215 45.100 0.033 0.000 1.263 255 G HN 0.209 nan 8.290 nan 0.000 0.498 256 L N 1.438 122.694 121.223 0.055 0.000 2.356 256 L HA 0.480 4.930 4.340 0.183 0.000 0.277 256 L C -1.928 174.954 176.870 0.020 0.000 0.996 256 L CA -2.407 52.460 54.840 0.044 0.000 0.822 256 L CB 2.520 44.597 42.059 0.031 0.000 1.256 256 L HN 0.066 nan 8.230 nan 0.000 0.413 257 P HA 0.161 nan 4.420 nan 0.000 0.289 257 P C 0.653 177.957 177.300 0.007 0.000 1.299 257 P CA -0.519 62.590 63.100 0.015 0.000 0.766 257 P CB 0.727 32.441 31.700 0.023 0.000 1.226 258 S N -0.261 115.444 115.700 0.008 0.000 2.377 258 S HA -0.172 4.408 4.470 0.183 0.000 0.224 258 S C 2.062 176.665 174.600 0.005 0.000 1.042 258 S CA 2.290 60.493 58.200 0.006 0.000 1.086 258 S CB -1.615 61.591 63.200 0.010 0.000 0.995 258 S HN 0.622 nan 8.310 nan 0.000 0.428 259 G N 0.472 109.283 108.800 0.018 0.000 2.712 259 G HA2 0.020 4.090 3.960 0.183 0.000 0.212 259 G HA3 0.020 4.090 3.960 0.183 0.000 0.212 259 G C 1.580 176.496 174.900 0.028 0.000 1.142 259 G CA -0.109 45.010 45.100 0.031 0.000 0.789 259 G HN 0.386 nan 8.290 nan 0.000 0.535 260 R N 0.487 120.995 120.500 0.012 0.000 2.127 260 R HA -0.009 4.441 4.340 0.183 0.000 0.217 260 R C 2.578 178.724 176.300 -0.257 0.000 1.074 260 R CA 1.097 57.184 56.100 -0.022 0.000 0.991 260 R CB -0.335 30.009 30.300 0.073 0.000 0.895 260 R HN 0.700 nan 8.270 nan 0.000 0.450 261 Q N 0.146 119.856 119.800 -0.150 0.000 2.435 261 Q HA -0.041 4.409 4.340 0.183 0.000 0.207 261 Q C 0.312 176.217 176.000 -0.157 0.000 0.956 261 Q CA 0.945 56.647 55.803 -0.168 0.000 0.917 261 Q CB 0.112 28.807 28.738 -0.073 0.000 0.997 261 Q HN 0.024 nan 8.270 nan 0.000 0.497 262 D N 1.416 121.748 120.400 -0.112 0.000 2.224 262 D HA -0.040 4.710 4.640 0.183 0.000 0.205 262 D C 1.893 178.142 176.300 -0.086 0.000 0.965 262 D CA 1.378 55.339 54.000 -0.064 0.000 0.852 262 D CB -0.203 40.596 40.800 -0.001 0.000 0.947 262 D HN 0.491 nan 8.370 nan 0.000 0.494 263 G N 0.140 108.828 108.800 -0.186 0.000 2.408 263 G HA2 -0.126 3.944 3.960 0.183 0.000 0.215 263 G HA3 -0.126 3.944 3.960 0.183 0.000 0.215 263 G C 1.736 176.458 174.900 -0.297 0.000 1.156 263 G CA 0.264 45.267 45.100 -0.162 0.000 0.793 263 G HN 0.216 nan 8.290 nan 0.000 0.535 264 V N 1.040 120.624 119.914 -0.550 0.000 2.548 264 V HA -0.016 4.214 4.120 0.183 0.000 0.249 264 V C 2.769 178.756 176.094 -0.178 0.000 1.055 264 V CA 0.932 63.022 62.300 -0.349 0.000 1.065 264 V CB -0.228 31.385 31.823 -0.351 0.000 0.681 264 V HN 0.311 nan 8.190 nan 0.000 0.462 265 L N -0.972 120.170 121.223 -0.134 0.000 2.156 265 L HA -0.073 4.377 4.340 0.183 0.000 0.208 265 L C 2.296 179.139 176.870 -0.045 0.000 1.095 265 L CA 1.319 56.120 54.840 -0.065 0.000 0.770 265 L CB -0.378 41.656 42.059 -0.040 0.000 0.914 265 L HN 0.320 nan 8.230 nan 0.000 0.439 266 L N -0.876 120.322 121.223 -0.041 0.000 2.217 266 L HA -0.116 4.334 4.340 0.183 0.000 0.211 266 L C 2.339 179.205 176.870 -0.006 0.000 1.107 266 L CA 0.434 55.264 54.840 -0.016 0.000 0.783 266 L CB -0.085 41.984 42.059 0.017 0.000 0.919 266 L HN 0.056 nan 8.230 nan 0.000 0.442 267 V N -0.481 119.432 119.914 -0.001 0.000 2.591 267 V HA -0.111 4.119 4.120 0.183 0.000 0.249 267 V C 2.543 178.621 176.094 -0.027 0.000 1.053 267 V CA 1.405 63.709 62.300 0.007 0.000 1.068 267 V CB -0.517 31.331 31.823 0.042 0.000 0.689 267 V HN 0.429 nan 8.190 nan 0.000 0.462 268 A N -0.040 122.747 122.820 -0.054 0.000 2.066 268 A HA -0.064 4.366 4.320 0.183 0.000 0.218 268 A C 2.056 179.687 177.584 0.079 0.000 1.157 268 A CA 1.303 53.339 52.037 -0.002 0.000 0.670 268 A CB -0.337 18.639 19.000 -0.040 0.000 0.804 268 A HN 0.455 nan 8.150 nan 0.000 0.453 269 L N 0.471 121.682 121.223 -0.020 0.000 2.240 269 L HA -0.024 4.426 4.340 0.183 0.000 0.211 269 L C 2.422 179.156 176.870 -0.227 0.000 1.106 269 L CA 2.414 57.177 54.840 -0.129 0.000 0.793 269 L CB -0.437 41.520 42.059 -0.170 0.000 0.927 269 L HN 0.409 nan 8.230 nan 0.000 0.446 270 S N -1.858 113.781 115.700 -0.102 0.000 2.470 270 S HA 0.041 4.621 4.470 0.183 0.000 0.225 270 S C 1.311 175.924 174.600 0.021 0.000 1.006 270 S CA 0.351 58.524 58.200 -0.046 0.000 0.934 270 S CB -0.440 62.774 63.200 0.023 0.000 0.778 270 S HN 0.509 nan 8.310 nan 0.000 0.517 271 N N 2.649 121.379 118.700 0.050 0.000 2.321 271 N HA 0.138 4.988 4.740 0.183 0.000 0.242 271 N C -0.535 175.068 175.510 0.155 0.000 1.141 271 N CA -0.017 53.096 53.050 0.106 0.000 0.864 271 N CB 0.444 39.001 38.487 0.117 0.000 1.100 271 N HN 0.814 nan 8.380 nan 0.000 0.510 272 E N 1.086 121.337 120.200 0.084 0.000 2.415 272 E HA 0.151 4.611 4.350 0.183 0.000 0.263 272 E C -2.286 174.289 176.600 -0.041 0.000 0.995 272 E CA -1.327 55.093 56.400 0.032 0.000 0.915 272 E CB 0.169 29.872 29.700 0.006 0.000 0.951 272 E HN -0.040 nan 8.360 nan 0.000 0.449 273 P HA -0.013 nan 4.420 nan 0.000 0.265 273 P C -0.273 176.956 177.300 -0.117 0.000 1.193 273 P CA 0.048 63.024 63.100 -0.207 0.000 0.765 273 P CB 1.018 32.483 31.700 -0.393 0.000 0.823 274 A N 1.792 124.566 122.820 -0.077 0.000 2.259 274 A HA 0.484 4.914 4.320 0.183 0.000 0.208 274 A C 0.762 178.310 177.584 -0.060 0.000 1.201 274 A CA 0.838 52.846 52.037 -0.049 0.000 0.824 274 A CB -0.564 18.420 19.000 -0.027 0.000 0.838 274 A HN 0.646 nan 8.150 nan 0.000 0.485 275 A N -0.627 122.139 122.820 -0.090 0.000 2.606 275 A HA 0.647 5.077 4.320 0.183 0.000 0.293 275 A C -0.234 177.275 177.584 -0.125 0.000 1.082 275 A CA -0.776 51.208 52.037 -0.088 0.000 0.685 275 A CB 0.585 19.540 19.000 -0.075 0.000 1.284 275 A HN 0.365 nan 8.150 nan 0.000 0.408 276 R N 1.393 121.829 120.500 -0.107 0.000 2.442 276 R HA 0.411 4.861 4.340 0.183 0.000 0.291 276 R C -0.685 175.528 176.300 -0.146 0.000 1.069 276 R CA -0.320 55.703 56.100 -0.128 0.000 1.022 276 R CB -0.047 30.199 30.300 -0.090 0.000 0.976 276 R HN 0.636 nan 8.270 nan 0.000 0.443 277 L N 4.249 125.350 121.223 -0.202 0.000 2.485 277 L HA 0.069 4.519 4.340 0.183 0.000 0.275 277 L C 1.598 178.380 176.870 -0.146 0.000 1.207 277 L CA 0.191 54.910 54.840 -0.201 0.000 0.855 277 L CB 0.614 42.501 42.059 -0.286 0.000 1.114 277 L HN 0.965 nan 8.230 nan 0.000 0.485 278 G N 1.660 110.391 108.800 -0.115 0.000 2.508 278 G HA2 -0.038 4.032 3.960 0.183 0.000 0.212 278 G HA3 -0.038 4.032 3.960 0.183 0.000 0.212 278 G C 0.570 175.425 174.900 -0.076 0.000 1.206 278 G CA -0.089 44.962 45.100 -0.081 0.000 0.822 278 G HN 0.560 nan 8.290 nan 0.000 0.550 279 S N 0.426 116.079 115.700 -0.077 0.000 2.585 279 S HA 0.132 4.711 4.470 0.183 0.000 0.273 279 S C 1.228 175.769 174.600 -0.098 0.000 1.339 279 S CA -0.309 57.852 58.200 -0.064 0.000 1.028 279 S CB 1.845 65.014 63.200 -0.052 0.000 0.906 279 S HN 0.512 nan 8.310 nan 0.000 0.528 280 E N 1.424 121.590 120.200 -0.056 0.000 2.274 280 E HA -0.120 4.340 4.350 0.183 0.000 0.194 280 E C 1.667 178.204 176.600 -0.105 0.000 0.996 280 E CA 0.837 57.204 56.400 -0.056 0.000 0.840 280 E CB -0.076 29.673 29.700 0.082 0.000 0.772 280 E HN 0.716 nan 8.360 nan 0.000 0.491 281 A N 0.856 123.634 122.820 -0.070 0.000 2.021 281 A HA -0.083 4.347 4.320 0.183 0.000 0.216 281 A C 1.660 179.189 177.584 -0.093 0.000 1.163 281 A CA 1.017 53.017 52.037 -0.063 0.000 0.676 281 A CB -0.043 18.947 19.000 -0.016 0.000 0.818 281 A HN 0.152 nan 8.150 nan 0.000 0.453 282 D N 0.174 120.508 120.400 -0.108 0.000 2.183 282 D HA 0.034 4.784 4.640 0.183 0.000 0.203 282 D C 2.116 178.320 176.300 -0.161 0.000 0.969 282 D CA 1.321 55.256 54.000 -0.109 0.000 0.842 282 D CB -0.154 40.582 40.800 -0.107 0.000 0.957 282 D HN 0.400 nan 8.370 nan 0.000 0.484 283 A N 0.550 123.191 122.820 -0.297 0.000 1.970 283 A HA -0.096 4.334 4.320 0.183 0.000 0.216 283 A C 2.022 179.319 177.584 -0.479 0.000 1.170 283 A CA 0.883 52.631 52.037 -0.482 0.000 0.645 283 A CB -0.111 18.317 19.000 -0.953 0.000 0.816 283 A HN 0.069 nan 8.150 nan 0.000 0.447 284 K N -0.242 119.892 120.400 -0.444 0.000 2.062 284 K HA 0.019 4.449 4.320 0.183 0.000 0.205 284 K C 2.232 178.674 176.600 -0.264 0.000 1.051 284 K CA 1.012 56.979 56.287 -0.533 0.000 0.941 284 K CB -0.237 31.973 32.500 -0.484 0.000 0.719 284 K HN 0.406 nan 8.250 nan 0.000 0.440 285 A N 0.861 123.607 122.820 -0.124 0.000 2.015 285 A HA -0.143 4.287 4.320 0.183 0.000 0.219 285 A C 1.895 179.453 177.584 -0.042 0.000 1.163 285 A CA 0.896 52.909 52.037 -0.041 0.000 0.646 285 A CB -0.530 18.469 19.000 -0.003 0.000 0.806 285 A HN 0.363 nan 8.150 nan 0.000 0.448 286 F N 0.445 120.282 119.950 -0.188 0.000 2.113 286 F HA -0.049 4.588 4.527 0.183 0.000 0.297 286 F C 1.732 177.420 175.800 -0.188 0.000 1.103 286 F CA 1.486 59.381 58.000 -0.174 0.000 1.248 286 F CB -0.303 38.581 39.000 -0.193 0.000 0.999 286 F HN 0.118 nan 8.300 nan 0.000 0.475 287 L N 0.117 121.119 121.223 -0.368 0.000 2.191 287 L HA -0.194 4.256 4.340 0.183 0.000 0.212 287 L C 2.011 178.563 176.870 -0.529 0.000 1.103 287 L CA 1.059 55.644 54.840 -0.425 0.000 0.769 287 L CB -0.768 41.201 42.059 -0.150 0.000 0.908 287 L HN 0.114 nan 8.230 nan 0.000 0.438 288 D N -0.321 119.778 120.400 -0.501 0.000 2.077 288 D HA -0.160 4.590 4.640 0.183 0.000 0.193 288 D C 2.367 178.291 176.300 -0.627 0.000 0.989 288 D CA 1.899 55.423 54.000 -0.794 0.000 0.831 288 D CB -0.286 40.354 40.800 -0.267 0.000 0.979 288 D HN 0.282 nan 8.370 nan 0.000 0.449 289 S N -0.179 115.341 115.700 -0.301 0.000 2.442 289 S HA -0.098 4.482 4.470 0.183 0.000 0.236 289 S C 1.829 176.304 174.600 -0.208 0.000 1.007 289 S CA 0.687 58.792 58.200 -0.159 0.000 0.965 289 S CB -0.159 62.993 63.200 -0.079 0.000 0.773 289 S HN 0.086 nan 8.310 nan 0.000 0.504 290 M N 1.485 120.855 119.600 -0.384 0.000 2.349 290 M HA 0.293 4.883 4.480 0.183 0.000 0.266 290 M C 2.353 178.542 176.300 -0.185 0.000 1.076 290 M CA 1.021 56.113 55.300 -0.346 0.000 1.126 290 M CB -1.595 30.648 32.600 -0.595 0.000 1.392 290 M HN 0.527 nan 8.290 nan 0.000 0.440 291 A N -0.886 121.789 122.820 -0.241 0.000 2.169 291 A HA -0.017 4.413 4.320 0.183 0.000 0.212 291 A C 2.031 179.778 177.584 0.272 0.000 1.153 291 A CA 0.647 52.668 52.037 -0.027 0.000 0.756 291 A CB -0.260 18.640 19.000 -0.166 0.000 0.813 291 A HN 0.527 nan 8.150 nan 0.000 0.471 292 Q N -0.816 119.109 119.800 0.209 0.000 2.396 292 Q HA 0.089 4.538 4.340 0.183 0.000 0.209 292 Q C 1.435 177.518 176.000 0.139 0.000 0.906 292 Q CA 0.356 56.325 55.803 0.277 0.000 0.927 292 Q CB 0.200 29.134 28.738 0.325 0.000 1.069 292 Q HN 0.590 nan 8.270 nan 0.000 0.523 293 K N -0.375 120.077 120.400 0.087 0.000 2.243 293 K HA -0.106 4.323 4.320 0.183 0.000 0.201 293 K C 1.636 178.283 176.600 0.079 0.000 1.051 293 K CA 0.649 56.968 56.287 0.054 0.000 0.970 293 K CB 0.105 32.615 32.500 0.018 0.000 0.755 293 K HN 0.171 nan 8.250 nan 0.000 0.465 294 Y N 1.117 121.416 120.300 -0.001 0.000 2.337 294 Y HA -0.061 4.599 4.550 0.183 0.000 0.293 294 Y C 2.040 177.961 175.900 0.034 0.000 1.123 294 Y CA 0.958 59.064 58.100 0.010 0.000 1.201 294 Y CB -0.127 38.338 38.460 0.009 0.000 1.011 294 Y HN -0.018 nan 8.280 nan 0.000 0.545 295 A N -0.092 122.769 122.820 0.068 0.000 1.933 295 A HA -0.173 4.257 4.320 0.183 0.000 0.218 295 A C 2.183 179.711 177.584 -0.094 0.000 1.175 295 A CA 2.006 54.037 52.037 -0.009 0.000 0.628 295 A CB -1.096 17.986 19.000 0.136 0.000 0.814 295 A HN 0.546 nan 8.150 nan 0.000 0.444 296 S N -1.460 114.207 115.700 -0.055 0.000 2.577 296 S HA 0.359 4.939 4.470 0.183 0.000 0.219 296 S C 1.119 175.669 174.600 -0.084 0.000 0.962 296 S CA 0.110 58.275 58.200 -0.058 0.000 0.921 296 S CB -0.158 63.031 63.200 -0.019 0.000 0.789 296 S HN 0.463 nan 8.310 nan 0.000 0.497 297 I N 0.310 120.800 120.570 -0.133 0.000 4.035 297 I HA 0.152 4.432 4.170 0.183 0.000 0.321 297 I C 1.204 177.208 176.117 -0.189 0.000 1.289 297 I CA 0.315 61.536 61.300 -0.133 0.000 1.236 297 I CB 0.657 38.599 38.000 -0.097 0.000 1.076 297 I HN 0.187 nan 8.210 nan 0.000 0.418 298 V N 0.040 119.763 119.914 -0.318 0.000 3.379 298 V HA 0.329 4.559 4.120 0.183 0.000 0.249 298 V C 1.446 177.424 176.094 -0.194 0.000 1.184 298 V CA 0.907 63.016 62.300 -0.317 0.000 1.106 298 V CB 0.375 31.827 31.823 -0.619 0.000 0.826 298 V HN 0.555 nan 8.190 nan 0.000 0.465 299 G N 0.974 109.671 108.800 -0.172 0.000 2.131 299 G HA2 -0.176 3.894 3.960 0.183 0.000 0.201 299 G HA3 -0.176 3.894 3.960 0.183 0.000 0.201 299 G C -0.026 174.828 174.900 -0.077 0.000 1.000 299 G CA 0.035 45.076 45.100 -0.098 0.000 0.680 299 G HN 0.469 nan 8.290 nan 0.000 0.514 300 V N -0.380 119.480 119.914 -0.090 0.000 2.732 300 V HA 0.804 5.034 4.120 0.183 0.000 0.310 300 V C 0.163 176.245 176.094 -0.020 0.000 1.053 300 V CA -0.959 61.316 62.300 -0.042 0.000 0.957 300 V CB 1.990 33.804 31.823 -0.014 0.000 1.018 300 V HN 0.209 nan 8.190 nan 0.000 0.452 301 D N 0.728 121.116 120.400 -0.020 0.000 2.449 301 D HA 0.774 5.524 4.640 0.183 0.000 0.250 301 D C -0.684 175.582 176.300 -0.055 0.000 1.050 301 D CA -0.293 53.689 54.000 -0.031 0.000 1.024 301 D CB 1.926 42.702 40.800 -0.040 0.000 1.218 301 D HN 0.397 nan 8.370 nan 0.000 0.566 329 E N 1.151 121.359 120.200 0.013 0.000 2.285 329 E HA -0.119 4.341 4.350 0.183 0.000 0.194 329 E C 1.492 178.101 176.600 0.014 0.000 0.997 329 E CA 0.946 57.353 56.400 0.011 0.000 0.845 329 E CB 0.230 29.934 29.700 0.007 0.000 0.782 329 E HN 0.524 nan 8.360 nan 0.000 0.491 330 E N 1.488 121.698 120.200 0.017 0.000 2.274 330 E HA -0.144 4.316 4.350 0.183 0.000 0.194 330 E C 1.974 178.590 176.600 0.027 0.000 0.996 330 E CA 0.318 56.730 56.400 0.021 0.000 0.840 330 E CB 0.106 29.819 29.700 0.022 0.000 0.772 330 E HN 0.325 nan 8.360 nan 0.000 0.491 331 I N 1.226 121.813 120.570 0.028 0.000 2.233 331 I HA -0.234 4.045 4.170 0.183 0.000 0.243 331 I C 2.630 178.781 176.117 0.056 0.000 1.093 331 I CA 1.898 63.220 61.300 0.037 0.000 1.380 331 I CB -0.510 37.510 38.000 0.033 0.000 1.067 331 I HN 0.192 nan 8.210 nan 0.000 0.413 332 T N -0.868 113.715 114.554 0.048 0.000 2.788 332 T HA -0.227 4.232 4.350 0.183 0.000 0.268 332 T C 1.855 176.581 174.700 0.043 0.000 1.044 332 T CA 1.494 63.623 62.100 0.049 0.000 1.139 332 T CB -0.410 68.466 68.868 0.014 0.000 0.867 332 T HN 0.387 nan 8.240 nan 0.000 0.454 333 K N 0.648 121.066 120.400 0.031 0.000 2.103 333 K HA -0.116 4.314 4.320 0.183 0.000 0.207 333 K C 2.229 178.853 176.600 0.041 0.000 1.048 333 K CA 1.628 57.930 56.287 0.024 0.000 0.930 333 K CB -0.255 32.255 32.500 0.016 0.000 0.716 333 K HN 0.333 nan 8.250 nan 0.000 0.444 334 D N -0.121 120.312 120.400 0.056 0.000 2.149 334 D HA -0.134 4.616 4.640 0.183 0.000 0.201 334 D C 1.732 178.096 176.300 0.107 0.000 0.972 334 D CA 1.000 55.036 54.000 0.060 0.000 0.835 334 D CB 0.062 40.888 40.800 0.043 0.000 0.966 334 D HN 0.350 nan 8.370 nan 0.000 0.476 335 H N -0.069 119.001 119.070 -0.000 0.000 2.333 335 H HA 0.022 4.688 4.556 0.184 0.000 0.302 335 H C 1.916 177.243 175.328 -0.001 0.000 1.075 335 H CA 0.910 56.958 56.048 -0.001 0.000 1.348 335 H CB 0.357 30.118 29.762 -0.001 0.000 1.393 335 H HN -0.058 nan 8.280 nan 0.000 0.509 336 K N 0.146 120.574 120.400 0.048 0.000 2.103 336 K HA -0.123 4.307 4.320 0.183 0.000 0.207 336 K C 2.166 178.778 176.600 0.021 0.000 1.048 336 K CA 1.301 57.562 56.287 -0.044 0.000 0.930 336 K CB 0.056 32.522 32.500 -0.057 0.000 0.716 336 K HN 0.130 nan 8.250 nan 0.000 0.444 337 V N 1.852 121.793 119.914 0.045 0.000 2.252 337 V HA -0.295 3.935 4.120 0.183 0.000 0.249 337 V C 2.212 178.338 176.094 0.053 0.000 1.056 337 V CA 1.870 64.193 62.300 0.038 0.000 1.022 337 V CB -0.643 31.202 31.823 0.036 0.000 0.641 337 V HN 0.325 nan 8.190 nan 0.000 0.445 338 L N 1.403 122.680 121.223 0.090 0.000 1.990 338 L HA -0.181 4.268 4.340 0.183 0.000 0.213 338 L C 2.426 179.350 176.870 0.089 0.000 1.072 338 L CA 2.724 57.620 54.840 0.094 0.000 0.755 338 L CB -1.249 40.883 42.059 0.122 0.000 0.889 338 L HN 0.209 nan 8.230 nan 0.000 0.432 339 A N -0.540 122.347 122.820 0.111 0.000 1.902 339 A HA -0.242 4.188 4.320 0.183 0.000 0.217 339 A C 2.428 180.029 177.584 0.029 0.000 1.181 339 A CA 1.781 53.854 52.037 0.060 0.000 0.623 339 A CB -0.699 18.306 19.000 0.009 0.000 0.818 339 A HN 0.509 nan 8.150 nan 0.000 0.443 340 R N 0.036 120.548 120.500 0.020 0.000 2.105 340 R HA -0.137 4.313 4.340 0.183 0.000 0.239 340 R C 2.120 178.431 176.300 0.017 0.000 1.135 340 R CA 2.166 58.273 56.100 0.012 0.000 0.967 340 R CB -0.727 29.578 30.300 0.007 0.000 0.861 340 R HN 0.717 nan 8.270 nan 0.000 0.442 341 Q N -0.640 119.174 119.800 0.023 0.000 2.137 341 Q HA -0.071 4.379 4.340 0.183 0.000 0.198 341 Q C 2.068 178.081 176.000 0.022 0.000 0.960 341 Q CA 1.336 57.151 55.803 0.021 0.000 0.847 341 Q CB 0.072 28.822 28.738 0.021 0.000 0.915 341 Q HN 0.472 nan 8.270 nan 0.000 0.448 342 Q N 0.332 120.147 119.800 0.026 0.000 2.181 342 Q HA -0.173 4.277 4.340 0.183 0.000 0.205 342 Q C 2.114 178.129 176.000 0.025 0.000 0.980 342 Q CA 0.895 56.712 55.803 0.024 0.000 0.862 342 Q CB -0.115 28.640 28.738 0.029 0.000 0.905 342 Q HN 0.425 nan 8.270 nan 0.000 0.429 343 L N 0.513 121.750 121.223 0.023 0.000 1.988 343 L HA -0.233 4.217 4.340 0.183 0.000 0.207 343 L C 2.569 179.456 176.870 0.028 0.000 1.071 343 L CA 1.235 56.088 54.840 0.023 0.000 0.744 343 L CB -0.212 41.856 42.059 0.015 0.000 0.893 343 L HN 0.238 nan 8.230 nan 0.000 0.433 344 Q N -0.626 119.188 119.800 0.024 0.000 2.029 344 Q HA -0.284 4.166 4.340 0.183 0.000 0.209 344 Q C 2.224 178.246 176.000 0.036 0.000 0.999 344 Q CA 2.232 58.050 55.803 0.025 0.000 0.857 344 Q CB -1.048 27.702 28.738 0.020 0.000 0.926 344 Q HN 0.527 nan 8.270 nan 0.000 0.415 345 V N 0.664 120.599 119.914 0.035 0.000 2.469 345 V HA -0.222 4.008 4.120 0.183 0.000 0.251 345 V C 2.231 178.369 176.094 0.074 0.000 1.064 345 V CA 1.342 63.669 62.300 0.044 0.000 1.066 345 V CB -0.380 31.459 31.823 0.027 0.000 0.667 345 V HN 0.300 nan 8.190 nan 0.000 0.461 346 L N -0.197 121.067 121.223 0.070 0.000 2.027 346 L HA -0.039 4.411 4.340 0.183 0.000 0.206 346 L C 2.784 179.729 176.870 0.125 0.000 1.074 346 L CA 1.632 56.537 54.840 0.108 0.000 0.745 346 L CB -0.715 41.388 42.059 0.073 0.000 0.898 346 L HN 0.440 nan 8.230 nan 0.000 0.433 347 A N -0.057 122.806 122.820 0.072 0.000 1.908 347 A HA -0.293 4.137 4.320 0.183 0.000 0.218 347 A C 2.348 179.960 177.584 0.048 0.000 1.181 347 A CA 2.009 54.074 52.037 0.048 0.000 0.627 347 A CB -0.648 18.370 19.000 0.029 0.000 0.818 347 A HN 0.394 nan 8.150 nan 0.000 0.445 348 R N -1.846 118.692 120.500 0.063 0.000 2.097 348 R HA -0.242 4.208 4.340 0.183 0.000 0.236 348 R C 2.121 178.470 176.300 0.082 0.000 1.135 348 R CA 2.251 58.387 56.100 0.061 0.000 0.934 348 R CB -0.676 29.663 30.300 0.066 0.000 0.846 348 R HN 0.586 nan 8.270 nan 0.000 0.431 349 Y N 1.240 121.541 120.300 0.002 0.000 2.151 349 Y HA -0.207 4.453 4.550 0.183 0.000 0.284 349 Y C 1.782 177.683 175.900 0.002 0.000 1.166 349 Y CA 1.795 59.896 58.100 0.002 0.000 1.163 349 Y CB -0.322 38.139 38.460 0.002 0.000 0.974 349 Y HN 0.115 nan 8.280 nan 0.000 0.511 350 L N 0.259 121.407 121.223 -0.125 0.000 2.465 350 L HA -0.115 4.335 4.340 0.183 0.000 0.224 350 L C 1.030 177.812 176.870 -0.146 0.000 1.145 350 L CA 1.105 55.828 54.840 -0.195 0.000 0.834 350 L CB -0.438 41.593 42.059 -0.047 0.000 0.944 350 L HN 0.175 nan 8.230 nan 0.000 0.451 351 K N 0.549 120.892 120.400 -0.095 0.000 3.129 351 K HA -0.199 4.231 4.320 0.183 0.000 0.273 351 K C -0.090 176.485 176.600 -0.041 0.000 1.123 351 K CA 0.722 56.971 56.287 -0.062 0.000 0.800 351 K CB -1.522 30.928 32.500 -0.083 0.000 1.238 351 K HN 0.432 nan 8.250 nan 0.000 0.492 352 M N -0.839 118.744 119.600 -0.027 0.000 2.205 352 M HA 0.355 4.945 4.480 0.183 0.000 0.344 352 M C -0.377 175.920 176.300 -0.005 0.000 1.085 352 M CA -0.753 54.537 55.300 -0.017 0.000 1.001 352 M CB 1.637 34.228 32.600 -0.015 0.000 1.626 352 M HN -0.106 nan 8.290 nan 0.000 0.442 353 D N 4.050 124.448 120.400 -0.004 0.000 2.374 353 D HA 0.225 4.975 4.640 0.183 0.000 0.240 353 D C 0.659 176.961 176.300 0.004 0.000 1.229 353 D CA -0.139 53.862 54.000 0.002 0.000 0.895 353 D CB 0.612 41.414 40.800 0.003 0.000 1.046 353 D HN 0.813 nan 8.370 nan 0.000 0.498 354 L N 2.223 123.449 121.223 0.005 0.000 2.275 354 L HA -0.048 4.402 4.340 0.183 0.000 0.215 354 L C 0.943 177.816 176.870 0.005 0.000 1.119 354 L CA 0.692 55.534 54.840 0.004 0.000 0.790 354 L CB 0.007 42.069 42.059 0.004 0.000 0.919 354 L HN 0.291 nan 8.230 nan 0.000 0.443 355 D N -1.069 119.337 120.400 0.010 0.000 2.349 355 D HA -0.057 4.693 4.640 0.183 0.000 0.214 355 D C 1.743 178.057 176.300 0.023 0.000 1.063 355 D CA 0.180 54.189 54.000 0.015 0.000 0.847 355 D CB -0.003 40.807 40.800 0.016 0.000 0.933 355 D HN 0.232 nan 8.370 nan 0.000 0.513 356 N N 0.708 119.419 118.700 0.020 0.000 2.223 356 N HA -0.138 4.712 4.740 0.183 0.000 0.185 356 N C 1.856 177.389 175.510 0.038 0.000 1.016 356 N CA 1.150 54.215 53.050 0.025 0.000 0.863 356 N CB 0.188 38.685 38.487 0.017 0.000 0.983 356 N HN 0.126 nan 8.380 nan 0.000 0.429 357 G N 1.471 110.290 108.800 0.032 0.000 2.545 357 G HA2 -0.251 3.819 3.960 0.183 0.000 0.217 357 G HA3 -0.251 3.819 3.960 0.183 0.000 0.217 357 G C 1.380 176.333 174.900 0.088 0.000 1.218 357 G CA 0.530 45.656 45.100 0.042 0.000 0.787 357 G HN 0.341 nan 8.290 nan 0.000 0.571 358 E N 0.363 120.608 120.200 0.075 0.000 2.160 358 E HA -0.105 4.355 4.350 0.183 0.000 0.195 358 E C 2.679 179.385 176.600 0.177 0.000 0.991 358 E CA 0.542 57.030 56.400 0.147 0.000 0.810 358 E CB -0.135 29.618 29.700 0.088 0.000 0.742 358 E HN 0.398 nan 8.360 nan 0.000 0.466 359 R N 0.787 121.347 120.500 0.100 0.000 2.096 359 R HA -0.146 4.304 4.340 0.183 0.000 0.229 359 R C 2.468 178.810 176.300 0.070 0.000 1.134 359 R CA 1.808 57.950 56.100 0.069 0.000 0.917 359 R CB -0.196 30.129 30.300 0.042 0.000 0.832 359 R HN 0.018 nan 8.270 nan 0.000 0.430 360 K N -0.183 120.261 120.400 0.074 0.000 2.089 360 K HA -0.226 4.203 4.320 0.183 0.000 0.210 360 K C 1.942 178.591 176.600 0.081 0.000 1.048 360 K CA 1.873 58.198 56.287 0.063 0.000 0.926 360 K CB -0.394 32.145 32.500 0.065 0.000 0.714 360 K HN 0.129 nan 8.250 nan 0.000 0.448 361 F N 1.680 121.630 119.950 -0.001 0.000 2.095 361 F HA -0.175 4.462 4.527 0.184 0.000 0.298 361 F C 1.671 177.470 175.800 -0.000 0.000 1.104 361 F CA 1.407 59.407 58.000 -0.000 0.000 1.232 361 F CB -0.298 38.702 39.000 -0.000 0.000 0.987 361 F HN -0.100 nan 8.300 nan 0.000 0.475 362 L N 0.312 121.413 121.223 -0.202 0.000 2.131 362 L HA -0.213 4.237 4.340 0.183 0.000 0.210 362 L C 2.614 179.335 176.870 -0.248 0.000 1.092 362 L CA 1.650 56.303 54.840 -0.311 0.000 0.759 362 L CB -0.748 41.282 42.059 -0.049 0.000 0.903 362 L HN 0.212 nan 8.230 nan 0.000 0.435 363 K N -0.021 120.292 120.400 -0.144 0.000 2.057 363 K HA -0.162 4.268 4.320 0.183 0.000 0.206 363 K C 1.982 178.507 176.600 -0.125 0.000 1.050 363 K CA 1.025 57.250 56.287 -0.103 0.000 0.935 363 K CB 0.200 32.669 32.500 -0.051 0.000 0.715 363 K HN 0.173 nan 8.250 nan 0.000 0.439 364 E N 1.018 121.129 120.200 -0.148 0.000 2.106 364 E HA -0.187 4.273 4.350 0.183 0.000 0.192 364 E C 1.817 178.306 176.600 -0.185 0.000 0.984 364 E CA 0.931 57.253 56.400 -0.130 0.000 0.806 364 E CB -0.095 29.554 29.700 -0.086 0.000 0.750 364 E HN 0.302 nan 8.360 nan 0.000 0.458 365 K N 0.709 120.903 120.400 -0.343 0.000 2.152 365 K HA -0.183 4.246 4.320 0.183 0.000 0.206 365 K C 1.421 177.908 176.600 -0.188 0.000 1.048 365 K CA 1.465 57.548 56.287 -0.340 0.000 0.933 365 K CB 0.118 32.269 32.500 -0.583 0.000 0.721 365 K HN -0.041 nan 8.250 nan 0.000 0.447 366 D N -0.251 120.050 120.400 -0.164 0.000 2.077 366 D HA -0.133 4.617 4.640 0.183 0.000 0.196 366 D C 1.859 178.116 176.300 -0.073 0.000 0.986 366 D CA 2.089 56.028 54.000 -0.101 0.000 0.829 366 D CB -0.669 40.080 40.800 -0.085 0.000 0.983 366 D HN 0.386 nan 8.370 nan 0.000 0.453 367 T N -1.209 113.304 114.554 -0.069 0.000 2.969 367 T HA -0.105 4.355 4.350 0.183 0.000 0.271 367 T C 1.965 176.641 174.700 -0.041 0.000 1.127 367 T CA 0.798 62.870 62.100 -0.047 0.000 1.102 367 T CB -0.455 68.389 68.868 -0.041 0.000 0.855 367 T HN -0.065 nan 8.240 nan 0.000 0.536 368 V N 1.337 121.220 119.914 -0.052 0.000 2.379 368 V HA 0.165 4.395 4.120 0.183 0.000 0.243 368 V C 3.144 179.222 176.094 -0.027 0.000 1.035 368 V CA 1.315 63.592 62.300 -0.038 0.000 1.035 368 V CB -1.115 30.681 31.823 -0.045 0.000 0.673 368 V HN 0.642 nan 8.190 nan 0.000 0.457 369 A N -0.629 122.171 122.820 -0.035 0.000 2.070 369 A HA -0.239 4.191 4.320 0.183 0.000 0.220 369 A C 2.151 179.725 177.584 -0.017 0.000 1.159 369 A CA 1.912 53.935 52.037 -0.022 0.000 0.656 369 A CB -0.405 18.579 19.000 -0.027 0.000 0.800 369 A HN 0.653 nan 8.150 nan 0.000 0.453 370 E N 0.024 120.210 120.200 -0.023 0.000 2.015 370 E HA -0.134 4.326 4.350 0.183 0.000 0.191 370 E C 1.930 178.524 176.600 -0.010 0.000 0.991 370 E CA 1.097 57.486 56.400 -0.020 0.000 0.802 370 E CB -0.197 29.488 29.700 -0.025 0.000 0.759 370 E HN 0.594 nan 8.360 nan 0.000 0.447 371 L N 0.535 121.753 121.223 -0.008 0.000 1.994 371 L HA -0.208 4.242 4.340 0.183 0.000 0.208 371 L C 2.855 179.731 176.870 0.010 0.000 1.071 371 L CA 1.423 56.263 54.840 0.001 0.000 0.745 371 L CB -0.756 41.303 42.059 -0.001 0.000 0.892 371 L HN 0.277 nan 8.230 nan 0.000 0.431 372 Q N 0.508 120.311 119.800 0.006 0.000 2.217 372 Q HA -0.229 4.221 4.340 0.183 0.000 0.209 372 Q C 2.044 178.058 176.000 0.023 0.000 0.988 372 Q CA 2.166 57.977 55.803 0.013 0.000 0.878 372 Q CB -0.249 28.493 28.738 0.007 0.000 0.909 372 Q HN 0.465 nan 8.270 nan 0.000 0.424 373 A N 0.036 122.867 122.820 0.019 0.000 1.855 373 A HA -0.249 4.181 4.320 0.183 0.000 0.215 373 A C 2.013 179.632 177.584 0.057 0.000 1.191 373 A CA 1.677 53.731 52.037 0.029 0.000 0.613 373 A CB -0.635 18.369 19.000 0.008 0.000 0.829 373 A HN 0.603 nan 8.150 nan 0.000 0.442 374 Q N -0.891 118.937 119.800 0.046 0.000 2.084 374 Q HA -0.138 4.312 4.340 0.183 0.000 0.202 374 Q C 2.090 178.158 176.000 0.113 0.000 0.978 374 Q CA 1.394 57.242 55.803 0.076 0.000 0.844 374 Q CB -0.372 28.392 28.738 0.043 0.000 0.898 374 Q HN 0.545 nan 8.270 nan 0.000 0.426 375 L N 1.292 122.558 121.223 0.071 0.000 2.012 375 L HA -0.223 4.227 4.340 0.183 0.000 0.210 375 L C 1.651 178.560 176.870 0.064 0.000 1.073 375 L CA 1.758 56.634 54.840 0.060 0.000 0.748 375 L CB -0.308 41.773 42.059 0.037 0.000 0.891 375 L HN 0.125 nan 8.230 nan 0.000 0.431 376 D N -1.720 118.721 120.400 0.068 0.000 2.133 376 D HA -0.281 4.469 4.640 0.183 0.000 0.195 376 D C 1.921 178.274 176.300 0.088 0.000 0.997 376 D CA 1.558 55.598 54.000 0.065 0.000 0.840 376 D CB -0.258 40.580 40.800 0.064 0.000 0.947 376 D HN 0.433 nan 8.370 nan 0.000 0.452 377 Y N 0.692 120.993 120.300 0.001 0.000 2.133 377 Y HA -0.152 4.508 4.550 0.183 0.000 0.287 377 Y C 2.102 178.001 175.900 -0.002 0.000 1.134 377 Y CA 0.950 59.049 58.100 -0.001 0.000 1.133 377 Y CB -0.463 37.995 38.460 -0.003 0.000 0.987 377 Y HN -0.108 nan 8.280 nan 0.000 0.502 378 L N 0.927 122.172 121.223 0.037 0.000 2.127 378 L HA -0.261 4.189 4.340 0.183 0.000 0.211 378 L C 1.806 178.615 176.870 -0.103 0.000 1.089 378 L CA 1.922 56.732 54.840 -0.051 0.000 0.757 378 L CB -1.192 40.898 42.059 0.051 0.000 0.899 378 L HN 0.304 nan 8.230 nan 0.000 0.434 379 N N -1.299 117.367 118.700 -0.057 0.000 2.216 379 N HA -0.087 4.763 4.740 0.183 0.000 0.183 379 N C 1.873 177.327 175.510 -0.093 0.000 1.017 379 N CA 1.079 54.102 53.050 -0.044 0.000 0.861 379 N CB -0.194 38.288 38.487 -0.008 0.000 0.986 379 N HN 0.388 nan 8.380 nan 0.000 0.428 380 A N 1.083 123.816 122.820 -0.145 0.000 1.917 380 A HA -0.183 4.247 4.320 0.183 0.000 0.219 380 A C 1.983 179.420 177.584 -0.246 0.000 1.182 380 A CA 1.427 53.355 52.037 -0.182 0.000 0.633 380 A CB -0.320 18.556 19.000 -0.206 0.000 0.819 380 A HN 0.189 nan 8.150 nan 0.000 0.448 381 E N -0.534 119.439 120.200 -0.378 0.000 2.112 381 E HA 0.012 4.472 4.350 0.183 0.000 0.190 381 E C 1.985 178.443 176.600 -0.237 0.000 0.979 381 E CA 0.837 57.035 56.400 -0.336 0.000 0.814 381 E CB -0.152 29.290 29.700 -0.429 0.000 0.762 381 E HN 0.677 nan 8.360 nan 0.000 0.460 382 L N -0.742 120.357 121.223 -0.207 0.000 2.408 382 L HA 0.217 4.667 4.340 0.183 0.000 0.215 382 L C 1.023 177.861 176.870 -0.054 0.000 1.081 382 L CA 0.392 55.096 54.840 -0.227 0.000 0.840 382 L CB 0.079 42.017 42.059 -0.202 0.000 1.002 382 L HN 0.100 nan 8.230 nan 0.000 0.468 383 G N 0.344 109.136 108.800 -0.014 0.000 2.712 383 G HA2 -0.199 3.871 3.960 0.183 0.000 0.686 383 G HA3 -0.199 3.871 3.960 0.183 0.000 0.686 383 G C 0.186 175.139 174.900 0.089 0.000 1.321 383 G CA -0.209 44.916 45.100 0.041 0.000 0.813 383 G HN 0.140 nan 8.290 nan 0.000 0.599 384 E N -0.369 119.878 120.200 0.078 0.000 2.023 384 E HA -0.143 4.316 4.350 0.183 0.000 0.196 384 E C 2.267 178.928 176.600 0.101 0.000 1.003 384 E CA 1.667 58.112 56.400 0.075 0.000 0.809 384 E CB -0.117 29.623 29.700 0.067 0.000 0.755 384 E HN 0.474 nan 8.360 nan 0.000 0.449 385 F N 0.500 120.411 119.950 -0.065 0.000 2.115 385 F HA -0.261 4.375 4.527 0.183 0.000 0.300 385 F C 2.133 177.740 175.800 -0.322 0.000 1.092 385 F CA 1.491 59.394 58.000 -0.162 0.000 1.245 385 F CB -0.577 38.370 39.000 -0.089 0.000 0.995 385 F HN 0.033 nan 8.300 nan 0.000 0.481 386 F N -0.455 119.401 119.950 -0.157 0.000 2.098 386 F HA -0.163 4.474 4.527 0.183 0.000 0.294 386 F C 2.214 177.866 175.800 -0.248 0.000 1.107 386 F CA 1.651 59.512 58.000 -0.231 0.000 1.234 386 F CB -0.613 38.406 39.000 0.031 0.000 1.002 386 F HN -0.238 nan 8.300 nan 0.000 0.472 387 V N 0.854 120.847 119.914 0.132 0.000 2.295 387 V HA -0.317 3.912 4.120 0.183 0.000 0.246 387 V C 2.141 178.160 176.094 -0.124 0.000 1.049 387 V CA 2.142 64.475 62.300 0.054 0.000 1.024 387 V CB -0.833 31.035 31.823 0.075 0.000 0.648 387 V HN 0.360 nan 8.190 nan 0.000 0.447 388 N N 1.060 119.657 118.700 -0.173 0.000 2.106 388 N HA -0.096 4.754 4.740 0.183 0.000 0.188 388 N C 1.889 177.166 175.510 -0.388 0.000 1.029 388 N CA 1.692 54.607 53.050 -0.224 0.000 0.848 388 N CB -0.807 37.580 38.487 -0.168 0.000 1.007 388 N HN 0.503 nan 8.380 nan 0.000 0.423 389 G N -0.094 108.279 108.800 -0.712 0.000 2.625 389 G HA2 -0.095 3.975 3.960 0.183 0.000 0.214 389 G HA3 -0.095 3.975 3.960 0.183 0.000 0.214 389 G C 1.191 175.684 174.900 -0.678 0.000 1.132 389 G CA 0.185 44.680 45.100 -1.010 0.000 0.782 389 G HN 0.247 nan 8.290 nan 0.000 0.538 390 V N 0.470 120.086 119.914 -0.496 0.000 3.542 390 V HA 0.573 4.803 4.120 0.183 0.000 0.296 390 V C 1.568 177.564 176.094 -0.163 0.000 1.364 390 V CA 0.236 62.389 62.300 -0.246 0.000 1.118 390 V CB -0.414 31.199 31.823 -0.350 0.000 0.972 390 V HN 0.458 nan 8.190 nan 0.000 0.430 391 A N 0.002 122.720 122.820 -0.170 0.000 2.386 391 A HA 0.437 4.867 4.320 0.183 0.000 0.246 391 A C 0.613 178.134 177.584 -0.105 0.000 1.089 391 A CA 0.439 52.405 52.037 -0.119 0.000 0.790 391 A CB 0.174 19.105 19.000 -0.115 0.000 1.042 391 A HN 0.306 nan 8.150 nan 0.000 0.497 392 T N -0.471 114.035 114.554 -0.080 0.000 2.904 392 T HA 0.397 4.857 4.350 0.183 0.000 0.290 392 T C 1.127 175.786 174.700 -0.067 0.000 1.018 392 T CA 0.535 62.596 62.100 -0.065 0.000 1.075 392 T CB 0.971 69.817 68.868 -0.037 0.000 0.986 392 T HN 0.747 nan 8.240 nan 0.000 0.523 393 S N 2.251 117.922 115.700 -0.049 0.000 2.769 393 S HA 0.266 4.846 4.470 0.183 0.000 0.258 393 S C -0.026 174.556 174.600 -0.030 0.000 1.080 393 S CA -0.568 57.603 58.200 -0.049 0.000 0.943 393 S CB -0.022 63.149 63.200 -0.049 0.000 0.893 393 S HN 0.632 nan 8.310 nan 0.000 0.490 394 F N 4.095 123.989 119.950 -0.094 0.000 2.427 394 F HA 0.599 5.236 4.527 0.184 0.000 0.352 394 F C -0.008 175.696 175.800 -0.160 0.000 1.100 394 F CA -0.019 57.923 58.000 -0.097 0.000 1.191 394 F CB 1.070 40.091 39.000 0.034 0.000 1.128 394 F HN 0.152 nan 8.300 nan 0.000 0.533 395 S N 5.594 120.659 115.700 -1.058 0.000 2.549 395 S HA 0.477 5.057 4.470 0.183 0.000 0.280 395 S C 0.395 174.162 174.600 -1.389 0.000 1.109 395 S CA -1.039 56.582 58.200 -0.964 0.000 0.905 395 S CB 2.099 64.977 63.200 -0.538 0.000 1.081 395 S HN 0.823 nan 8.310 nan 0.000 0.477 396 R N 1.138 121.037 120.500 -1.001 0.000 2.120 396 R HA 0.040 4.490 4.340 0.183 0.000 0.234 396 R C 1.556 177.477 176.300 -0.631 0.000 1.123 396 R CA 1.188 56.749 56.100 -0.898 0.000 0.975 396 R CB -0.246 29.819 30.300 -0.392 0.000 0.866 396 R HN 0.627 nan 8.270 nan 0.000 0.446 397 K N 0.660 120.748 120.400 -0.519 0.000 2.439 397 K HA -0.062 4.368 4.320 0.183 0.000 0.197 397 K C 1.232 177.594 176.600 -0.397 0.000 1.041 397 K CA 0.796 56.800 56.287 -0.472 0.000 0.970 397 K CB 0.181 32.288 32.500 -0.654 0.000 0.773 397 K HN 0.127 nan 8.250 nan 0.000 0.479 398 K N 0.446 120.558 120.400 -0.480 0.000 2.404 398 K HA 0.140 4.570 4.320 0.183 0.000 0.194 398 K C 0.156 176.553 176.600 -0.338 0.000 1.023 398 K CA -0.306 55.721 56.287 -0.434 0.000 1.094 398 K CB 0.784 32.843 32.500 -0.734 0.000 0.841 398 K HN 0.014 nan 8.250 nan 0.000 0.523 399 A N 1.500 124.133 122.820 -0.312 0.000 2.388 399 A HA 0.364 4.794 4.320 0.183 0.000 0.257 399 A C -0.320 177.247 177.584 -0.030 0.000 1.095 399 A CA -0.163 51.779 52.037 -0.159 0.000 0.791 399 A CB 0.354 19.231 19.000 -0.205 0.000 1.029 399 A HN 0.089 nan 8.150 nan 0.000 0.489 400 R N 0.831 121.336 120.500 0.008 0.000 2.439 400 R HA 0.553 5.003 4.340 0.183 0.000 0.310 400 R C -0.163 175.939 176.300 -0.330 0.000 0.955 400 R CA -0.072 55.934 56.100 -0.156 0.000 0.853 400 R CB 1.619 31.850 30.300 -0.115 0.000 1.171 400 R HN 0.847 nan 8.270 nan 0.000 0.449 401 T N 0.230 114.534 114.554 -0.415 0.000 2.823 401 T HA 0.671 5.130 4.350 0.183 0.000 0.279 401 T C -0.618 173.725 174.700 -0.595 0.000 0.998 401 T CA -0.537 61.352 62.100 -0.351 0.000 0.994 401 T CB 0.533 69.318 68.868 -0.138 0.000 0.960 401 T HN 0.250 nan 8.240 nan 0.000 0.448 402 F N 2.574 122.404 119.950 -0.200 0.000 2.426 402 F HA 0.476 5.113 4.527 0.183 0.000 0.348 402 F C 0.757 176.228 175.800 -0.549 0.000 1.124 402 F CA -0.904 56.844 58.000 -0.420 0.000 1.008 402 F CB 1.887 40.459 39.000 -0.714 0.000 1.139 402 F HN 0.605 nan 8.300 nan 0.000 0.452 403 D N 0.221 120.585 120.400 -0.060 0.000 2.929 403 D HA -0.027 4.723 4.640 0.183 0.000 0.291 403 D C 1.144 177.602 176.300 0.263 0.000 1.086 403 D CA 0.757 54.826 54.000 0.115 0.000 0.971 403 D CB 0.215 41.088 40.800 0.122 0.000 1.275 403 D HN 0.343 nan 8.370 nan 0.000 0.469 404 S N 1.137 116.887 115.700 0.084 0.000 3.870 404 S HA 0.050 4.630 4.470 0.183 0.000 0.198 404 S C 1.410 175.635 174.600 -0.624 0.000 1.336 404 S CA 0.095 57.946 58.200 -0.582 0.000 1.049 404 S CB -0.465 62.046 63.200 -1.149 0.000 1.412 404 S HN 0.119 nan 8.310 nan 0.000 0.448 405 S N 1.954 117.649 115.700 -0.008 0.000 2.399 405 S HA -0.161 4.419 4.470 0.183 0.000 0.231 405 S C 1.790 176.316 174.600 -0.123 0.000 1.022 405 S CA 0.565 58.764 58.200 -0.002 0.000 0.983 405 S CB -1.023 62.222 63.200 0.075 0.000 0.803 405 S HN 0.976 nan 8.310 nan 0.000 0.480 406 W N 2.343 123.599 121.300 -0.073 0.000 2.364 406 W HA -0.055 4.715 4.660 0.183 0.000 0.281 406 W C 1.732 178.143 176.519 -0.180 0.000 1.219 406 W CA 0.965 58.245 57.345 -0.108 0.000 1.220 406 W CB -0.953 28.450 29.460 -0.095 0.000 1.127 406 W HN 0.479 nan 8.180 nan 0.000 0.556 407 N N 0.106 118.363 118.700 -0.739 0.000 2.499 407 N HA -0.067 4.783 4.740 0.183 0.000 0.182 407 N C 1.569 176.776 175.510 -0.504 0.000 1.034 407 N CA 0.441 53.027 53.050 -0.774 0.000 0.882 407 N CB -0.824 36.688 38.487 -1.625 0.000 1.125 407 N HN 0.179 nan 8.380 nan 0.000 0.436 408 W N 1.700 122.818 121.300 -0.303 0.000 2.465 408 W HA 0.069 4.839 4.660 0.183 0.000 0.268 408 W C 2.454 178.863 176.519 -0.183 0.000 1.242 408 W CA 0.374 57.590 57.345 -0.215 0.000 1.248 408 W CB 0.035 29.368 29.460 -0.211 0.000 1.118 408 W HN 0.140 nan 8.180 nan 0.000 0.587 409 A N 1.220 124.041 122.820 0.002 0.000 1.873 409 A HA -0.178 4.251 4.320 0.183 0.000 0.215 409 A C 1.891 179.422 177.584 -0.087 0.000 1.186 409 A CA 1.568 53.588 52.037 -0.028 0.000 0.616 409 A CB -0.597 18.391 19.000 -0.020 0.000 0.823 409 A HN 0.254 nan 8.150 nan 0.000 0.442 410 K N -0.536 119.723 120.400 -0.236 0.000 2.063 410 K HA -0.220 4.210 4.320 0.183 0.000 0.208 410 K C 2.387 178.832 176.600 -0.260 0.000 1.048 410 K CA 1.659 57.600 56.287 -0.577 0.000 0.928 410 K CB -0.176 31.735 32.500 -0.981 0.000 0.713 410 K HN 0.696 nan 8.250 nan 0.000 0.442 411 Q N 0.646 120.392 119.800 -0.089 0.000 2.046 411 Q HA -0.156 4.294 4.340 0.183 0.000 0.200 411 Q C 2.206 178.245 176.000 0.065 0.000 0.975 411 Q CA 1.624 57.459 55.803 0.053 0.000 0.836 411 Q CB -0.047 28.786 28.738 0.158 0.000 0.896 411 Q HN 0.137 nan 8.270 nan 0.000 0.428 412 S N 0.373 116.097 115.700 0.039 0.000 2.380 412 S HA -0.193 4.387 4.470 0.183 0.000 0.229 412 S C 1.800 176.423 174.600 0.039 0.000 1.043 412 S CA 1.538 59.744 58.200 0.010 0.000 1.038 412 S CB -0.319 62.867 63.200 -0.023 0.000 0.872 412 S HN 0.490 nan 8.310 nan 0.000 0.456 413 L N 0.434 121.696 121.223 0.065 0.000 2.095 413 L HA 0.197 4.647 4.340 0.183 0.000 0.204 413 L C 1.852 178.791 176.870 0.115 0.000 1.080 413 L CA 1.071 55.974 54.840 0.105 0.000 0.759 413 L CB -0.237 41.918 42.059 0.161 0.000 0.914 413 L HN 0.295 nan 8.230 nan 0.000 0.439 414 L N -1.140 120.171 121.223 0.146 0.000 2.622 414 L HA -0.019 4.431 4.340 0.183 0.000 0.233 414 L C 1.904 178.882 176.870 0.180 0.000 1.156 414 L CA 1.053 55.925 54.840 0.053 0.000 0.866 414 L CB -0.256 41.904 42.059 0.169 0.000 0.980 414 L HN 0.312 nan 8.230 nan 0.000 0.448 415 S N -1.887 113.916 115.700 0.173 0.000 2.691 415 S HA 0.124 4.704 4.470 0.183 0.000 0.241 415 S C 1.630 176.323 174.600 0.155 0.000 1.077 415 S CA -0.023 58.298 58.200 0.202 0.000 0.900 415 S CB -0.136 63.137 63.200 0.122 0.000 0.805 415 S HN 0.418 nan 8.310 nan 0.000 0.529 416 L N 0.833 122.114 121.223 0.096 0.000 2.129 416 L HA -0.171 4.279 4.340 0.183 0.000 0.212 416 L C 2.132 179.030 176.870 0.047 0.000 1.087 416 L CA 2.028 56.903 54.840 0.058 0.000 0.757 416 L CB -0.395 41.690 42.059 0.044 0.000 0.896 416 L HN 0.554 nan 8.230 nan 0.000 0.434 417 Y N -0.280 119.953 120.300 -0.111 0.000 2.153 417 Y HA -0.250 4.410 4.550 0.183 0.000 0.289 417 Y C 2.097 177.807 175.900 -0.315 0.000 1.127 417 Y CA 1.757 59.703 58.100 -0.256 0.000 1.131 417 Y CB -0.518 37.704 38.460 -0.396 0.000 0.995 417 Y HN 0.072 nan 8.280 nan 0.000 0.505 418 F N 0.751 120.788 119.950 0.145 0.000 2.365 418 F HA -0.053 4.584 4.527 0.183 0.000 0.300 418 F C 2.377 178.089 175.800 -0.147 0.000 1.090 418 F CA 1.492 59.448 58.000 -0.073 0.000 1.408 418 F CB -0.485 38.553 39.000 0.064 0.000 1.060 418 F HN 0.177 nan 8.300 nan 0.000 0.534 419 E N 0.251 120.518 120.200 0.112 0.000 2.158 419 E HA -0.100 4.360 4.350 0.183 0.000 0.191 419 E C 2.286 178.885 176.600 -0.001 0.000 0.982 419 E CA 0.677 57.136 56.400 0.098 0.000 0.823 419 E CB -0.052 29.700 29.700 0.086 0.000 0.766 419 E HN 0.357 nan 8.360 nan 0.000 0.468 420 I N 0.615 121.124 120.570 -0.103 0.000 2.286 420 I HA -0.216 4.064 4.170 0.183 0.000 0.245 420 I C 2.188 178.161 176.117 -0.239 0.000 1.104 420 I CA 0.694 61.901 61.300 -0.155 0.000 1.397 420 I CB -0.069 37.812 38.000 -0.198 0.000 1.072 420 I HN 0.173 nan 8.210 nan 0.000 0.417 421 I N 0.270 120.598 120.570 -0.403 0.000 2.226 421 I HA -0.328 3.952 4.170 0.183 0.000 0.245 421 I C 2.003 177.925 176.117 -0.325 0.000 1.100 421 I CA 1.749 62.701 61.300 -0.580 0.000 1.374 421 I CB -0.455 37.069 38.000 -0.794 0.000 1.057 421 I HN 0.313 nan 8.210 nan 0.000 0.413 422 H N 0.042 119.061 119.070 -0.084 0.000 2.547 422 H HA 0.114 4.780 4.556 0.183 0.000 0.266 422 H C 1.444 176.758 175.328 -0.022 0.000 0.988 422 H CA 0.328 56.366 56.048 -0.016 0.000 1.147 422 H CB 0.176 29.962 29.762 0.040 0.000 1.365 422 H HN 0.469 nan 8.280 nan 0.000 0.589 423 G N 0.763 109.590 108.800 0.046 0.000 2.198 423 G HA2 -0.303 3.767 3.960 0.183 0.000 0.260 423 G HA3 -0.303 3.767 3.960 0.183 0.000 0.260 423 G C 0.954 175.875 174.900 0.034 0.000 1.025 423 G CA 0.566 45.678 45.100 0.020 0.000 0.769 423 G HN 0.322 nan 8.290 nan 0.000 0.507 424 V N -0.360 119.585 119.914 0.052 0.000 2.346 424 V HA 0.135 4.365 4.120 0.183 0.000 0.244 424 V C 1.713 177.819 176.094 0.020 0.000 1.037 424 V CA 1.716 64.041 62.300 0.041 0.000 1.029 424 V CB -0.190 31.668 31.823 0.059 0.000 0.663 424 V HN 0.432 nan 8.190 nan 0.000 0.454 425 L N 1.244 122.474 121.223 0.011 0.000 2.257 425 L HA 0.392 4.842 4.340 0.183 0.000 0.290 425 L C -0.128 176.731 176.870 -0.018 0.000 1.044 425 L CA -0.114 54.724 54.840 -0.004 0.000 0.810 425 L CB 0.909 42.963 42.059 -0.008 0.000 1.193 425 L HN 0.123 nan 8.230 nan 0.000 0.425 426 K N 1.411 121.803 120.400 -0.014 0.000 2.132 426 K HA 0.200 4.630 4.320 0.183 0.000 0.241 426 K C 0.683 177.272 176.600 -0.020 0.000 1.000 426 K CA -0.711 55.565 56.287 -0.019 0.000 0.911 426 K CB 0.936 33.430 32.500 -0.011 0.000 1.093 426 K HN 0.420 nan 8.250 nan 0.000 0.460 427 N N 1.157 119.844 118.700 -0.021 0.000 2.551 427 N HA -0.062 4.788 4.740 0.183 0.000 0.199 427 N C 0.094 175.597 175.510 -0.012 0.000 1.277 427 N CA 0.242 53.281 53.050 -0.019 0.000 0.870 427 N CB 0.226 38.701 38.487 -0.020 0.000 1.028 427 N HN 0.294 nan 8.380 nan 0.000 0.452 428 V N -1.332 118.576 119.914 -0.010 0.000 3.151 428 V HA 0.087 4.317 4.120 0.183 0.000 0.241 428 V C 0.274 176.364 176.094 -0.007 0.000 1.173 428 V CA -0.094 62.201 62.300 -0.008 0.000 1.154 428 V CB -0.152 31.667 31.823 -0.007 0.000 0.898 428 V HN 0.111 nan 8.190 nan 0.000 0.473 429 D N 1.726 122.121 120.400 -0.007 0.000 2.525 429 D HA 0.037 4.787 4.640 0.183 0.000 0.235 429 D C 1.124 177.421 176.300 -0.005 0.000 1.137 429 D CA 0.319 54.315 54.000 -0.005 0.000 0.868 429 D CB 0.801 41.598 40.800 -0.004 0.000 1.180 429 D HN 0.201 nan 8.370 nan 0.000 0.465 430 R N 1.648 122.145 120.500 -0.005 0.000 2.189 430 R HA -0.098 4.352 4.340 0.183 0.000 0.218 430 R C 1.532 177.831 176.300 -0.001 0.000 1.074 430 R CA 0.402 56.499 56.100 -0.004 0.000 0.991 430 R CB 0.190 30.486 30.300 -0.007 0.000 0.883 430 R HN 0.457 nan 8.270 nan 0.000 0.457 431 E N 0.668 120.868 120.200 0.001 0.000 2.118 431 E HA -0.162 4.298 4.350 0.183 0.000 0.195 431 E C 1.984 178.583 176.600 -0.001 0.000 0.992 431 E CA 1.212 57.613 56.400 0.002 0.000 0.804 431 E CB -0.218 29.483 29.700 0.001 0.000 0.741 431 E HN 0.170 nan 8.360 nan 0.000 0.458 432 V N 0.208 120.120 119.914 -0.004 0.000 2.490 432 V HA -0.192 4.038 4.120 0.183 0.000 0.250 432 V C 2.177 178.270 176.094 -0.001 0.000 1.061 432 V CA 1.585 63.882 62.300 -0.005 0.000 1.064 432 V CB -0.183 31.634 31.823 -0.011 0.000 0.670 432 V HN 0.055 nan 8.190 nan 0.000 0.461 433 V N 0.665 120.579 119.914 -0.000 0.000 2.323 433 V HA -0.166 4.064 4.120 0.183 0.000 0.244 433 V C 2.764 178.863 176.094 0.007 0.000 1.041 433 V CA 2.209 64.510 62.300 0.002 0.000 1.025 433 V CB -0.954 30.868 31.823 -0.000 0.000 0.656 433 V HN 0.636 nan 8.190 nan 0.000 0.451 434 S N -0.002 115.704 115.700 0.011 0.000 2.359 434 S HA -0.286 4.294 4.470 0.183 0.000 0.223 434 S C 2.023 176.633 174.600 0.017 0.000 1.039 434 S CA 1.931 60.147 58.200 0.026 0.000 1.042 434 S CB -0.375 62.849 63.200 0.039 0.000 0.915 434 S HN 0.557 nan 8.310 nan 0.000 0.439 435 E N 1.139 121.338 120.200 -0.003 0.000 2.208 435 E HA 0.147 4.607 4.350 0.183 0.000 0.193 435 E C 2.037 178.633 176.600 -0.005 0.000 0.988 435 E CA 0.806 57.194 56.400 -0.021 0.000 0.828 435 E CB -0.511 29.175 29.700 -0.024 0.000 0.763 435 E HN 0.433 nan 8.360 nan 0.000 0.478 436 A N 0.743 123.566 122.820 0.005 0.000 1.858 436 A HA -0.186 4.244 4.320 0.183 0.000 0.216 436 A C 2.256 179.849 177.584 0.015 0.000 1.190 436 A CA 1.524 53.568 52.037 0.012 0.000 0.617 436 A CB -0.768 18.239 19.000 0.011 0.000 0.827 436 A HN 0.295 nan 8.150 nan 0.000 0.443 437 I N -0.147 120.433 120.570 0.017 0.000 2.194 437 I HA -0.342 3.938 4.170 0.183 0.000 0.246 437 I C 2.169 178.304 176.117 0.030 0.000 1.093 437 I CA 2.027 63.342 61.300 0.025 0.000 1.355 437 I CB -0.694 37.324 38.000 0.031 0.000 1.046 437 I HN 0.451 nan 8.210 nan 0.000 0.413 438 N N 0.602 119.315 118.700 0.021 0.000 2.270 438 N HA -0.019 4.831 4.740 0.183 0.000 0.181 438 N C 1.908 177.414 175.510 -0.006 0.000 1.016 438 N CA 0.718 53.770 53.050 0.004 0.000 0.870 438 N CB 0.106 38.558 38.487 -0.059 0.000 0.979 438 N HN 0.296 nan 8.380 nan 0.000 0.431 439 I N 0.671 121.241 120.570 0.001 0.000 2.286 439 I HA -0.199 4.081 4.170 0.183 0.000 0.245 439 I C 1.976 178.108 176.117 0.024 0.000 1.104 439 I CA 0.963 62.272 61.300 0.014 0.000 1.397 439 I CB -0.215 37.801 38.000 0.026 0.000 1.072 439 I HN 0.186 nan 8.210 nan 0.000 0.417 440 M N 0.287 119.902 119.600 0.025 0.000 2.213 440 M HA -0.168 4.422 4.480 0.183 0.000 0.263 440 M C 1.448 177.764 176.300 0.027 0.000 1.062 440 M CA 1.394 56.710 55.300 0.027 0.000 1.105 440 M CB -0.768 31.846 32.600 0.023 0.000 1.385 440 M HN 0.212 nan 8.290 nan 0.000 0.417 441 N N 1.100 119.816 118.700 0.026 0.000 2.635 441 N HA -0.051 4.799 4.740 0.183 0.000 0.191 441 N C 0.293 175.820 175.510 0.029 0.000 1.155 441 N CA 0.785 53.853 53.050 0.030 0.000 0.927 441 N CB 0.024 38.535 38.487 0.039 0.000 0.976 441 N HN 0.414 nan 8.380 nan 0.000 0.448 442 R N -0.796 119.721 120.500 0.028 0.000 2.599 442 R HA 0.211 4.661 4.340 0.183 0.000 0.451 442 R C -0.481 175.844 176.300 0.041 0.000 0.988 442 R CA -0.198 55.923 56.100 0.035 0.000 1.085 442 R CB 0.538 30.852 30.300 0.024 0.000 1.452 442 R HN -0.125 nan 8.270 nan 0.000 0.596 443 S N 1.912 117.635 115.700 0.038 0.000 2.546 443 S HA 0.111 4.691 4.470 0.183 0.000 0.290 443 S C 0.101 174.725 174.600 0.041 0.000 1.262 443 S CA 0.221 58.445 58.200 0.040 0.000 1.083 443 S CB 0.090 63.310 63.200 0.034 0.000 0.859 443 S HN 0.236 nan 8.310 nan 0.000 0.495 444 N N 2.300 121.026 118.700 0.044 0.000 2.402 444 N HA 0.260 5.109 4.740 0.183 0.000 0.294 444 N C 0.085 175.615 175.510 0.032 0.000 1.203 444 N CA -0.730 52.342 53.050 0.036 0.000 0.838 444 N CB 1.155 39.666 38.487 0.040 0.000 1.306 444 N HN 0.376 nan 8.380 nan 0.000 0.510 445 D N 0.389 120.800 120.400 0.019 0.000 2.309 445 D HA -0.025 4.725 4.640 0.183 0.000 0.212 445 D C 1.320 177.635 176.300 0.025 0.000 0.968 445 D CA 0.891 54.902 54.000 0.018 0.000 0.882 445 D CB 0.212 41.015 40.800 0.004 0.000 0.918 445 D HN 0.580 nan 8.370 nan 0.000 0.503 446 A N -0.008 122.826 122.820 0.024 0.000 1.956 446 A HA 0.090 4.520 4.320 0.183 0.000 0.212 446 A C 1.920 179.550 177.584 0.078 0.000 1.188 446 A CA 0.074 52.129 52.037 0.030 0.000 0.675 446 A CB -0.426 18.575 19.000 0.002 0.000 0.845 446 A HN 0.227 nan 8.150 nan 0.000 0.455 447 L N -0.059 121.208 121.223 0.074 0.000 2.201 447 L HA -0.104 4.346 4.340 0.183 0.000 0.212 447 L C 2.154 179.125 176.870 0.169 0.000 1.105 447 L CA 1.309 56.213 54.840 0.106 0.000 0.775 447 L CB -0.312 41.789 42.059 0.069 0.000 0.913 447 L HN 0.423 nan 8.230 nan 0.000 0.440 448 I N -0.145 120.494 120.570 0.115 0.000 2.193 448 I HA -0.312 3.967 4.170 0.183 0.000 0.240 448 I C 2.335 178.524 176.117 0.120 0.000 1.084 448 I CA 1.147 62.510 61.300 0.105 0.000 1.365 448 I CB -0.200 37.840 38.000 0.065 0.000 1.064 448 I HN 0.145 nan 8.210 nan 0.000 0.410 449 K N 0.193 120.658 120.400 0.109 0.000 2.281 449 K HA -0.206 4.224 4.320 0.183 0.000 0.203 449 K C 1.893 178.591 176.600 0.164 0.000 1.046 449 K CA 1.371 57.720 56.287 0.103 0.000 0.938 449 K CB -0.206 32.329 32.500 0.059 0.000 0.737 449 K HN 0.142 nan 8.250 nan 0.000 0.458 450 F N 1.310 121.297 119.950 0.062 0.000 2.022 450 F HA -0.186 4.451 4.527 0.183 0.000 0.293 450 F C 1.982 177.895 175.800 0.189 0.000 1.142 450 F CA 1.626 59.699 58.000 0.122 0.000 1.177 450 F CB -0.212 38.840 39.000 0.086 0.000 0.982 450 F HN -0.118 nan 8.300 nan 0.000 0.473 451 M N -0.124 119.595 119.600 0.198 0.000 2.149 451 M HA -0.228 4.361 4.480 0.183 0.000 0.261 451 M C 2.061 178.382 176.300 0.035 0.000 1.064 451 M CA 1.876 57.219 55.300 0.073 0.000 1.102 451 M CB -0.815 31.856 32.600 0.119 0.000 1.369 451 M HN 0.246 nan 8.290 nan 0.000 0.408 452 E N -0.114 120.123 120.200 0.061 0.000 2.038 452 E HA -0.246 4.214 4.350 0.183 0.000 0.195 452 E C 1.914 178.512 176.600 -0.003 0.000 1.000 452 E CA 1.760 58.180 56.400 0.033 0.000 0.803 452 E CB -0.280 29.449 29.700 0.047 0.000 0.750 452 E HN 0.543 nan 8.360 nan 0.000 0.448 453 Y N 0.795 121.021 120.300 -0.125 0.000 2.145 453 Y HA -0.268 4.392 4.550 0.183 0.000 0.286 453 Y C 2.307 178.036 175.900 -0.286 0.000 1.145 453 Y CA 1.899 59.868 58.100 -0.218 0.000 1.148 453 Y CB -0.126 38.147 38.460 -0.312 0.000 0.981 453 Y HN 0.154 nan 8.280 nan 0.000 0.507 454 H N -0.853 118.125 119.070 -0.152 0.000 2.428 454 H HA -0.094 4.572 4.556 0.183 0.000 0.296 454 H C 2.133 177.326 175.328 -0.224 0.000 1.062 454 H CA 1.534 57.398 56.048 -0.306 0.000 1.350 454 H CB 0.270 29.659 29.762 -0.622 0.000 1.403 454 H HN 0.347 nan 8.280 nan 0.000 0.533 455 I N 0.675 121.228 120.570 -0.027 0.000 2.277 455 I HA -0.169 4.111 4.170 0.183 0.000 0.243 455 I C 2.612 178.716 176.117 -0.021 0.000 1.094 455 I CA 1.011 62.337 61.300 0.044 0.000 1.393 455 I CB -1.115 36.913 38.000 0.046 0.000 1.078 455 I HN 0.161 nan 8.210 nan 0.000 0.417 456 S N 0.145 115.789 115.700 -0.092 0.000 2.507 456 S HA -0.079 4.501 4.470 0.183 0.000 0.235 456 S C 1.392 175.890 174.600 -0.169 0.000 0.988 456 S CA 0.818 58.950 58.200 -0.113 0.000 0.944 456 S CB -0.566 62.564 63.200 -0.117 0.000 0.762 456 S HN 0.455 nan 8.310 nan 0.000 0.526 457 N N 1.920 120.467 118.700 -0.255 0.000 2.235 457 N HA 0.065 4.915 4.740 0.183 0.000 0.209 457 N C -0.160 175.293 175.510 -0.095 0.000 1.122 457 N CA 0.437 53.320 53.050 -0.279 0.000 0.845 457 N CB 0.730 38.850 38.487 -0.611 0.000 1.004 457 N HN 0.663 nan 8.380 nan 0.000 0.499 458 T N -1.499 113.055 114.554 0.000 0.000 2.845 458 T HA 0.142 4.602 4.350 0.183 0.000 0.288 458 T C -0.175 174.549 174.700 0.041 0.000 0.980 458 T CA -0.658 61.502 62.100 0.100 0.000 1.071 458 T CB 1.964 70.942 68.868 0.182 0.000 0.941 458 T HN -0.175 nan 8.240 nan 0.000 0.487 459 D N 2.435 122.842 120.400 0.010 0.000 2.453 459 D HA 0.158 4.908 4.640 0.183 0.000 0.223 459 D C 1.160 177.434 176.300 -0.044 0.000 1.183 459 D CA -0.498 53.468 54.000 -0.055 0.000 0.933 459 D CB 0.508 41.233 40.800 -0.125 0.000 1.038 459 D HN 0.724 nan 8.370 nan 0.000 0.513 460 E N 0.826 121.029 120.200 0.006 0.000 2.169 460 E HA -0.264 4.196 4.350 0.183 0.000 0.202 460 E C 1.646 178.249 176.600 0.004 0.000 1.016 460 E CA 1.498 57.916 56.400 0.029 0.000 0.817 460 E CB -0.154 29.552 29.700 0.012 0.000 0.736 460 E HN 0.338 nan 8.360 nan 0.000 0.462 461 T N 0.360 114.891 114.554 -0.038 0.000 2.720 461 T HA -0.185 4.275 4.350 0.183 0.000 0.268 461 T C 1.543 176.194 174.700 -0.082 0.000 1.037 461 T CA 1.424 63.493 62.100 -0.051 0.000 1.144 461 T CB -0.139 68.694 68.868 -0.059 0.000 0.864 461 T HN 0.131 nan 8.240 nan 0.000 0.444 462 K N 0.046 120.334 120.400 -0.188 0.000 2.228 462 K HA -0.014 4.416 4.320 0.183 0.000 0.205 462 K C 1.065 177.574 176.600 -0.152 0.000 1.045 462 K CA 0.989 57.084 56.287 -0.321 0.000 0.931 462 K CB -0.095 31.889 32.500 -0.861 0.000 0.727 462 K HN 0.483 nan 8.250 nan 0.000 0.458 463 G N -0.851 107.961 108.800 0.021 0.000 2.338 463 G HA2 -0.007 4.062 3.960 0.183 0.000 0.295 463 G HA3 -0.007 4.062 3.960 0.183 0.000 0.295 463 G C -0.471 174.523 174.900 0.156 0.000 1.461 463 G CA -0.653 44.534 45.100 0.145 0.000 0.817 463 G HN -0.026 nan 8.290 nan 0.000 0.556 464 E N -0.632 119.629 120.200 0.101 0.000 2.106 464 E HA -0.134 4.326 4.350 0.183 0.000 0.192 464 E C 2.000 178.625 176.600 0.041 0.000 0.984 464 E CA 1.295 57.730 56.400 0.057 0.000 0.806 464 E CB 0.055 29.775 29.700 0.033 0.000 0.750 464 E HN 0.382 nan 8.360 nan 0.000 0.458 465 N N -0.401 118.321 118.700 0.037 0.000 2.244 465 N HA -0.133 4.717 4.740 0.183 0.000 0.183 465 N C 1.213 176.622 175.510 -0.167 0.000 1.016 465 N CA 0.885 53.885 53.050 -0.084 0.000 0.866 465 N CB -0.242 38.158 38.487 -0.144 0.000 0.980 465 N HN 0.272 nan 8.380 nan 0.000 0.430 466 Y N 0.564 120.815 120.300 -0.081 0.000 2.263 466 Y HA -0.096 4.564 4.550 0.183 0.000 0.292 466 Y C 2.525 178.369 175.900 -0.093 0.000 1.130 466 Y CA 0.930 58.966 58.100 -0.107 0.000 1.179 466 Y CB -0.204 38.213 38.460 -0.071 0.000 0.998 466 Y HN 0.048 nan 8.280 nan 0.000 0.532 467 Q N 0.376 120.223 119.800 0.077 0.000 2.050 467 Q HA -0.195 4.255 4.340 0.183 0.000 0.202 467 Q C 2.151 178.140 176.000 -0.017 0.000 0.980 467 Q CA 1.579 57.398 55.803 0.026 0.000 0.840 467 Q CB -0.636 28.115 28.738 0.021 0.000 0.898 467 Q HN 0.444 nan 8.270 nan 0.000 0.424 468 L N -0.498 120.699 121.223 -0.044 0.000 1.989 468 L HA -0.167 4.282 4.340 0.183 0.000 0.211 468 L C 2.133 178.947 176.870 -0.093 0.000 1.071 468 L CA 1.856 56.657 54.840 -0.065 0.000 0.749 468 L CB -0.965 41.048 42.059 -0.077 0.000 0.890 468 L HN 0.222 nan 8.230 nan 0.000 0.431 469 V N -0.226 119.587 119.914 -0.169 0.000 2.287 469 V HA -0.356 3.873 4.120 0.183 0.000 0.248 469 V C 2.607 178.641 176.094 -0.100 0.000 1.053 469 V CA 2.319 64.485 62.300 -0.223 0.000 1.027 469 V CB -1.031 30.491 31.823 -0.501 0.000 0.646 469 V HN 0.534 nan 8.190 nan 0.000 0.447 470 K N 0.163 120.527 120.400 -0.060 0.000 2.032 470 K HA -0.194 4.236 4.320 0.183 0.000 0.209 470 K C 2.214 178.813 176.600 -0.002 0.000 1.048 470 K CA 2.160 58.446 56.287 -0.002 0.000 0.927 470 K CB -0.420 32.089 32.500 0.015 0.000 0.712 470 K HN 0.597 nan 8.250 nan 0.000 0.441 471 T N 1.933 116.480 114.554 -0.012 0.000 2.643 471 T HA -0.178 4.281 4.350 0.183 0.000 0.264 471 T C 1.715 176.411 174.700 -0.006 0.000 1.045 471 T CA 1.366 63.462 62.100 -0.008 0.000 1.155 471 T CB -0.456 68.406 68.868 -0.010 0.000 0.863 471 T HN 0.200 nan 8.240 nan 0.000 0.420 472 L N 1.881 123.095 121.223 -0.015 0.000 2.021 472 L HA -0.062 4.388 4.340 0.183 0.000 0.215 472 L C 2.543 179.417 176.870 0.007 0.000 1.074 472 L CA 2.358 57.193 54.840 -0.009 0.000 0.760 472 L CB -1.323 40.722 42.059 -0.023 0.000 0.889 472 L HN 0.324 nan 8.230 nan 0.000 0.433 473 G N -1.186 107.622 108.800 0.014 0.000 2.491 473 G HA2 -0.303 3.766 3.960 0.183 0.000 0.218 473 G HA3 -0.303 3.766 3.960 0.183 0.000 0.218 473 G C 1.432 176.352 174.900 0.033 0.000 1.180 473 G CA 0.943 46.069 45.100 0.042 0.000 0.774 473 G HN 0.588 nan 8.290 nan 0.000 0.562 474 E N -0.303 119.910 120.200 0.021 0.000 2.110 474 E HA -0.161 4.299 4.350 0.183 0.000 0.193 474 E C 2.485 179.095 176.600 0.016 0.000 0.988 474 E CA 1.126 57.536 56.400 0.016 0.000 0.804 474 E CB -0.104 29.601 29.700 0.009 0.000 0.745 474 E HN 0.434 nan 8.360 nan 0.000 0.458 475 Q N 1.002 120.810 119.800 0.013 0.000 2.050 475 Q HA -0.178 4.272 4.340 0.183 0.000 0.202 475 Q C 2.047 178.057 176.000 0.017 0.000 0.980 475 Q CA 1.167 56.977 55.803 0.012 0.000 0.840 475 Q CB -0.347 28.396 28.738 0.008 0.000 0.898 475 Q HN 0.215 nan 8.270 nan 0.000 0.424 476 L N 0.109 121.345 121.223 0.022 0.000 2.042 476 L HA -0.110 4.340 4.340 0.183 0.000 0.210 476 L C 2.135 179.026 176.870 0.035 0.000 1.076 476 L CA 1.667 56.524 54.840 0.029 0.000 0.749 476 L CB -0.710 41.371 42.059 0.037 0.000 0.893 476 L HN 0.400 nan 8.230 nan 0.000 0.432 477 I N -0.921 119.671 120.570 0.037 0.000 2.208 477 I HA -0.287 3.993 4.170 0.183 0.000 0.245 477 I C 2.444 178.579 176.117 0.030 0.000 1.097 477 I CA 1.271 62.594 61.300 0.039 0.000 1.363 477 I CB -0.389 37.633 38.000 0.036 0.000 1.051 477 I HN 0.309 nan 8.210 nan 0.000 0.413 478 E N 1.866 122.080 120.200 0.023 0.000 2.023 478 E HA -0.223 4.237 4.350 0.183 0.000 0.196 478 E C 1.859 178.470 176.600 0.018 0.000 1.003 478 E CA 1.794 58.204 56.400 0.018 0.000 0.809 478 E CB -0.245 29.463 29.700 0.013 0.000 0.755 478 E HN 0.349 nan 8.360 nan 0.000 0.449 479 N N -0.180 118.531 118.700 0.019 0.000 2.094 479 N HA -0.173 4.677 4.740 0.183 0.000 0.191 479 N C 1.992 177.515 175.510 0.021 0.000 1.023 479 N CA 1.540 54.600 53.050 0.018 0.000 0.857 479 N CB -0.993 37.505 38.487 0.018 0.000 1.013 479 N HN 0.272 nan 8.380 nan 0.000 0.426 480 C N 1.061 120.377 119.300 0.027 0.000 2.422 480 C HA -0.005 4.565 4.460 0.183 0.000 0.279 480 C C 2.449 177.456 174.990 0.028 0.000 1.305 480 C CA 0.216 59.253 59.018 0.032 0.000 1.757 480 C CB -0.686 27.079 27.740 0.043 0.000 1.962 480 C HN 0.476 nan 8.230 nan 0.000 0.499 481 K N 0.405 120.821 120.400 0.026 0.000 2.097 481 K HA -0.181 4.249 4.320 0.183 0.000 0.206 481 K C 2.196 178.806 176.600 0.017 0.000 1.049 481 K CA 1.423 57.722 56.287 0.022 0.000 0.933 481 K CB -0.168 32.344 32.500 0.019 0.000 0.717 481 K HN 0.655 nan 8.250 nan 0.000 0.442 482 Q N 0.079 119.888 119.800 0.015 0.000 2.083 482 Q HA -0.065 4.385 4.340 0.183 0.000 0.198 482 Q C 1.927 177.935 176.000 0.012 0.000 0.969 482 Q CA 1.125 56.935 55.803 0.012 0.000 0.838 482 Q CB 0.081 28.825 28.738 0.010 0.000 0.900 482 Q HN 0.090 nan 8.270 nan 0.000 0.436 483 V N 1.323 121.246 119.914 0.015 0.000 3.380 483 V HA -0.034 4.196 4.120 0.183 0.000 0.268 483 V C 1.213 177.317 176.094 0.017 0.000 1.168 483 V CA 0.336 62.645 62.300 0.015 0.000 1.156 483 V CB -0.614 31.219 31.823 0.017 0.000 0.785 483 V HN 0.301 nan 8.190 nan 0.000 0.487 484 L N 1.440 122.674 121.223 0.018 0.000 2.490 484 L HA 0.058 4.508 4.340 0.183 0.000 0.274 484 L C 0.791 177.669 176.870 0.014 0.000 1.201 484 L CA 0.482 55.333 54.840 0.018 0.000 0.869 484 L CB 0.141 42.211 42.059 0.018 0.000 1.123 484 L HN 0.423 nan 8.230 nan 0.000 0.484 485 D N 1.786 122.194 120.400 0.014 0.000 3.012 485 D HA -0.157 4.593 4.640 0.183 0.000 0.222 485 D C -0.766 175.540 176.300 0.009 0.000 1.167 485 D CA 0.568 54.574 54.000 0.011 0.000 0.854 485 D CB -1.228 39.578 40.800 0.009 0.000 1.107 485 D HN 0.151 nan 8.370 nan 0.000 0.421 486 V N 0.510 120.430 119.914 0.010 0.000 2.709 486 V HA 0.222 4.452 4.120 0.183 0.000 0.308 486 V C 0.046 176.144 176.094 0.006 0.000 1.062 486 V CA -1.005 61.299 62.300 0.007 0.000 0.901 486 V CB 2.441 34.268 31.823 0.007 0.000 1.003 486 V HN -0.127 nan 8.190 nan 0.000 0.425 487 D N 5.070 125.470 120.400 0.000 0.000 2.488 487 D HA 0.184 4.934 4.640 0.183 0.000 0.238 487 D C -2.298 173.999 176.300 -0.004 0.000 1.138 487 D CA -0.512 53.485 54.000 -0.004 0.000 0.873 487 D CB 0.868 41.658 40.800 -0.016 0.000 1.183 487 D HN 0.292 nan 8.370 nan 0.000 0.458 488 P HA 0.176 nan 4.420 nan 0.000 0.274 488 P C -0.627 176.673 177.300 -0.000 0.000 1.231 488 P CA -0.454 62.655 63.100 0.015 0.000 0.790 488 P CB 0.891 32.611 31.700 0.033 0.000 0.951 489 V N 2.948 122.870 119.914 0.014 0.000 2.876 489 V HA 0.371 4.601 4.120 0.183 0.000 0.312 489 V C -1.526 174.607 176.094 0.066 0.000 1.085 489 V CA -0.968 61.328 62.300 -0.007 0.000 0.945 489 V CB 1.885 33.690 31.823 -0.029 0.000 1.017 489 V HN 0.436 nan 8.190 nan 0.000 0.428 490 Y N 6.002 126.263 120.300 -0.064 0.000 2.504 490 Y HA 0.583 5.243 4.550 0.183 0.000 0.351 490 Y C -0.145 175.783 175.900 0.046 0.000 0.988 490 Y CA -0.260 57.858 58.100 0.030 0.000 1.239 490 Y CB 0.380 38.907 38.460 0.111 0.000 1.128 490 Y HN 0.583 nan 8.280 nan 0.000 0.525 491 K N 5.746 125.958 120.400 -0.313 0.000 2.613 491 K HA 0.197 4.627 4.320 0.183 0.000 0.248 491 K C -1.836 174.610 176.600 -0.256 0.000 0.959 491 K CA -0.655 55.415 56.287 -0.362 0.000 0.855 491 K CB 0.806 33.215 32.500 -0.152 0.000 1.143 491 K HN 0.731 nan 8.250 nan 0.000 0.437 492 D N 3.073 123.271 120.400 -0.337 0.000 2.249 492 D HA 0.148 4.898 4.640 0.183 0.000 0.246 492 D C 0.082 176.290 176.300 -0.154 0.000 1.114 492 D CA -0.221 53.688 54.000 -0.152 0.000 0.854 492 D CB 1.710 42.456 40.800 -0.090 0.000 1.132 492 D HN 0.204 nan 8.370 nan 0.000 0.461 493 V N 3.013 122.877 119.914 -0.083 0.000 3.556 493 V HA 0.333 4.563 4.120 0.183 0.000 0.287 493 V C 0.820 176.878 176.094 -0.060 0.000 1.422 493 V CA 0.353 62.609 62.300 -0.073 0.000 1.038 493 V CB -0.158 31.642 31.823 -0.038 0.000 0.850 493 V HN 0.772 nan 8.190 nan 0.000 0.437 494 A N 0.894 123.685 122.820 -0.048 0.000 2.586 494 A HA 0.032 4.462 4.320 0.183 0.000 0.231 494 A C 0.483 178.034 177.584 -0.055 0.000 1.055 494 A CA 0.510 52.525 52.037 -0.035 0.000 0.756 494 A CB -0.116 18.871 19.000 -0.021 0.000 0.988 494 A HN 0.403 nan 8.150 nan 0.000 0.509 495 K N 2.298 122.675 120.400 -0.038 0.000 2.383 495 K HA 0.254 4.684 4.320 0.183 0.000 0.286 495 K C -2.432 174.141 176.600 -0.046 0.000 1.051 495 K CA -1.344 54.919 56.287 -0.040 0.000 0.974 495 K CB 0.181 32.665 32.500 -0.026 0.000 0.968 495 K HN 0.401 nan 8.250 nan 0.000 0.475 496 P HA 0.004 nan 4.420 nan 0.000 0.268 496 P C -0.795 176.486 177.300 -0.031 0.000 1.204 496 P CA -0.162 62.903 63.100 -0.059 0.000 0.768 496 P CB 1.061 32.729 31.700 -0.054 0.000 0.842 497 T N -0.068 114.473 114.554 -0.023 0.000 2.907 497 T HA 0.853 5.313 4.350 0.183 0.000 0.290 497 T C -0.144 174.552 174.700 -0.007 0.000 1.066 497 T CA -0.807 61.283 62.100 -0.016 0.000 1.012 497 T CB 2.001 70.862 68.868 -0.013 0.000 1.184 497 T HN 0.390 nan 8.240 nan 0.000 0.522 498 G N 0.267 109.055 108.800 -0.020 0.000 2.725 498 G HA2 0.738 4.808 3.960 0.183 0.000 0.288 498 G HA3 0.738 4.808 3.960 0.183 0.000 0.288 498 G C -3.378 171.505 174.900 -0.028 0.000 1.399 498 G CA -1.742 43.348 45.100 -0.017 0.000 0.859 498 G HN 0.694 nan 8.290 nan 0.000 0.479 499 P HA 0.430 nan 4.420 nan 0.000 0.290 499 P C -1.089 176.170 177.300 -0.069 0.000 1.276 499 P CA -0.456 62.674 63.100 0.049 0.000 0.808 499 P CB 1.556 33.378 31.700 0.204 0.000 0.966 500 K N 1.574 121.809 120.400 -0.275 0.000 2.613 500 K HA 0.470 4.900 4.320 0.183 0.000 0.248 500 K C -1.156 175.359 176.600 -0.142 0.000 0.959 500 K CA -0.274 55.908 56.287 -0.175 0.000 0.855 500 K CB 0.922 33.316 32.500 -0.178 0.000 1.143 500 K HN 0.289 nan 8.250 nan 0.000 0.437 501 T N 1.889 116.469 114.554 0.042 0.000 2.824 501 T HA 0.749 5.209 4.350 0.183 0.000 0.280 501 T C -1.068 173.655 174.700 0.038 0.000 0.995 501 T CA -0.665 61.500 62.100 0.109 0.000 1.009 501 T CB 1.590 70.550 68.868 0.152 0.000 0.955 501 T HN 0.606 nan 8.240 nan 0.000 0.452 502 A N 3.138 125.979 122.820 0.035 0.000 2.408 502 A HA 0.732 5.162 4.320 0.183 0.000 0.295 502 A C -0.734 176.862 177.584 0.021 0.000 1.040 502 A CA -0.793 51.254 52.037 0.016 0.000 0.707 502 A CB 0.837 19.837 19.000 -0.001 0.000 1.235 502 A HN 0.849 nan 8.150 nan 0.000 0.418 503 I N 2.268 122.847 120.570 0.015 0.000 2.315 503 I HA 0.196 4.476 4.170 0.183 0.000 0.291 503 I C 0.312 176.433 176.117 0.007 0.000 1.006 503 I CA -0.724 60.584 61.300 0.012 0.000 1.265 503 I CB 1.037 39.043 38.000 0.010 0.000 1.387 503 I HN 0.657 nan 8.210 nan 0.000 0.475 504 D N 4.828 125.232 120.400 0.006 0.000 2.309 504 D HA -0.166 4.584 4.640 0.183 0.000 0.232 504 D C 0.977 177.277 176.300 -0.000 0.000 1.319 504 D CA 0.691 54.692 54.000 0.002 0.000 0.884 504 D CB 0.786 41.587 40.800 0.003 0.000 1.237 504 D HN 0.548 nan 8.370 nan 0.000 0.507 505 K N 0.520 120.919 120.400 -0.003 0.000 2.459 505 K HA 0.039 4.469 4.320 0.183 0.000 0.193 505 K C 0.699 177.296 176.600 -0.006 0.000 1.030 505 K CA 0.349 56.633 56.287 -0.005 0.000 1.026 505 K CB 0.105 32.601 32.500 -0.007 0.000 0.809 505 K HN 0.304 nan 8.250 nan 0.000 0.504 506 N N -0.207 118.490 118.700 -0.004 0.000 2.338 506 N HA 0.056 4.905 4.740 0.183 0.000 0.251 506 N C -0.380 175.130 175.510 -0.001 0.000 1.199 506 N CA 0.326 53.373 53.050 -0.004 0.000 0.879 506 N CB 1.247 39.730 38.487 -0.006 0.000 1.159 506 N HN 0.288 nan 8.380 nan 0.000 0.514 507 G N 1.556 110.356 108.800 0.000 0.000 2.176 507 G HA2 -0.235 3.835 3.960 0.183 0.000 0.252 507 G HA3 -0.235 3.835 3.960 0.183 0.000 0.252 507 G C -0.392 174.511 174.900 0.004 0.000 1.024 507 G CA -0.240 44.861 45.100 0.002 0.000 0.755 507 G HN 0.331 nan 8.290 nan 0.000 0.507 508 N N 0.612 119.315 118.700 0.006 0.000 2.437 508 N HA 0.386 5.236 4.740 0.183 0.000 0.243 508 N C 0.763 176.282 175.510 0.015 0.000 1.041 508 N CA -0.148 52.908 53.050 0.009 0.000 0.940 508 N CB 0.662 39.154 38.487 0.008 0.000 1.133 508 N HN 0.463 nan 8.380 nan 0.000 0.506 509 I N 0.838 121.419 120.570 0.019 0.000 2.452 509 I HA 0.163 4.443 4.170 0.183 0.000 0.287 509 I C 0.611 176.756 176.117 0.045 0.000 1.079 509 I CA 0.078 61.396 61.300 0.030 0.000 1.387 509 I CB 0.391 38.406 38.000 0.026 0.000 1.404 509 I HN 0.070 nan 8.210 nan 0.000 0.522 510 T N 5.229 119.817 114.554 0.058 0.000 2.861 510 T HA 0.410 4.870 4.350 0.183 0.000 0.287 510 T C -1.361 173.413 174.700 0.124 0.000 1.003 510 T CA -0.494 61.650 62.100 0.073 0.000 0.977 510 T CB 1.329 70.219 68.868 0.036 0.000 0.996 510 T HN 0.408 nan 8.240 nan 0.000 0.448 511 Y N 2.062 122.363 120.300 0.002 0.000 2.350 511 Y HA 0.662 5.322 4.550 0.183 0.000 0.338 511 Y C -0.214 175.689 175.900 0.005 0.000 0.961 511 Y CA -0.471 57.631 58.100 0.005 0.000 1.100 511 Y CB 1.608 40.074 38.460 0.010 0.000 1.179 511 Y HN 0.601 nan 8.280 nan 0.000 0.454 512 S N 3.814 119.155 115.700 -0.597 0.000 2.638 512 S HA 0.501 5.081 4.470 0.183 0.000 0.302 512 S C -1.491 172.679 174.600 -0.717 0.000 1.096 512 S CA -0.727 57.196 58.200 -0.462 0.000 0.953 512 S CB 1.504 64.559 63.200 -0.241 0.000 1.107 512 S HN 0.766 nan 8.310 nan 0.000 0.503 513 E N 1.545 121.536 120.200 -0.348 0.000 2.149 513 E HA 0.313 4.773 4.350 0.183 0.000 0.255 513 E C -0.933 175.585 176.600 -0.136 0.000 0.888 513 E CA -0.491 55.770 56.400 -0.232 0.000 0.742 513 E CB 0.592 30.245 29.700 -0.077 0.000 1.164 513 E HN 0.459 nan 8.360 nan 0.000 0.422 514 E N 3.458 123.578 120.200 -0.134 0.000 2.283 514 E HA 0.321 4.781 4.350 0.183 0.000 0.271 514 E C -2.327 174.239 176.600 -0.057 0.000 1.031 514 E CA -2.580 53.768 56.400 -0.086 0.000 0.868 514 E CB 0.653 30.302 29.700 -0.085 0.000 1.094 514 E HN 0.343 nan 8.360 nan 0.000 0.401 515 P HA 0.068 nan 4.420 nan 0.000 0.268 515 P C -0.284 176.999 177.300 -0.027 0.000 1.204 515 P CA 0.121 63.203 63.100 -0.030 0.000 0.768 515 P CB 0.468 32.153 31.700 -0.026 0.000 0.842 516 R N 2.675 123.163 120.500 -0.020 0.000 2.489 516 R HA 0.001 4.450 4.340 0.183 0.000 0.287 516 R C 1.428 177.722 176.300 -0.010 0.000 1.053 516 R CA 0.096 56.187 56.100 -0.014 0.000 1.036 516 R CB 0.301 30.600 30.300 -0.002 0.000 0.966 516 R HN 0.618 nan 8.270 nan 0.000 0.432 517 E N 2.859 123.053 120.200 -0.011 0.000 2.049 517 E HA -0.230 4.230 4.350 0.183 0.000 0.198 517 E C 0.738 177.336 176.600 -0.002 0.000 1.007 517 E CA 1.650 58.045 56.400 -0.008 0.000 0.809 517 E CB 0.232 29.927 29.700 -0.009 0.000 0.749 517 E HN 0.348 nan 8.360 nan 0.000 0.450 518 K N -0.389 120.012 120.400 0.002 0.000 2.410 518 K HA 0.179 4.609 4.320 0.183 0.000 0.200 518 K C -1.212 175.396 176.600 0.014 0.000 1.023 518 K CA -0.246 56.046 56.287 0.008 0.000 1.149 518 K CB 1.076 33.581 32.500 0.009 0.000 0.859 518 K HN -0.071 nan 8.250 nan 0.000 0.514 519 V N 0.413 120.335 119.914 0.013 0.000 2.577 519 V HA 0.334 4.564 4.120 0.183 0.000 0.303 519 V C 0.104 176.200 176.094 0.004 0.000 1.042 519 V CA -0.660 61.652 62.300 0.020 0.000 0.872 519 V CB 1.837 33.688 31.823 0.046 0.000 0.998 519 V HN 0.210 nan 8.190 nan 0.000 0.423 520 R N 2.033 122.531 120.500 -0.003 0.000 2.562 520 R HA 0.347 4.797 4.340 0.183 0.000 0.191 520 R C 0.289 176.567 176.300 -0.038 0.000 0.835 520 R CA -0.386 55.704 56.100 -0.017 0.000 1.036 520 R CB 0.648 30.943 30.300 -0.008 0.000 1.437 520 R HN 0.352 nan 8.270 nan 0.000 0.654 521 K N 1.315 121.688 120.400 -0.044 0.000 2.123 521 K HA 0.254 4.684 4.320 0.183 0.000 0.248 521 K C 0.885 177.407 176.600 -0.130 0.000 0.969 521 K CA -0.470 55.763 56.287 -0.090 0.000 0.882 521 K CB 1.561 34.009 32.500 -0.086 0.000 1.080 521 K HN -0.092 nan 8.250 nan 0.000 0.441 522 L N 1.275 122.359 121.223 -0.232 0.000 2.131 522 L HA -0.169 4.281 4.340 0.183 0.000 0.210 522 L C 2.396 179.127 176.870 -0.231 0.000 1.092 522 L CA 1.491 56.126 54.840 -0.341 0.000 0.759 522 L CB -1.162 40.514 42.059 -0.639 0.000 0.903 522 L HN 0.757 nan 8.230 nan 0.000 0.435 523 S N -0.090 115.421 115.700 -0.315 0.000 2.369 523 S HA -0.314 4.266 4.470 0.183 0.000 0.225 523 S C 1.873 176.385 174.600 -0.147 0.000 1.043 523 S CA 1.916 59.876 58.200 -0.402 0.000 1.074 523 S CB -0.135 62.678 63.200 -0.645 0.000 0.962 523 S HN 0.538 nan 8.310 nan 0.000 0.433 524 Q N -1.242 118.518 119.800 -0.066 0.000 2.291 524 Q HA -0.113 4.337 4.340 0.183 0.000 0.206 524 Q C 1.898 177.925 176.000 0.046 0.000 0.976 524 Q CA 1.575 57.380 55.803 0.003 0.000 0.875 524 Q CB -0.279 28.468 28.738 0.014 0.000 0.927 524 Q HN 0.893 nan 8.270 nan 0.000 0.450 525 Y N 0.107 120.364 120.300 -0.072 0.000 2.200 525 Y HA -0.189 4.471 4.550 0.183 0.000 0.290 525 Y C 1.926 177.856 175.900 0.051 0.000 1.137 525 Y CA 1.017 59.105 58.100 -0.021 0.000 1.163 525 Y CB -0.120 38.295 38.460 -0.075 0.000 0.988 525 Y HN -0.174 nan 8.280 nan 0.000 0.518 526 V N 0.754 120.673 119.914 0.010 0.000 2.407 526 V HA -0.331 3.899 4.120 0.183 0.000 0.248 526 V C 2.346 178.414 176.094 -0.043 0.000 1.055 526 V CA 2.302 64.590 62.300 -0.020 0.000 1.049 526 V CB -0.736 31.135 31.823 0.080 0.000 0.662 526 V HN 0.438 nan 8.190 nan 0.000 0.455 527 Q N -0.246 119.543 119.800 -0.019 0.000 2.084 527 Q HA -0.249 4.200 4.340 0.183 0.000 0.202 527 Q C 2.354 178.347 176.000 -0.012 0.000 0.978 527 Q CA 2.072 57.875 55.803 0.000 0.000 0.844 527 Q CB -0.177 28.572 28.738 0.018 0.000 0.898 527 Q HN 0.758 nan 8.270 nan 0.000 0.426 528 E N -0.435 119.749 120.200 -0.026 0.000 2.085 528 E HA -0.272 4.188 4.350 0.183 0.000 0.194 528 E C 1.757 178.384 176.600 0.045 0.000 0.994 528 E CA 1.392 57.795 56.400 0.005 0.000 0.801 528 E CB 0.014 29.714 29.700 0.001 0.000 0.743 528 E HN 0.269 nan 8.360 nan 0.000 0.453 529 M N 0.625 120.214 119.600 -0.019 0.000 2.086 529 M HA -0.067 4.522 4.480 0.183 0.000 0.261 529 M C 2.187 178.512 176.300 0.041 0.000 1.067 529 M CA 1.877 57.230 55.300 0.088 0.000 1.116 529 M CB -0.479 32.113 32.600 -0.014 0.000 1.348 529 M HN 0.273 nan 8.290 nan 0.000 0.407 530 A N -0.723 122.102 122.820 0.009 0.000 2.015 530 A HA -0.081 4.348 4.320 0.183 0.000 0.219 530 A C 2.137 179.684 177.584 -0.062 0.000 1.163 530 A CA 1.213 53.253 52.037 0.006 0.000 0.646 530 A CB -0.913 18.103 19.000 0.028 0.000 0.806 530 A HN 0.489 nan 8.150 nan 0.000 0.448 531 L N -1.461 119.710 121.223 -0.087 0.000 2.240 531 L HA 0.138 4.588 4.340 0.183 0.000 0.211 531 L C 1.735 178.440 176.870 -0.274 0.000 1.106 531 L CA 0.505 55.268 54.840 -0.128 0.000 0.793 531 L CB -1.248 40.766 42.059 -0.075 0.000 0.927 531 L HN 0.640 nan 8.230 nan 0.000 0.446 532 G N -0.335 108.172 108.800 -0.489 0.000 2.601 532 G HA2 -0.152 3.917 3.960 0.183 0.000 0.252 532 G HA3 -0.152 3.917 3.960 0.183 0.000 0.252 532 G C 0.042 174.501 174.900 -0.735 0.000 1.294 532 G CA -0.366 44.059 45.100 -1.124 0.000 0.912 532 G HN 0.553 nan 8.290 nan 0.000 0.574 533 G N -1.932 106.508 108.800 -0.601 0.000 3.015 533 G HA2 0.807 4.877 3.960 0.183 0.000 0.281 533 G HA3 0.807 4.877 3.960 0.183 0.000 0.281 533 G C -1.266 173.529 174.900 -0.175 0.000 1.386 533 G CA 0.246 45.261 45.100 -0.142 0.000 0.959 533 G HN 0.712 nan 8.290 nan 0.000 0.522 534 P HA -0.006 nan 4.420 nan 0.000 0.226 534 P C 1.538 178.748 177.300 -0.150 0.000 1.153 534 P CA 0.482 63.516 63.100 -0.111 0.000 0.777 534 P CB 0.542 32.203 31.700 -0.065 0.000 0.794 535 I N 0.188 120.668 120.570 -0.150 0.000 3.111 535 I HA -0.017 4.263 4.170 0.183 0.000 0.272 535 I C 0.451 176.264 176.117 -0.507 0.000 1.268 535 I CA 0.757 61.936 61.300 -0.202 0.000 1.467 535 I CB 0.073 38.029 38.000 -0.073 0.000 1.087 535 I HN -0.060 nan 8.210 nan 0.000 0.467 536 T N -0.546 113.681 114.554 -0.544 0.000 3.029 536 T HA 0.250 4.710 4.350 0.183 0.000 0.346 536 T C 0.423 174.858 174.700 -0.442 0.000 1.211 536 T CA -0.578 61.061 62.100 -0.768 0.000 1.009 536 T CB 0.777 69.255 68.868 -0.650 0.000 1.084 536 T HN 0.194 nan 8.240 nan 0.000 0.536 537 K N 2.522 122.709 120.400 -0.356 0.000 2.530 537 K HA 0.254 4.684 4.320 0.183 0.000 0.218 537 K C 0.913 177.431 176.600 -0.137 0.000 1.064 537 K CA -0.181 55.989 56.287 -0.195 0.000 1.084 537 K CB 0.070 32.491 32.500 -0.132 0.000 1.392 537 K HN 0.653 nan 8.250 nan 0.000 0.465 538 E N 0.356 120.510 120.200 -0.077 0.000 2.570 538 E HA -0.110 4.349 4.350 0.183 0.000 0.263 538 E C 0.713 177.292 176.600 -0.034 0.000 1.390 538 E CA 0.141 56.523 56.400 -0.030 0.000 1.115 538 E CB 0.281 29.988 29.700 0.013 0.000 0.970 538 E HN 0.137 nan 8.360 nan 0.000 0.545 539 S N -0.913 114.794 115.700 0.012 0.000 2.520 539 S HA -0.009 4.571 4.470 0.183 0.000 0.219 539 S C -0.322 174.345 174.600 0.111 0.000 1.028 539 S CA 0.091 58.313 58.200 0.037 0.000 0.921 539 S CB 0.036 63.286 63.200 0.083 0.000 0.844 539 S HN 0.490 nan 8.310 nan 0.000 0.495 600 D N 2.585 123.014 120.400 0.049 0.000 2.317 600 D HA 0.588 5.338 4.640 0.183 0.000 0.234 600 D C -0.623 175.701 176.300 0.040 0.000 1.112 600 D CA 0.130 54.159 54.000 0.049 0.000 0.840 600 D CB 1.562 42.382 40.800 0.033 0.000 1.078 600 D HN 0.522 nan 8.370 nan 0.000 0.486 601 V N 2.634 122.586 119.914 0.064 0.000 2.699 601 V HA 0.138 4.368 4.120 0.183 0.000 0.311 601 V C 0.325 176.450 176.094 0.051 0.000 1.160 601 V CA -0.888 61.439 62.300 0.045 0.000 1.313 601 V CB 0.026 31.889 31.823 0.065 0.000 1.553 601 V HN 0.381 nan 8.190 nan 0.000 0.630 602 E N 2.789 123.009 120.200 0.034 0.000 3.495 602 E HA -0.169 4.291 4.350 0.183 0.000 0.272 602 E C -0.271 176.349 176.600 0.032 0.000 0.845 602 E CA 0.772 57.190 56.400 0.030 0.000 0.974 602 E CB 0.004 29.714 29.700 0.017 0.000 0.919 602 E HN 0.771 nan 8.360 nan 0.000 0.556 603 D N 2.966 123.387 120.400 0.035 0.000 2.175 603 D HA 0.435 5.185 4.640 0.183 0.000 0.248 603 D C -0.011 176.301 176.300 0.019 0.000 1.047 603 D CA -0.152 53.867 54.000 0.032 0.000 0.883 603 D CB 1.557 42.377 40.800 0.033 0.000 1.180 603 D HN 0.425 nan 8.370 nan 0.000 0.438 604 A N 2.022 124.851 122.820 0.015 0.000 2.281 604 A HA 0.079 4.509 4.320 0.183 0.000 0.231 604 A C 1.325 178.912 177.584 0.005 0.000 1.317 604 A CA -0.084 51.958 52.037 0.008 0.000 0.959 604 A CB -0.958 18.046 19.000 0.007 0.000 0.900 604 A HN 0.664 nan 8.150 nan 0.000 0.497 605 L N -0.416 120.810 121.223 0.006 0.000 1.899 605 L HA -0.148 4.302 4.340 0.183 0.000 0.223 605 L C 1.232 178.100 176.870 -0.003 0.000 1.088 605 L CA 1.593 56.434 54.840 0.001 0.000 0.788 605 L CB -0.294 41.764 42.059 -0.002 0.000 0.889 605 L HN 0.464 nan 8.230 nan 0.000 0.431 606 D N -0.270 120.128 120.400 -0.004 0.000 2.413 606 D HA -0.057 4.693 4.640 0.183 0.000 0.237 606 D C 1.202 177.499 176.300 -0.004 0.000 1.171 606 D CA 0.200 54.197 54.000 -0.005 0.000 0.839 606 D CB 0.284 41.079 40.800 -0.007 0.000 0.950 606 D HN 0.493 nan 8.370 nan 0.000 0.499 607 K N 0.429 120.828 120.400 -0.003 0.000 2.325 607 K HA -0.017 4.413 4.320 0.183 0.000 0.203 607 K C -0.082 176.516 176.600 -0.003 0.000 1.128 607 K CA 0.241 56.526 56.287 -0.002 0.000 0.931 607 K CB 0.884 33.384 32.500 -0.001 0.000 1.125 607 K HN -0.149 nan 8.250 nan 0.000 0.487 608 D N 0.917 121.316 120.400 -0.003 0.000 2.328 608 D HA 0.262 5.012 4.640 0.183 0.000 0.243 608 D C -0.270 176.028 176.300 -0.003 0.000 1.324 608 D CA -0.277 53.721 54.000 -0.004 0.000 0.966 608 D CB 1.797 42.596 40.800 -0.003 0.000 1.324 608 D HN 0.056 nan 8.370 nan 0.000 0.549 609 S N 0.962 116.659 115.700 -0.006 0.000 2.356 609 S HA -0.139 4.441 4.470 0.183 0.000 0.223 609 S C 1.799 176.397 174.600 -0.004 0.000 1.032 609 S CA 1.603 59.800 58.200 -0.005 0.000 1.005 609 S CB -0.029 63.166 63.200 -0.008 0.000 0.867 609 S HN 0.625 nan 8.310 nan 0.000 0.449 610 T N 1.792 116.342 114.554 -0.007 0.000 2.685 610 T HA -0.188 4.272 4.350 0.183 0.000 0.268 610 T C 1.807 176.506 174.700 -0.001 0.000 1.034 610 T CA 1.572 63.669 62.100 -0.005 0.000 1.149 610 T CB -0.235 68.628 68.868 -0.008 0.000 0.860 610 T HN 0.379 nan 8.240 nan 0.000 0.449 611 K N 0.525 120.924 120.400 -0.001 0.000 2.026 611 K HA -0.107 4.322 4.320 0.183 0.000 0.208 611 K C 2.418 179.021 176.600 0.004 0.000 1.048 611 K CA 1.103 57.391 56.287 0.001 0.000 0.929 611 K CB 0.005 32.506 32.500 0.001 0.000 0.713 611 K HN 0.182 nan 8.250 nan 0.000 0.439 612 E N 0.419 120.622 120.200 0.005 0.000 2.110 612 E HA -0.152 4.308 4.350 0.183 0.000 0.193 612 E C 1.995 178.601 176.600 0.009 0.000 0.988 612 E CA 0.869 57.273 56.400 0.008 0.000 0.804 612 E CB -0.047 29.657 29.700 0.007 0.000 0.745 612 E HN 0.120 nan 8.360 nan 0.000 0.458 613 V N 1.235 121.153 119.914 0.006 0.000 2.407 613 V HA -0.248 3.982 4.120 0.183 0.000 0.248 613 V C 2.343 178.442 176.094 0.009 0.000 1.055 613 V CA 1.707 64.011 62.300 0.007 0.000 1.049 613 V CB -0.627 31.199 31.823 0.006 0.000 0.662 613 V HN 0.251 nan 8.190 nan 0.000 0.455 614 A N -0.663 122.161 122.820 0.007 0.000 2.066 614 A HA -0.158 4.272 4.320 0.183 0.000 0.218 614 A C 2.505 180.093 177.584 0.007 0.000 1.157 614 A CA 1.761 53.802 52.037 0.006 0.000 0.670 614 A CB -0.468 18.535 19.000 0.004 0.000 0.804 614 A HN 0.563 nan 8.150 nan 0.000 0.453 615 S N -0.414 115.291 115.700 0.009 0.000 2.414 615 S HA -0.023 4.557 4.470 0.183 0.000 0.227 615 S C 1.900 176.508 174.600 0.014 0.000 1.022 615 S CA 0.834 59.040 58.200 0.010 0.000 0.958 615 S CB -0.546 62.663 63.200 0.016 0.000 0.797 615 S HN 0.486 nan 8.310 nan 0.000 0.493 616 L N 1.495 122.727 121.223 0.015 0.000 2.021 616 L HA -0.091 4.359 4.340 0.183 0.000 0.215 616 L C -0.707 176.172 176.870 0.015 0.000 1.074 616 L CA 1.689 56.539 54.840 0.016 0.000 0.760 616 L CB -1.690 40.377 42.059 0.013 0.000 0.889 616 L HN 0.346 nan 8.230 nan 0.000 0.433 617 P HA -0.068 nan 4.420 nan 0.000 0.230 617 P C -0.412 176.892 177.300 0.006 0.000 1.158 617 P CA 0.873 63.979 63.100 0.009 0.000 0.769 617 P CB -0.110 31.595 31.700 0.008 0.000 0.807 618 N N 0.487 119.190 118.700 0.005 0.000 2.419 618 N HA 0.160 5.010 4.740 0.183 0.000 0.264 618 N C -0.198 175.310 175.510 -0.004 0.000 1.031 618 N CA -0.529 52.520 53.050 -0.002 0.000 0.951 618 N CB 0.733 39.215 38.487 -0.009 0.000 1.101 618 N HN -0.105 nan 8.380 nan 0.000 0.488 619 K N 1.457 121.851 120.400 -0.009 0.000 2.383 619 K HA 0.129 4.559 4.320 0.183 0.000 0.286 619 K C -0.401 176.175 176.600 -0.039 0.000 1.051 619 K CA -0.128 56.153 56.287 -0.010 0.000 0.974 619 K CB 0.481 32.977 32.500 -0.007 0.000 0.968 619 K HN 0.486 nan 8.250 nan 0.000 0.475 620 S N 2.275 117.941 115.700 -0.056 0.000 2.510 620 S HA 0.076 4.656 4.470 0.183 0.000 0.279 620 S C -0.156 174.353 174.600 -0.151 0.000 1.284 620 S CA -0.564 57.533 58.200 -0.172 0.000 1.059 620 S CB 0.771 63.755 63.200 -0.361 0.000 0.901 620 S HN 0.474 nan 8.310 nan 0.000 0.491 621 T N 4.307 118.769 114.554 -0.153 0.000 2.767 621 T HA 0.616 5.076 4.350 0.183 0.000 0.284 621 T C 0.137 174.756 174.700 -0.136 0.000 0.973 621 T CA -0.631 61.404 62.100 -0.107 0.000 0.996 621 T CB 0.034 68.858 68.868 -0.072 0.000 0.927 621 T HN 0.575 nan 8.240 nan 0.000 0.456 622 I N 0.118 120.633 120.570 -0.092 0.000 2.647 622 I HA 0.524 4.804 4.170 0.183 0.000 0.295 622 I C 0.661 176.763 176.117 -0.025 0.000 1.078 622 I CA -1.137 60.119 61.300 -0.073 0.000 1.048 622 I CB 2.371 40.334 38.000 -0.062 0.000 1.239 622 I HN 0.635 nan 8.210 nan 0.000 0.421 623 S N 3.080 118.769 115.700 -0.018 0.000 2.545 623 S HA 0.056 4.636 4.470 0.183 0.000 0.232 623 S C 0.758 175.364 174.600 0.009 0.000 1.070 623 S CA -0.226 57.972 58.200 -0.004 0.000 0.923 623 S CB -0.226 62.969 63.200 -0.008 0.000 0.806 623 S HN 0.773 nan 8.310 nan 0.000 0.506 624 K N 2.750 123.157 120.400 0.011 0.000 2.083 624 K HA 0.280 4.710 4.320 0.183 0.000 0.246 624 K C -0.670 175.956 176.600 0.042 0.000 1.160 624 K CA -0.120 56.182 56.287 0.024 0.000 1.060 624 K CB -0.361 32.153 32.500 0.023 0.000 1.417 624 K HN -0.095 nan 8.250 nan 0.000 0.329 625 T N 1.969 116.549 114.554 0.042 0.000 2.908 625 T HA -0.051 4.409 4.350 0.183 0.000 0.301 625 T C 1.599 176.336 174.700 0.062 0.000 1.019 625 T CA -0.219 61.915 62.100 0.057 0.000 1.152 625 T CB 0.813 69.710 68.868 0.048 0.000 0.966 625 T HN 0.377 nan 8.240 nan 0.000 0.540 626 V N 4.249 124.209 119.914 0.077 0.000 2.568 626 V HA -0.180 4.050 4.120 0.183 0.000 0.253 626 V C 2.641 178.770 176.094 0.059 0.000 1.072 626 V CA 2.247 64.589 62.300 0.070 0.000 1.084 626 V CB -0.684 31.183 31.823 0.075 0.000 0.676 626 V HN 1.103 nan 8.190 nan 0.000 0.469 627 S N 1.047 116.784 115.700 0.062 0.000 2.383 627 S HA -0.219 4.361 4.470 0.183 0.000 0.229 627 S C 1.994 176.628 174.600 0.057 0.000 1.030 627 S CA 1.848 60.088 58.200 0.067 0.000 1.002 627 S CB -0.709 62.532 63.200 0.068 0.000 0.829 627 S HN 0.777 nan 8.310 nan 0.000 0.467 628 S N 0.413 116.141 115.700 0.047 0.000 2.607 628 S HA 0.035 4.615 4.470 0.183 0.000 0.224 628 S C 1.343 175.961 174.600 0.030 0.000 0.969 628 S CA 0.700 58.922 58.200 0.037 0.000 0.927 628 S CB -0.897 62.322 63.200 0.031 0.000 0.772 628 S HN 0.650 nan 8.310 nan 0.000 0.533 629 T N 1.766 116.339 114.554 0.032 0.000 3.067 629 T HA 0.327 4.787 4.350 0.183 0.000 0.257 629 T C 0.676 175.383 174.700 0.011 0.000 1.105 629 T CA -0.139 61.974 62.100 0.020 0.000 1.104 629 T CB -0.364 68.517 68.868 0.021 0.000 0.925 629 T HN 0.428 nan 8.240 nan 0.000 0.498 630 I N 3.589 124.173 120.570 0.023 0.000 2.664 630 I HA 0.089 4.369 4.170 0.183 0.000 0.284 630 I C -2.116 174.004 176.117 0.005 0.000 1.154 630 I CA -1.851 59.459 61.300 0.017 0.000 1.402 630 I CB 0.108 38.147 38.000 0.065 0.000 1.395 630 I HN -0.032 nan 8.210 nan 0.000 0.545 631 P HA 0.079 nan 4.420 nan 0.000 0.269 631 P C -0.557 176.735 177.300 -0.015 0.000 1.217 631 P CA -0.221 62.861 63.100 -0.029 0.000 0.783 631 P CB 0.425 32.089 31.700 -0.060 0.000 0.898 632 R N 1.807 122.302 120.500 -0.009 0.000 2.543 632 R HA 0.069 4.519 4.340 0.183 0.000 0.277 632 R C 0.243 176.533 176.300 -0.017 0.000 1.074 632 R CA -0.054 56.048 56.100 0.002 0.000 1.076 632 R CB -0.217 30.084 30.300 0.002 0.000 0.993 632 R HN 0.566 nan 8.270 nan 0.000 0.459 633 E N -0.692 119.505 120.200 -0.006 0.000 2.416 633 E HA -0.175 4.285 4.350 0.183 0.000 0.249 633 E C -1.158 175.386 176.600 -0.092 0.000 1.124 633 E CA 0.790 57.169 56.400 -0.034 0.000 0.732 633 E CB -1.335 28.345 29.700 -0.033 0.000 1.286 633 E HN 0.663 nan 8.360 nan 0.000 0.394 634 T N 0.491 114.972 114.554 -0.123 0.000 3.032 634 T HA 0.544 5.004 4.350 0.183 0.000 0.312 634 T C 0.075 174.565 174.700 -0.349 0.000 1.078 634 T CA -0.818 61.151 62.100 -0.219 0.000 1.028 634 T CB 1.126 69.882 68.868 -0.187 0.000 1.091 634 T HN 0.285 nan 8.240 nan 0.000 0.457 635 I N 1.267 121.545 120.570 -0.486 0.000 2.315 635 I HA 0.468 4.748 4.170 0.183 0.000 0.291 635 I C -2.748 173.142 176.117 -0.379 0.000 1.006 635 I CA -2.815 58.041 61.300 -0.740 0.000 1.265 635 I CB 0.735 38.291 38.000 -0.740 0.000 1.387 635 I HN 0.227 nan 8.210 nan 0.000 0.475 636 P HA 0.062 nan 4.420 nan 0.000 0.269 636 P C 0.279 177.661 177.300 0.137 0.000 1.217 636 P CA -0.068 62.999 63.100 -0.054 0.000 0.783 636 P CB 0.383 32.162 31.700 0.132 0.000 0.898 637 F N 0.224 120.276 119.950 0.171 0.000 2.408 637 F HA 0.004 4.641 4.527 0.183 0.000 0.300 637 F C 1.015 176.982 175.800 0.278 0.000 1.090 637 F CA 1.204 59.340 58.000 0.227 0.000 1.427 637 F CB -0.440 38.666 39.000 0.176 0.000 1.070 637 F HN 0.106 nan 8.300 nan 0.000 0.549 638 L N 0.536 122.024 121.223 0.442 0.000 2.385 638 L HA 0.430 4.880 4.340 0.183 0.000 0.273 638 L C -0.445 176.678 176.870 0.422 0.000 0.990 638 L CA -0.704 54.359 54.840 0.372 0.000 0.821 638 L CB 2.043 44.377 42.059 0.458 0.000 1.279 638 L HN 0.092 nan 8.230 nan 0.000 0.412 639 H N 2.419 121.672 119.070 0.306 0.000 3.042 639 H HA 0.545 5.211 4.556 0.183 0.000 0.346 639 H C -1.792 173.616 175.328 0.134 0.000 1.294 639 H CA -1.020 55.215 56.048 0.312 0.000 1.141 639 H CB 1.698 31.718 29.762 0.429 0.000 1.872 639 H HN 0.390 nan 8.280 nan 0.000 0.541 640 L N 1.454 122.846 121.223 0.281 0.000 2.387 640 L HA 0.572 5.022 4.340 0.183 0.000 0.266 640 L C 0.426 177.448 176.870 0.254 0.000 1.059 640 L CA -0.877 54.030 54.840 0.111 0.000 0.801 640 L CB 1.415 43.490 42.059 0.027 0.000 1.223 640 L HN 0.551 nan 8.230 nan 0.000 0.456 641 R N 0.815 121.433 120.500 0.197 0.000 2.888 641 R HA 0.531 4.981 4.340 0.183 0.000 0.266 641 R C -1.122 175.342 176.300 0.274 0.000 1.020 641 R CA -0.949 55.314 56.100 0.272 0.000 0.963 641 R CB 2.769 33.284 30.300 0.358 0.000 1.197 641 R HN 0.428 nan 8.270 nan 0.000 0.481 642 K N 1.601 122.097 120.400 0.160 0.000 2.443 642 K HA 0.229 4.659 4.320 0.183 0.000 0.252 642 K C -1.176 175.224 176.600 -0.333 0.000 0.933 642 K CA -0.667 55.593 56.287 -0.045 0.000 0.792 642 K CB 1.883 34.337 32.500 -0.078 0.000 1.185 642 K HN 0.353 nan 8.250 nan 0.000 0.425 643 K N 3.160 123.055 120.400 -0.842 0.000 2.349 643 K HA 0.035 4.465 4.320 0.183 0.000 0.289 643 K C -0.263 176.015 176.600 -0.537 0.000 1.064 643 K CA 0.001 55.609 56.287 -1.132 0.000 0.947 643 K CB 0.909 32.400 32.500 -1.682 0.000 1.007 643 K HN 0.754 nan 8.250 nan 0.000 0.478 644 T N 4.016 118.343 114.554 -0.378 0.000 2.900 644 T HA 0.129 4.589 4.350 0.183 0.000 0.307 644 T C -1.692 172.880 174.700 -0.212 0.000 1.065 644 T CA -1.382 60.583 62.100 -0.224 0.000 1.105 644 T CB 0.748 69.531 68.868 -0.143 0.000 0.979 644 T HN 0.432 nan 8.240 nan 0.000 0.544 645 P HA -0.029 nan 4.420 nan 0.000 0.218 645 P C 1.401 178.641 177.300 -0.100 0.000 1.148 645 P CA 1.332 64.359 63.100 -0.121 0.000 0.822 645 P CB -0.184 31.462 31.700 -0.090 0.000 0.784 646 A N -0.873 121.894 122.820 -0.089 0.000 1.986 646 A HA 0.034 4.464 4.320 0.183 0.000 0.220 646 A C 1.984 179.526 177.584 -0.070 0.000 1.171 646 A CA 2.183 54.181 52.037 -0.065 0.000 0.640 646 A CB -1.377 17.592 19.000 -0.051 0.000 0.811 646 A HN 0.316 nan 8.150 nan 0.000 0.451 647 G N -1.800 106.928 108.800 -0.119 0.000 2.260 647 G HA2 -0.113 3.957 3.960 0.183 0.000 0.179 647 G HA3 -0.113 3.957 3.960 0.183 0.000 0.179 647 G C -0.426 174.378 174.900 -0.159 0.000 1.002 647 G CA 0.179 45.201 45.100 -0.130 0.000 0.677 647 G HN 0.516 nan 8.290 nan 0.000 0.486 648 D N -0.337 119.982 120.400 -0.135 0.000 2.312 648 D HA 0.475 5.225 4.640 0.183 0.000 0.248 648 D C -0.362 175.837 176.300 -0.169 0.000 1.086 648 D CA -0.170 53.797 54.000 -0.054 0.000 0.948 648 D CB 0.650 41.456 40.800 0.011 0.000 1.162 648 D HN 0.248 nan 8.370 nan 0.000 0.446 649 W N 1.284 122.570 121.300 -0.024 0.000 2.253 649 W HA 0.272 5.042 4.660 0.183 0.000 0.348 649 W C 0.451 176.975 176.519 0.009 0.000 0.920 649 W CA -0.627 56.694 57.345 -0.040 0.000 1.518 649 W CB 0.513 29.919 29.460 -0.090 0.000 1.446 649 W HN -0.077 nan 8.180 nan 0.000 0.361 650 K N 1.196 121.684 120.400 0.146 0.000 2.106 650 K HA 0.281 4.711 4.320 0.183 0.000 0.246 650 K C -0.539 176.163 176.600 0.170 0.000 0.987 650 K CA -1.282 55.093 56.287 0.147 0.000 0.904 650 K CB 1.054 33.602 32.500 0.080 0.000 1.071 650 K HN 0.192 nan 8.250 nan 0.000 0.453 651 Y N 1.452 121.763 120.300 0.019 0.000 2.650 651 Y HA -0.033 4.627 4.550 0.183 0.000 0.331 651 Y C -0.545 175.347 175.900 -0.013 0.000 1.165 651 Y CA -0.044 58.019 58.100 -0.062 0.000 1.473 651 Y CB 0.322 38.613 38.460 -0.282 0.000 1.224 651 Y HN 0.481 nan 8.280 nan 0.000 0.533 652 D N 5.901 126.016 120.400 -0.474 0.000 2.414 652 D HA 0.223 4.973 4.640 0.183 0.000 0.232 652 D C 1.037 176.890 176.300 -0.746 0.000 1.070 652 D CA -0.494 53.193 54.000 -0.522 0.000 0.839 652 D CB 0.845 41.524 40.800 -0.202 0.000 1.079 652 D HN 0.724 nan 8.370 nan 0.000 0.521 653 R N 2.803 122.781 120.500 -0.870 0.000 2.117 653 R HA -0.197 4.252 4.340 0.183 0.000 0.243 653 R C 1.581 177.788 176.300 -0.155 0.000 1.143 653 R CA 1.615 57.422 56.100 -0.489 0.000 0.968 653 R CB 0.142 30.334 30.300 -0.181 0.000 0.863 653 R HN 0.622 nan 8.270 nan 0.000 0.444 654 Q N 0.249 119.974 119.800 -0.126 0.000 1.967 654 Q HA -0.182 4.268 4.340 0.183 0.000 0.202 654 Q C 2.335 178.335 176.000 0.000 0.000 0.985 654 Q CA 1.911 57.690 55.803 -0.039 0.000 0.839 654 Q CB -0.152 28.563 28.738 -0.038 0.000 0.906 654 Q HN 0.394 nan 8.270 nan 0.000 0.423 655 L N 0.175 121.388 121.223 -0.015 0.000 2.043 655 L HA -0.249 4.201 4.340 0.183 0.000 0.212 655 L C 2.483 179.425 176.870 0.120 0.000 1.075 655 L CA 1.188 56.053 54.840 0.042 0.000 0.752 655 L CB -0.427 41.645 42.059 0.021 0.000 0.891 655 L HN 0.178 nan 8.230 nan 0.000 0.432 656 S N -0.979 114.791 115.700 0.118 0.000 2.419 656 S HA -0.141 4.439 4.470 0.183 0.000 0.233 656 S C 2.165 176.920 174.600 0.258 0.000 1.016 656 S CA 1.329 59.693 58.200 0.273 0.000 0.974 656 S CB -0.040 63.378 63.200 0.363 0.000 0.786 656 S HN 0.361 nan 8.310 nan 0.000 0.492 657 S N 1.496 117.290 115.700 0.157 0.000 2.377 657 S HA 0.130 4.710 4.470 0.183 0.000 0.223 657 S C 1.756 176.430 174.600 0.123 0.000 1.030 657 S CA 0.396 58.672 58.200 0.126 0.000 0.970 657 S CB -0.387 62.863 63.200 0.083 0.000 0.830 657 S HN 0.383 nan 8.310 nan 0.000 0.473 658 L N 0.323 121.622 121.223 0.126 0.000 2.013 658 L HA -0.188 4.262 4.340 0.183 0.000 0.212 658 L C 2.223 179.198 176.870 0.175 0.000 1.073 658 L CA 1.739 56.656 54.840 0.128 0.000 0.753 658 L CB -0.285 41.846 42.059 0.120 0.000 0.890 658 L HN 0.323 nan 8.230 nan 0.000 0.432 659 F N -0.024 119.967 119.950 0.069 0.000 2.128 659 F HA -0.179 4.458 4.527 0.183 0.000 0.295 659 F C 2.075 177.924 175.800 0.082 0.000 1.100 659 F CA 1.543 59.586 58.000 0.071 0.000 1.260 659 F CB -0.311 38.739 39.000 0.083 0.000 1.009 659 F HN -0.073 nan 8.300 nan 0.000 0.476 660 L N -0.132 121.067 121.223 -0.039 0.000 2.141 660 L HA -0.176 4.274 4.340 0.183 0.000 0.209 660 L C 2.057 178.884 176.870 -0.072 0.000 1.094 660 L CA 1.219 55.986 54.840 -0.121 0.000 0.763 660 L CB -0.683 41.410 42.059 0.056 0.000 0.908 660 L HN 0.048 nan 8.230 nan 0.000 0.437 661 D N -0.144 120.254 120.400 -0.002 0.000 2.144 661 D HA -0.113 4.637 4.640 0.183 0.000 0.200 661 D C 2.123 178.430 176.300 0.012 0.000 0.978 661 D CA 1.355 55.372 54.000 0.028 0.000 0.833 661 D CB -0.308 40.523 40.800 0.051 0.000 0.961 661 D HN 0.296 nan 8.370 nan 0.000 0.470 662 G N 0.913 109.700 108.800 -0.021 0.000 2.459 662 G HA2 -0.245 3.825 3.960 0.183 0.000 0.217 662 G HA3 -0.245 3.825 3.960 0.183 0.000 0.217 662 G C 1.561 176.416 174.900 -0.074 0.000 1.183 662 G CA 0.472 45.553 45.100 -0.031 0.000 0.776 662 G HN 0.173 nan 8.290 nan 0.000 0.552 663 L N 0.829 121.931 121.223 -0.201 0.000 2.042 663 L HA -0.074 4.376 4.340 0.183 0.000 0.210 663 L C 2.657 179.582 176.870 0.092 0.000 1.076 663 L CA 2.104 56.853 54.840 -0.151 0.000 0.749 663 L CB -0.852 41.062 42.059 -0.242 0.000 0.893 663 L HN 0.488 nan 8.230 nan 0.000 0.432 664 E N -0.276 119.955 120.200 0.052 0.000 2.031 664 E HA -0.289 4.171 4.350 0.183 0.000 0.193 664 E C 2.264 178.929 176.600 0.108 0.000 0.994 664 E CA 1.399 57.835 56.400 0.062 0.000 0.800 664 E CB -0.086 29.676 29.700 0.104 0.000 0.752 664 E HN 0.371 nan 8.360 nan 0.000 0.447 665 K N -0.229 120.253 120.400 0.137 0.000 2.211 665 K HA -0.137 4.293 4.320 0.183 0.000 0.204 665 K C 1.833 178.506 176.600 0.121 0.000 1.047 665 K CA 1.036 57.419 56.287 0.161 0.000 0.935 665 K CB -0.094 32.465 32.500 0.099 0.000 0.728 665 K HN 0.186 nan 8.250 nan 0.000 0.452 666 A N 0.277 123.150 122.820 0.089 0.000 2.067 666 A HA 0.085 4.515 4.320 0.183 0.000 0.217 666 A C 2.091 179.736 177.584 0.101 0.000 1.156 666 A CA 1.181 53.269 52.037 0.085 0.000 0.683 666 A CB -0.235 18.809 19.000 0.074 0.000 0.808 666 A HN 0.387 nan 8.150 nan 0.000 0.455 667 A N -1.337 121.527 122.820 0.075 0.000 1.970 667 A HA 0.184 4.614 4.320 0.183 0.000 0.216 667 A C 1.884 179.362 177.584 -0.177 0.000 1.170 667 A CA 0.996 52.961 52.037 -0.121 0.000 0.645 667 A CB -0.496 18.326 19.000 -0.297 0.000 0.816 667 A HN 0.494 nan 8.150 nan 0.000 0.447 668 F N -0.363 119.595 119.950 0.013 0.000 2.317 668 F HA 0.010 4.647 4.527 0.183 0.000 0.290 668 F C 2.069 177.859 175.800 -0.017 0.000 1.075 668 F CA 0.678 58.675 58.000 -0.005 0.000 1.380 668 F CB 0.205 39.209 39.000 0.005 0.000 1.093 668 F HN 0.179 nan 8.300 nan 0.000 0.524 669 N N -0.561 118.244 118.700 0.175 0.000 2.414 669 N HA 0.215 5.065 4.740 0.183 0.000 0.177 669 N C 0.807 176.326 175.510 0.016 0.000 1.062 669 N CA 1.090 54.187 53.050 0.079 0.000 0.890 669 N CB 0.182 38.705 38.487 0.060 0.000 1.070 669 N HN 0.241 nan 8.380 nan 0.000 0.454 670 G N 0.264 109.059 108.800 -0.007 0.000 2.781 670 G HA2 -0.147 3.923 3.960 0.183 0.000 0.683 670 G HA3 -0.147 3.923 3.960 0.183 0.000 0.683 670 G C -0.900 173.959 174.900 -0.068 0.000 1.390 670 G CA -0.382 44.674 45.100 -0.074 0.000 0.850 670 G HN 0.094 nan 8.290 nan 0.000 0.557 671 V N -0.276 119.572 119.914 -0.110 0.000 2.680 671 V HA 0.799 5.029 4.120 0.183 0.000 0.309 671 V C 0.707 176.532 176.094 -0.449 0.000 1.052 671 V CA -0.031 62.120 62.300 -0.249 0.000 0.908 671 V CB 1.755 33.390 31.823 -0.314 0.000 1.001 671 V HN 1.290 nan 8.190 nan 0.000 0.431 672 T N 2.246 116.553 114.554 -0.412 0.000 2.907 672 T HA 0.609 5.069 4.350 0.183 0.000 0.284 672 T C -0.366 174.002 174.700 -0.554 0.000 1.004 672 T CA -0.068 61.804 62.100 -0.379 0.000 1.063 672 T CB 0.370 69.148 68.868 -0.150 0.000 0.992 672 T HN 0.442 nan 8.240 nan 0.000 0.483 673 F N 1.957 121.909 119.950 0.004 0.000 2.764 673 F HA 0.409 5.046 4.527 0.183 0.000 0.310 673 F C 0.916 176.670 175.800 -0.077 0.000 1.124 673 F CA -0.827 57.149 58.000 -0.041 0.000 1.252 673 F CB 0.122 39.084 39.000 -0.064 0.000 1.010 673 F HN 0.447 nan 8.300 nan 0.000 0.518 674 K N 1.466 121.895 120.400 0.049 0.000 2.524 674 K HA -0.095 4.335 4.320 0.183 0.000 0.279 674 K C 0.161 176.741 176.600 -0.034 0.000 0.993 674 K CA 0.961 57.244 56.287 -0.005 0.000 1.030 674 K CB 0.251 32.746 32.500 -0.008 0.000 0.891 674 K HN 0.285 nan 8.250 nan 0.000 0.488 675 D N 0.766 121.096 120.400 -0.116 0.000 3.028 675 D HA -0.166 4.584 4.640 0.183 0.000 0.207 675 D C -0.590 175.618 176.300 -0.154 0.000 1.100 675 D CA 1.213 55.140 54.000 -0.122 0.000 0.995 675 D CB -0.620 40.176 40.800 -0.006 0.000 1.108 675 D HN 0.649 nan 8.370 nan 0.000 0.421 676 K N 0.346 120.622 120.400 -0.207 0.000 2.211 676 K HA 0.335 4.765 4.320 0.183 0.000 0.275 676 K C -0.810 175.546 176.600 -0.407 0.000 1.024 676 K CA -0.438 55.753 56.287 -0.160 0.000 0.887 676 K CB 0.586 33.062 32.500 -0.039 0.000 1.084 676 K HN -0.115 nan 8.250 nan 0.000 0.463 677 Y N 2.732 122.896 120.300 -0.225 0.000 2.335 677 Y HA 0.319 4.979 4.550 0.183 0.000 0.339 677 Y C -0.259 175.531 175.900 -0.184 0.000 0.987 677 Y CA -0.755 57.147 58.100 -0.329 0.000 1.140 677 Y CB 1.572 39.770 38.460 -0.436 0.000 1.173 677 Y HN 0.118 nan 8.280 nan 0.000 0.486 678 V N 5.169 125.050 119.914 -0.055 0.000 2.656 678 V HA 0.371 4.601 4.120 0.183 0.000 0.307 678 V C -1.033 175.074 176.094 0.021 0.000 1.051 678 V CA -0.913 61.361 62.300 -0.044 0.000 0.893 678 V CB 2.086 33.825 31.823 -0.140 0.000 0.999 678 V HN 0.490 nan 8.190 nan 0.000 0.426 679 L N 5.886 127.111 121.223 0.003 0.000 2.287 679 L HA 0.713 5.163 4.340 0.183 0.000 0.287 679 L C -0.788 176.042 176.870 -0.067 0.000 1.022 679 L CA -0.049 54.784 54.840 -0.012 0.000 0.814 679 L CB 1.067 43.115 42.059 -0.018 0.000 1.217 679 L HN 0.696 nan 8.230 nan 0.000 0.420 680 I N 4.742 125.269 120.570 -0.072 0.000 2.468 680 I HA 0.462 4.742 4.170 0.183 0.000 0.285 680 I C -0.633 175.459 176.117 -0.043 0.000 1.039 680 I CA -0.119 61.123 61.300 -0.095 0.000 1.074 680 I CB 1.825 39.739 38.000 -0.142 0.000 1.228 680 I HN 0.826 nan 8.210 nan 0.000 0.436 681 T N 2.081 116.633 114.554 -0.003 0.000 2.859 681 T HA 0.682 5.141 4.350 0.183 0.000 0.281 681 T C 0.665 175.447 174.700 0.136 0.000 1.005 681 T CA 0.134 62.283 62.100 0.083 0.000 1.025 681 T CB 1.697 70.643 68.868 0.130 0.000 0.977 681 T HN 1.141 nan 8.240 nan 0.000 0.458 682 G N 1.097 109.992 108.800 0.158 0.000 2.141 682 G HA2 -0.015 4.055 3.960 0.183 0.000 0.231 682 G HA3 -0.015 4.055 3.960 0.183 0.000 0.231 682 G C 0.498 175.490 174.900 0.154 0.000 0.984 682 G CA -0.219 44.983 45.100 0.170 0.000 0.660 682 G HN 1.558 nan 8.290 nan 0.000 0.525 683 A N 0.558 123.465 122.820 0.146 0.000 2.734 683 A HA 0.698 5.128 4.320 0.183 0.000 0.279 683 A C 1.469 179.187 177.584 0.224 0.000 1.386 683 A CA 1.152 53.284 52.037 0.157 0.000 0.987 683 A CB -0.458 18.623 19.000 0.135 0.000 1.041 683 A HN 1.687 nan 8.150 nan 0.000 0.569 684 G N -0.048 108.843 108.800 0.152 0.000 2.716 684 G HA2 0.276 4.346 3.960 0.183 0.000 0.251 684 G HA3 0.276 4.346 3.960 0.183 0.000 0.251 684 G C 0.233 175.097 174.900 -0.059 0.000 1.224 684 G CA -0.448 44.690 45.100 0.063 0.000 0.891 684 G HN 0.648 nan 8.290 nan 0.000 0.561 685 K N -0.531 119.660 120.400 -0.349 0.000 2.469 685 K HA 0.349 4.779 4.320 0.183 0.000 0.274 685 K C 1.083 177.592 176.600 -0.151 0.000 0.983 685 K CA 0.668 56.695 56.287 -0.433 0.000 0.974 685 K CB -0.014 32.004 32.500 -0.804 0.000 0.913 685 K HN 1.353 nan 8.250 nan 0.000 0.493 686 G N 2.037 110.804 108.800 -0.055 0.000 2.314 686 G HA2 -0.247 3.823 3.960 0.183 0.000 0.292 686 G HA3 -0.247 3.823 3.960 0.183 0.000 0.292 686 G C -0.382 174.522 174.900 0.006 0.000 1.059 686 G CA 0.604 45.696 45.100 -0.013 0.000 0.982 686 G HN 0.952 nan 8.290 nan 0.000 0.505 687 S N -1.671 114.048 115.700 0.032 0.000 2.607 687 S HA 0.689 5.269 4.470 0.183 0.000 0.273 687 S C 1.141 175.783 174.600 0.071 0.000 1.148 687 S CA -0.460 57.770 58.200 0.050 0.000 0.833 687 S CB 1.260 64.495 63.200 0.058 0.000 1.130 687 S HN 0.344 nan 8.310 nan 0.000 0.470 688 I N 1.249 121.875 120.570 0.094 0.000 2.335 688 I HA -0.089 4.191 4.170 0.183 0.000 0.251 688 I C 2.609 178.773 176.117 0.078 0.000 1.129 688 I CA 1.672 63.036 61.300 0.108 0.000 1.402 688 I CB -1.215 36.890 38.000 0.174 0.000 1.069 688 I HN 0.937 nan 8.210 nan 0.000 0.424 689 G N 1.177 110.035 108.800 0.096 0.000 2.514 689 G HA2 -0.307 3.763 3.960 0.183 0.000 0.217 689 G HA3 -0.307 3.763 3.960 0.183 0.000 0.217 689 G C 1.840 176.750 174.900 0.017 0.000 1.198 689 G CA 1.000 46.116 45.100 0.027 0.000 0.780 689 G HN 0.503 nan 8.290 nan 0.000 0.565 690 A N 0.012 122.876 122.820 0.074 0.000 2.067 690 A HA 0.056 4.486 4.320 0.183 0.000 0.219 690 A C 2.228 179.822 177.584 0.016 0.000 1.158 690 A CA 1.818 53.916 52.037 0.102 0.000 0.661 690 A CB -0.186 18.922 19.000 0.179 0.000 0.801 690 A HN 0.332 nan 8.150 nan 0.000 0.452 691 E N -0.307 119.891 120.200 -0.004 0.000 2.112 691 E HA -0.053 4.407 4.350 0.183 0.000 0.190 691 E C 2.133 178.673 176.600 -0.100 0.000 0.979 691 E CA 0.980 57.355 56.400 -0.042 0.000 0.814 691 E CB -0.423 29.281 29.700 0.007 0.000 0.762 691 E HN 0.383 nan 8.360 nan 0.000 0.460 692 V N 1.730 121.576 119.914 -0.113 0.000 2.427 692 V HA -0.217 4.013 4.120 0.183 0.000 0.248 692 V C 2.444 178.397 176.094 -0.234 0.000 1.051 692 V CA 1.285 63.461 62.300 -0.206 0.000 1.048 692 V CB -0.434 31.245 31.823 -0.241 0.000 0.666 692 V HN 0.168 nan 8.190 nan 0.000 0.456 693 L N 0.028 121.162 121.223 -0.148 0.000 2.056 693 L HA -0.191 4.259 4.340 0.183 0.000 0.207 693 L C 2.390 179.187 176.870 -0.120 0.000 1.078 693 L CA 1.929 56.707 54.840 -0.103 0.000 0.749 693 L CB -0.735 41.334 42.059 0.018 0.000 0.901 693 L HN 0.322 nan 8.230 nan 0.000 0.433 694 Q N -0.395 119.297 119.800 -0.180 0.000 2.084 694 Q HA -0.143 4.307 4.340 0.183 0.000 0.202 694 Q C 2.114 177.959 176.000 -0.258 0.000 0.978 694 Q CA 1.472 57.069 55.803 -0.343 0.000 0.844 694 Q CB -0.619 27.730 28.738 -0.650 0.000 0.898 694 Q HN 0.724 nan 8.270 nan 0.000 0.426 695 G N 1.026 109.672 108.800 -0.257 0.000 2.459 695 G HA2 -0.252 3.818 3.960 0.183 0.000 0.217 695 G HA3 -0.252 3.818 3.960 0.183 0.000 0.217 695 G C 1.391 176.209 174.900 -0.136 0.000 1.183 695 G CA 0.702 45.597 45.100 -0.342 0.000 0.776 695 G HN 0.184 nan 8.290 nan 0.000 0.552 696 L N -0.053 121.024 121.223 -0.244 0.000 2.013 696 L HA -0.104 4.346 4.340 0.183 0.000 0.212 696 L C 3.001 179.898 176.870 0.045 0.000 1.073 696 L CA 0.893 55.604 54.840 -0.215 0.000 0.753 696 L CB -0.525 41.337 42.059 -0.329 0.000 0.890 696 L HN 0.198 nan 8.230 nan 0.000 0.432 697 L N -0.807 120.435 121.223 0.031 0.000 2.083 697 L HA -0.255 4.195 4.340 0.183 0.000 0.209 697 L C 2.671 179.621 176.870 0.133 0.000 1.083 697 L CA 1.231 56.131 54.840 0.100 0.000 0.752 697 L CB -0.455 41.678 42.059 0.123 0.000 0.899 697 L HN 0.395 nan 8.230 nan 0.000 0.433 698 Q N -0.242 119.655 119.800 0.162 0.000 2.226 698 Q HA -0.145 4.305 4.340 0.183 0.000 0.204 698 Q C 1.937 178.055 176.000 0.196 0.000 0.975 698 Q CA 1.322 57.249 55.803 0.207 0.000 0.866 698 Q CB -0.062 28.841 28.738 0.276 0.000 0.915 698 Q HN 0.551 nan 8.270 nan 0.000 0.440 699 G N -1.421 107.537 108.800 0.262 0.000 2.985 699 G HA2 0.205 4.275 3.960 0.183 0.000 0.209 699 G HA3 0.205 4.275 3.960 0.183 0.000 0.209 699 G C 0.727 175.713 174.900 0.145 0.000 1.165 699 G CA 0.302 45.519 45.100 0.196 0.000 0.776 699 G HN 0.492 nan 8.290 nan 0.000 0.541 700 G N -1.076 107.804 108.800 0.133 0.000 2.130 700 G HA2 0.160 4.230 3.960 0.183 0.000 0.216 700 G HA3 0.160 4.230 3.960 0.183 0.000 0.216 700 G C 0.475 175.387 174.900 0.020 0.000 0.999 700 G CA 0.147 45.290 45.100 0.072 0.000 0.686 700 G HN 1.218 nan 8.290 nan 0.000 0.515 701 A N -0.184 122.654 122.820 0.030 0.000 2.346 701 A HA 0.660 5.090 4.320 0.183 0.000 0.252 701 A C 0.620 178.087 177.584 -0.194 0.000 1.089 701 A CA 0.135 52.107 52.037 -0.109 0.000 0.797 701 A CB 0.446 19.377 19.000 -0.115 0.000 1.047 701 A HN 0.420 nan 8.150 nan 0.000 0.494 702 K N 1.136 121.262 120.400 -0.456 0.000 2.367 702 K HA 0.523 4.953 4.320 0.183 0.000 0.263 702 K C -1.497 174.894 176.600 -0.348 0.000 1.000 702 K CA -0.377 55.604 56.287 -0.510 0.000 0.891 702 K CB 1.516 33.339 32.500 -1.128 0.000 1.117 702 K HN 0.346 nan 8.250 nan 0.000 0.443 703 V N 2.407 122.336 119.914 0.025 0.000 2.656 703 V HA 0.329 4.559 4.120 0.183 0.000 0.307 703 V C -0.206 176.056 176.094 0.280 0.000 1.051 703 V CA -1.114 61.251 62.300 0.109 0.000 0.893 703 V CB 2.081 33.921 31.823 0.028 0.000 0.999 703 V HN 0.423 nan 8.190 nan 0.000 0.426 704 V N 4.548 124.617 119.914 0.258 0.000 2.370 704 V HA 0.488 4.718 4.120 0.183 0.000 0.279 704 V C -0.075 176.046 176.094 0.045 0.000 1.029 704 V CA -0.566 61.835 62.300 0.168 0.000 0.870 704 V CB 1.469 33.383 31.823 0.152 0.000 0.984 704 V HN 0.619 nan 8.190 nan 0.000 0.451 705 V N 4.028 123.938 119.914 -0.006 0.000 2.483 705 V HA 0.531 4.761 4.120 0.183 0.000 0.295 705 V C 0.554 176.632 176.094 -0.027 0.000 1.035 705 V CA -0.446 61.817 62.300 -0.062 0.000 0.896 705 V CB 2.034 33.727 31.823 -0.216 0.000 0.986 705 V HN 1.013 nan 8.190 nan 0.000 0.447 706 T N 0.574 115.140 114.554 0.020 0.000 2.875 706 T HA 0.597 5.057 4.350 0.183 0.000 0.284 706 T C -0.236 174.584 174.700 0.200 0.000 0.995 706 T CA -0.504 61.666 62.100 0.118 0.000 1.060 706 T CB 1.582 70.538 68.868 0.147 0.000 0.967 706 T HN 0.687 nan 8.240 nan 0.000 0.476 707 T N 0.560 115.277 114.554 0.271 0.000 2.900 707 T HA 0.516 4.976 4.350 0.183 0.000 0.295 707 T C 1.181 176.044 174.700 0.272 0.000 1.044 707 T CA -0.185 62.086 62.100 0.285 0.000 0.995 707 T CB 1.570 70.639 68.868 0.335 0.000 1.072 707 T HN 0.821 nan 8.240 nan 0.000 0.473 708 S N 3.626 119.446 115.700 0.199 0.000 2.427 708 S HA 0.185 4.765 4.470 0.183 0.000 0.224 708 S C 0.895 175.576 174.600 0.135 0.000 1.047 708 S CA -0.158 58.123 58.200 0.136 0.000 0.953 708 S CB -0.086 63.166 63.200 0.087 0.000 0.824 708 S HN 0.680 nan 8.310 nan 0.000 0.502 709 R N 1.129 121.711 120.500 0.136 0.000 3.570 709 R HA 0.356 4.806 4.340 0.183 0.000 0.233 709 R C -1.316 175.084 176.300 0.167 0.000 1.492 709 R CA -0.398 55.774 56.100 0.120 0.000 1.504 709 R CB -0.293 30.045 30.300 0.063 0.000 1.314 709 R HN 0.379 nan 8.270 nan 0.000 0.687 710 F N 2.191 122.180 119.950 0.064 0.000 2.487 710 F HA 0.079 4.716 4.527 0.183 0.000 0.364 710 F C -0.167 175.672 175.800 0.065 0.000 1.126 710 F CA 0.327 58.375 58.000 0.081 0.000 1.135 710 F CB 0.407 39.445 39.000 0.062 0.000 1.127 710 F HN 0.229 nan 8.300 nan 0.000 0.559 711 S N 5.146 120.725 115.700 -0.202 0.000 2.740 711 S HA 0.308 4.888 4.470 0.183 0.000 0.300 711 S C 0.687 175.182 174.600 -0.176 0.000 1.147 711 S CA -1.145 56.996 58.200 -0.099 0.000 0.871 711 S CB 1.901 65.082 63.200 -0.031 0.000 1.173 711 S HN 0.685 nan 8.310 nan 0.000 0.510 712 K N 0.596 120.963 120.400 -0.056 0.000 2.025 712 K HA -0.113 4.317 4.320 0.183 0.000 0.207 712 K C 2.039 178.622 176.600 -0.028 0.000 1.049 712 K CA 1.260 57.529 56.287 -0.030 0.000 0.933 712 K CB -0.256 32.263 32.500 0.031 0.000 0.714 712 K HN 0.647 nan 8.250 nan 0.000 0.438 713 Q N 0.502 120.291 119.800 -0.018 0.000 2.152 713 Q HA -0.169 4.281 4.340 0.183 0.000 0.206 713 Q C 1.845 177.834 176.000 -0.019 0.000 0.985 713 Q CA 1.830 57.624 55.803 -0.014 0.000 0.863 713 Q CB 0.123 28.850 28.738 -0.018 0.000 0.904 713 Q HN 0.253 nan 8.270 nan 0.000 0.422 714 V N -0.393 119.496 119.914 -0.042 0.000 2.446 714 V HA -0.145 4.085 4.120 0.183 0.000 0.244 714 V C 2.246 178.397 176.094 0.095 0.000 1.039 714 V CA 1.757 64.055 62.300 -0.003 0.000 1.045 714 V CB -0.553 31.264 31.823 -0.010 0.000 0.681 714 V HN 0.356 nan 8.190 nan 0.000 0.459 715 T N 0.131 114.668 114.554 -0.028 0.000 2.699 715 T HA -0.226 4.234 4.350 0.183 0.000 0.268 715 T C 1.634 176.406 174.700 0.120 0.000 1.036 715 T CA 1.975 64.113 62.100 0.063 0.000 1.147 715 T CB -0.368 68.473 68.868 -0.046 0.000 0.862 715 T HN 0.448 nan 8.240 nan 0.000 0.446 716 D N -0.244 120.184 120.400 0.047 0.000 2.144 716 D HA -0.059 4.691 4.640 0.183 0.000 0.200 716 D C 1.642 177.916 176.300 -0.043 0.000 0.978 716 D CA 0.720 54.722 54.000 0.004 0.000 0.833 716 D CB -0.441 40.359 40.800 -0.000 0.000 0.961 716 D HN 0.462 nan 8.370 nan 0.000 0.470 717 Y N 0.537 120.740 120.300 -0.162 0.000 2.081 717 Y HA -0.342 4.318 4.550 0.183 0.000 0.280 717 Y C 1.976 177.671 175.900 -0.341 0.000 1.163 717 Y CA 1.697 59.631 58.100 -0.277 0.000 1.135 717 Y CB -0.652 37.576 38.460 -0.387 0.000 0.970 717 Y HN -0.022 nan 8.280 nan 0.000 0.498 718 Y N 0.490 120.646 120.300 -0.240 0.000 2.263 718 Y HA -0.203 4.457 4.550 0.183 0.000 0.292 718 Y C 2.703 178.156 175.900 -0.745 0.000 1.130 718 Y CA 1.540 59.362 58.100 -0.463 0.000 1.179 718 Y CB -0.948 37.373 38.460 -0.230 0.000 0.998 718 Y HN 0.396 nan 8.280 nan 0.000 0.532 719 Q N -0.247 119.210 119.800 -0.572 0.000 2.124 719 Q HA -0.169 4.281 4.340 0.183 0.000 0.202 719 Q C 2.297 177.977 176.000 -0.533 0.000 0.977 719 Q CA 2.266 57.684 55.803 -0.642 0.000 0.850 719 Q CB -0.878 27.735 28.738 -0.208 0.000 0.901 719 Q HN 0.214 nan 8.270 nan 0.000 0.429 720 S N -0.289 115.149 115.700 -0.437 0.000 2.348 720 S HA -0.089 4.491 4.470 0.183 0.000 0.221 720 S C 1.884 176.236 174.600 -0.413 0.000 1.033 720 S CA 1.336 59.287 58.200 -0.414 0.000 1.010 720 S CB -0.439 62.566 63.200 -0.325 0.000 0.891 720 S HN 0.514 nan 8.310 nan 0.000 0.442 721 I N 0.059 120.367 120.570 -0.437 0.000 2.208 721 I HA -0.187 4.093 4.170 0.183 0.000 0.245 721 I C 2.270 178.309 176.117 -0.129 0.000 1.097 721 I CA 1.755 62.895 61.300 -0.267 0.000 1.363 721 I CB -0.489 37.280 38.000 -0.385 0.000 1.051 721 I HN 0.448 nan 8.210 nan 0.000 0.413 722 Y N 1.571 121.669 120.300 -0.337 0.000 2.200 722 Y HA -0.166 4.494 4.550 0.183 0.000 0.290 722 Y C 2.459 178.203 175.900 -0.260 0.000 1.137 722 Y CA 1.435 59.389 58.100 -0.244 0.000 1.163 722 Y CB -0.286 37.981 38.460 -0.323 0.000 0.988 722 Y HN 0.110 nan 8.280 nan 0.000 0.518 723 A N -0.498 122.010 122.820 -0.519 0.000 2.209 723 A HA -0.077 4.353 4.320 0.183 0.000 0.212 723 A C 2.115 179.440 177.584 -0.432 0.000 1.158 723 A CA 1.378 52.997 52.037 -0.697 0.000 0.742 723 A CB -0.562 17.687 19.000 -1.251 0.000 0.790 723 A HN 0.519 nan 8.150 nan 0.000 0.472 724 K N -2.224 117.895 120.400 -0.469 0.000 2.262 724 K HA 0.095 4.525 4.320 0.183 0.000 0.200 724 K C 0.761 176.952 176.600 -0.682 0.000 1.058 724 K CA 0.703 56.627 56.287 -0.605 0.000 0.974 724 K CB 0.138 32.136 32.500 -0.837 0.000 0.910 724 K HN 0.458 nan 8.250 nan 0.000 0.484 725 Y N -0.420 119.758 120.300 -0.204 0.000 2.426 725 Y HA 0.319 4.979 4.550 0.183 0.000 0.249 725 Y C 0.869 176.648 175.900 -0.201 0.000 1.103 725 Y CA -0.387 57.628 58.100 -0.141 0.000 1.256 725 Y CB 0.661 39.076 38.460 -0.076 0.000 1.208 725 Y HN -0.014 nan 8.280 nan 0.000 0.519 726 G N 1.803 110.392 108.800 -0.351 0.000 2.428 726 G HA2 0.319 4.389 3.960 0.183 0.000 0.290 726 G HA3 0.319 4.389 3.960 0.183 0.000 0.290 726 G C 0.414 175.147 174.900 -0.279 0.000 0.996 726 G CA 0.262 44.973 45.100 -0.648 0.000 1.406 726 G HN 0.369 nan 8.290 nan 0.000 0.445 727 A N 3.214 125.999 122.820 -0.058 0.000 2.366 727 A HA 0.517 4.947 4.320 0.183 0.000 0.250 727 A C 0.962 178.571 177.584 0.042 0.000 1.099 727 A CA -0.383 51.662 52.037 0.012 0.000 0.794 727 A CB 0.296 19.331 19.000 0.058 0.000 1.056 727 A HN 0.884 nan 8.150 nan 0.000 0.499 728 K N 0.058 120.489 120.400 0.051 0.000 2.472 728 K HA 0.396 4.826 4.320 0.183 0.000 0.280 728 K C 0.800 177.446 176.600 0.076 0.000 1.028 728 K CA 0.361 56.692 56.287 0.073 0.000 1.045 728 K CB -0.112 32.424 32.500 0.060 0.000 0.902 728 K HN 1.911 nan 8.250 nan 0.000 0.478 729 G N 1.603 110.463 108.800 0.100 0.000 2.179 729 G HA2 -0.340 3.730 3.960 0.183 0.000 0.260 729 G HA3 -0.340 3.730 3.960 0.183 0.000 0.260 729 G C 0.129 175.073 174.900 0.073 0.000 0.977 729 G CA 0.319 45.465 45.100 0.076 0.000 0.641 729 G HN 1.057 nan 8.290 nan 0.000 0.533 730 S N -0.925 114.858 115.700 0.138 0.000 2.669 730 S HA 0.822 5.401 4.470 0.183 0.000 0.270 730 S C -0.096 174.676 174.600 0.286 0.000 1.225 730 S CA 0.585 58.892 58.200 0.177 0.000 0.991 730 S CB 2.537 65.869 63.200 0.220 0.000 0.987 730 S HN 1.759 nan 8.310 nan 0.000 0.552 731 T N 1.038 115.750 114.554 0.262 0.000 3.435 731 T HA 0.365 4.825 4.350 0.183 0.000 0.344 731 T C -1.533 173.304 174.700 0.228 0.000 1.211 731 T CA -0.769 61.473 62.100 0.236 0.000 1.104 731 T CB 0.708 69.721 68.868 0.242 0.000 1.196 731 T HN 0.776 nan 8.240 nan 0.000 0.471 732 L N 6.110 127.409 121.223 0.126 0.000 2.317 732 L HA 0.719 5.169 4.340 0.183 0.000 0.281 732 L C -0.991 176.015 176.870 0.226 0.000 1.024 732 L CA -1.105 53.850 54.840 0.192 0.000 0.810 732 L CB 1.220 43.380 42.059 0.169 0.000 1.240 732 L HN 0.724 nan 8.230 nan 0.000 0.427 733 I N 5.278 125.964 120.570 0.194 0.000 2.439 733 I HA 0.287 4.567 4.170 0.183 0.000 0.285 733 I C -0.602 175.575 176.117 0.100 0.000 1.021 733 I CA -0.683 60.690 61.300 0.122 0.000 1.091 733 I CB 2.074 40.112 38.000 0.063 0.000 1.242 733 I HN 0.204 nan 8.210 nan 0.000 0.439 734 V N 7.000 126.985 119.914 0.118 0.000 2.394 734 V HA 0.449 4.679 4.120 0.183 0.000 0.282 734 V C 0.072 176.282 176.094 0.193 0.000 1.031 734 V CA -0.610 61.751 62.300 0.103 0.000 0.881 734 V CB 1.711 33.608 31.823 0.125 0.000 0.982 734 V HN 0.531 nan 8.190 nan 0.000 0.451 735 V N 3.748 123.768 119.914 0.177 0.000 2.823 735 V HA 0.785 5.015 4.120 0.183 0.000 0.312 735 V C -2.867 173.349 176.094 0.205 0.000 1.072 735 V CA -2.858 59.523 62.300 0.135 0.000 0.937 735 V CB 2.165 34.111 31.823 0.206 0.000 1.013 735 V HN 0.657 nan 8.190 nan 0.000 0.430 736 P HA 0.551 nan 4.420 nan 0.000 0.279 736 P C -1.264 176.216 177.300 0.300 0.000 1.239 736 P CA 0.079 63.218 63.100 0.065 0.000 0.789 736 P CB 0.488 31.979 31.700 -0.347 0.000 0.933 737 F N 1.560 121.571 119.950 0.102 0.000 2.688 737 F HA 0.401 5.038 4.527 0.183 0.000 0.308 737 F C -1.721 174.110 175.800 0.050 0.000 1.117 737 F CA -0.672 57.385 58.000 0.096 0.000 0.976 737 F CB 1.788 40.832 39.000 0.073 0.000 1.291 737 F HN 0.276 nan 8.300 nan 0.000 0.439 738 N N 4.952 123.109 118.700 -0.906 0.000 2.623 738 N HA 0.130 4.980 4.740 0.183 0.000 0.256 738 N C -0.061 174.807 175.510 -1.070 0.000 1.045 738 N CA -0.206 52.413 53.050 -0.720 0.000 0.863 738 N CB 1.533 39.817 38.487 -0.340 0.000 1.182 738 N HN 0.944 nan 8.380 nan 0.000 0.523 739 Q N 2.310 121.565 119.800 -0.908 0.000 2.508 739 Q HA -0.050 4.400 4.340 0.183 0.000 0.214 739 Q C 1.505 177.284 176.000 -0.369 0.000 0.979 739 Q CA 1.469 56.959 55.803 -0.521 0.000 0.911 739 Q CB 0.077 28.775 28.738 -0.066 0.000 0.969 739 Q HN 0.813 nan 8.270 nan 0.000 0.504 740 G N -0.509 108.056 108.800 -0.391 0.000 2.623 740 G HA2 -0.082 3.988 3.960 0.183 0.000 0.214 740 G HA3 -0.082 3.988 3.960 0.183 0.000 0.214 740 G C 0.363 175.129 174.900 -0.223 0.000 1.138 740 G CA 0.190 45.059 45.100 -0.385 0.000 0.794 740 G HN 0.251 nan 8.290 nan 0.000 0.535 741 S N 0.058 115.621 115.700 -0.230 0.000 2.452 741 S HA 0.280 4.860 4.470 0.183 0.000 0.284 741 S C 1.397 175.924 174.600 -0.121 0.000 1.171 741 S CA -0.567 57.539 58.200 -0.157 0.000 1.064 741 S CB 1.317 64.423 63.200 -0.158 0.000 0.967 741 S HN 0.257 nan 8.310 nan 0.000 0.484 742 K N 3.689 124.047 120.400 -0.069 0.000 2.063 742 K HA -0.151 4.279 4.320 0.183 0.000 0.208 742 K C 1.681 178.266 176.600 -0.024 0.000 1.048 742 K CA 1.708 57.971 56.287 -0.038 0.000 0.928 742 K CB -0.156 32.335 32.500 -0.016 0.000 0.713 742 K HN 0.778 nan 8.250 nan 0.000 0.442 743 Q N 0.092 119.879 119.800 -0.023 0.000 2.167 743 Q HA -0.155 4.295 4.340 0.183 0.000 0.202 743 Q C 1.572 177.583 176.000 0.017 0.000 0.970 743 Q CA 1.424 57.227 55.803 -0.001 0.000 0.855 743 Q CB -0.004 28.734 28.738 0.001 0.000 0.911 743 Q HN 0.309 nan 8.270 nan 0.000 0.438 744 D N -0.134 120.266 120.400 -0.001 0.000 2.123 744 D HA -0.100 4.650 4.640 0.183 0.000 0.200 744 D C 1.951 178.368 176.300 0.195 0.000 0.976 744 D CA 0.688 54.721 54.000 0.056 0.000 0.831 744 D CB -0.023 40.695 40.800 -0.137 0.000 0.974 744 D HN -0.020 nan 8.370 nan 0.000 0.469 745 V N 1.032 121.050 119.914 0.173 0.000 2.252 745 V HA -0.276 3.954 4.120 0.183 0.000 0.249 745 V C 2.253 178.365 176.094 0.030 0.000 1.056 745 V CA 1.871 64.288 62.300 0.196 0.000 1.022 745 V CB -0.524 31.355 31.823 0.094 0.000 0.641 745 V HN 0.233 nan 8.190 nan 0.000 0.445 746 E N 0.072 120.273 120.200 0.002 0.000 2.051 746 E HA -0.211 4.249 4.350 0.183 0.000 0.192 746 E C 2.328 178.905 176.600 -0.038 0.000 0.991 746 E CA 1.357 57.743 56.400 -0.023 0.000 0.799 746 E CB -0.379 29.313 29.700 -0.014 0.000 0.748 746 E HN 0.600 nan 8.360 nan 0.000 0.449 747 A N 1.332 124.130 122.820 -0.036 0.000 1.933 747 A HA -0.164 4.266 4.320 0.183 0.000 0.218 747 A C 2.132 179.542 177.584 -0.289 0.000 1.175 747 A CA 0.910 52.925 52.037 -0.037 0.000 0.628 747 A CB -0.562 18.508 19.000 0.116 0.000 0.814 747 A HN 0.249 nan 8.150 nan 0.000 0.444 748 L N -0.018 120.866 121.223 -0.565 0.000 1.973 748 L HA -0.125 4.325 4.340 0.183 0.000 0.208 748 L C 2.470 179.186 176.870 -0.256 0.000 1.073 748 L CA 2.263 56.611 54.840 -0.820 0.000 0.746 748 L CB -0.365 41.226 42.059 -0.781 0.000 0.891 748 L HN 0.607 nan 8.230 nan 0.000 0.433 749 I N -2.677 117.803 120.570 -0.151 0.000 3.083 749 I HA -0.144 4.136 4.170 0.183 0.000 0.273 749 I C 1.884 178.058 176.117 0.095 0.000 1.297 749 I CA 1.081 62.384 61.300 0.005 0.000 1.452 749 I CB -0.321 37.681 38.000 0.004 0.000 1.078 749 I HN 0.303 nan 8.210 nan 0.000 0.484 750 E N 0.814 121.041 120.200 0.046 0.000 2.086 750 E HA -0.127 4.333 4.350 0.183 0.000 0.190 750 E C 1.825 178.506 176.600 0.134 0.000 0.975 750 E CA 1.010 57.460 56.400 0.084 0.000 0.813 750 E CB -0.231 29.506 29.700 0.061 0.000 0.768 750 E HN 0.666 nan 8.360 nan 0.000 0.457 751 F N 1.637 121.588 119.950 0.002 0.000 2.365 751 F HA -0.088 4.549 4.527 0.183 0.000 0.300 751 F C 1.830 177.599 175.800 -0.051 0.000 1.090 751 F CA 0.895 58.908 58.000 0.023 0.000 1.408 751 F CB -0.003 39.093 39.000 0.160 0.000 1.060 751 F HN -0.105 nan 8.300 nan 0.000 0.534 752 I N -0.975 119.482 120.570 -0.189 0.000 2.286 752 I HA -0.266 4.014 4.170 0.183 0.000 0.245 752 I C 1.627 177.547 176.117 -0.328 0.000 1.104 752 I CA 1.220 62.308 61.300 -0.354 0.000 1.397 752 I CB -0.490 37.453 38.000 -0.094 0.000 1.072 752 I HN 0.094 nan 8.210 nan 0.000 0.417 753 Y N 0.145 120.350 120.300 -0.158 0.000 2.490 753 Y HA 0.038 4.698 4.550 0.183 0.000 0.285 753 Y C 0.970 176.805 175.900 -0.109 0.000 1.117 753 Y CA 0.038 58.078 58.100 -0.101 0.000 1.262 753 Y CB -0.090 38.335 38.460 -0.059 0.000 1.043 753 Y HN 0.025 nan 8.280 nan 0.000 0.553 754 D N 0.758 121.153 120.400 -0.008 0.000 2.389 754 D HA -0.002 4.748 4.640 0.183 0.000 0.247 754 D C 0.300 176.550 176.300 -0.084 0.000 1.128 754 D CA 0.149 54.135 54.000 -0.023 0.000 0.884 754 D CB 0.774 41.572 40.800 -0.002 0.000 1.194 754 D HN 0.158 nan 8.370 nan 0.000 0.441 755 T N 0.802 115.330 114.554 -0.044 0.000 2.939 755 T HA -0.023 4.437 4.350 0.183 0.000 0.319 755 T C 1.274 175.933 174.700 -0.069 0.000 1.082 755 T CA 0.012 62.081 62.100 -0.052 0.000 1.133 755 T CB 0.570 69.424 68.868 -0.023 0.000 1.019 755 T HN 0.418 nan 8.240 nan 0.000 0.548 756 E N 1.250 121.405 120.200 -0.075 0.000 2.118 756 E HA -0.201 4.259 4.350 0.183 0.000 0.195 756 E C 2.126 178.703 176.600 -0.038 0.000 0.992 756 E CA 1.390 57.745 56.400 -0.074 0.000 0.804 756 E CB -0.095 29.571 29.700 -0.057 0.000 0.741 756 E HN 0.789 nan 8.360 nan 0.000 0.458 757 K N 0.937 121.323 120.400 -0.024 0.000 2.032 757 K HA -0.121 4.309 4.320 0.183 0.000 0.209 757 K C 1.428 178.025 176.600 -0.005 0.000 1.048 757 K CA 1.257 57.538 56.287 -0.011 0.000 0.927 757 K CB 0.079 32.575 32.500 -0.007 0.000 0.712 757 K HN 0.017 nan 8.250 nan 0.000 0.441 758 N N -0.067 118.630 118.700 -0.005 0.000 2.485 758 N HA -0.013 4.837 4.740 0.183 0.000 0.199 758 N C 0.424 175.946 175.510 0.020 0.000 1.236 758 N CA 1.100 54.154 53.050 0.007 0.000 0.852 758 N CB 0.772 39.264 38.487 0.008 0.000 1.018 758 N HN 0.523 nan 8.380 nan 0.000 0.457 759 G N -0.369 108.440 108.800 0.015 0.000 2.141 759 G HA2 -0.211 3.859 3.960 0.183 0.000 0.242 759 G HA3 -0.211 3.859 3.960 0.183 0.000 0.242 759 G C 0.485 175.433 174.900 0.079 0.000 0.982 759 G CA 0.054 45.184 45.100 0.049 0.000 0.662 759 G HN 0.593 nan 8.290 nan 0.000 0.527 760 G N -1.461 107.314 108.800 -0.041 0.000 2.583 760 G HA2 0.639 4.709 3.960 0.183 0.000 0.280 760 G HA3 0.639 4.709 3.960 0.183 0.000 0.280 760 G C 0.749 175.347 174.900 -0.504 0.000 1.376 760 G CA 0.000 44.958 45.100 -0.237 0.000 1.043 760 G HN 0.576 nan 8.290 nan 0.000 0.538 761 L N -0.604 120.134 121.223 -0.809 0.000 2.515 761 L HA 0.337 4.787 4.340 0.183 0.000 0.223 761 L C 2.107 178.590 176.870 -0.645 0.000 1.079 761 L CA 1.441 55.706 54.840 -0.957 0.000 0.857 761 L CB -0.035 41.151 42.059 -1.454 0.000 1.050 761 L HN 1.049 nan 8.230 nan 0.000 0.476 762 G N -1.359 107.205 108.800 -0.395 0.000 2.198 762 G HA2 -0.284 3.786 3.960 0.183 0.000 0.260 762 G HA3 -0.284 3.786 3.960 0.183 0.000 0.260 762 G C -0.056 174.812 174.900 -0.052 0.000 1.025 762 G CA 0.433 45.431 45.100 -0.170 0.000 0.769 762 G HN 0.152 nan 8.290 nan 0.000 0.507 763 W N -0.520 120.511 121.300 -0.448 0.000 2.365 763 W HA 0.734 5.504 4.660 0.184 0.000 0.410 763 W C 0.064 176.090 176.519 -0.820 0.000 1.634 763 W CA -0.893 56.090 57.345 -0.604 0.000 1.761 763 W CB 0.792 29.955 29.460 -0.495 0.000 1.485 763 W HN 0.105 nan 8.180 nan 0.000 0.706 764 D N 0.166 120.231 120.400 -0.559 0.000 2.764 764 D HA 0.298 5.048 4.640 0.183 0.000 0.227 764 D C -1.150 174.990 176.300 -0.267 0.000 1.347 764 D CA -0.305 53.363 54.000 -0.554 0.000 0.953 764 D CB 0.862 41.507 40.800 -0.259 0.000 1.476 764 D HN 0.134 nan 8.370 nan 0.000 0.585 765 L N 2.864 124.034 121.223 -0.088 0.000 2.439 765 L HA 0.313 4.763 4.340 0.183 0.000 0.269 765 L C 0.936 177.851 176.870 0.075 0.000 1.179 765 L CA -0.111 54.760 54.840 0.051 0.000 0.828 765 L CB 0.799 42.928 42.059 0.116 0.000 1.106 765 L HN 0.477 nan 8.230 nan 0.000 0.467 766 D N 1.081 121.524 120.400 0.072 0.000 2.454 766 D HA 0.250 4.999 4.640 0.183 0.000 0.214 766 D C 0.101 176.423 176.300 0.037 0.000 1.088 766 D CA 0.367 54.405 54.000 0.063 0.000 0.855 766 D CB 1.404 42.244 40.800 0.067 0.000 1.025 766 D HN 0.552 nan 8.370 nan 0.000 0.502 767 A N 0.839 123.667 122.820 0.013 0.000 2.520 767 A HA 0.677 5.107 4.320 0.183 0.000 0.298 767 A C -1.279 176.290 177.584 -0.026 0.000 1.051 767 A CA -0.516 51.507 52.037 -0.022 0.000 0.690 767 A CB 1.472 20.423 19.000 -0.082 0.000 1.281 767 A HN 0.016 nan 8.150 nan 0.000 0.402 768 I N 2.100 122.652 120.570 -0.029 0.000 2.466 768 I HA 0.450 4.730 4.170 0.183 0.000 0.289 768 I C -0.994 175.091 176.117 -0.055 0.000 1.026 768 I CA -0.284 60.995 61.300 -0.036 0.000 1.078 768 I CB 1.965 39.956 38.000 -0.015 0.000 1.249 768 I HN 0.512 nan 8.210 nan 0.000 0.429 769 I N 7.592 128.109 120.570 -0.087 0.000 2.623 769 I HA 0.276 4.556 4.170 0.183 0.000 0.275 769 I C -2.359 173.755 176.117 -0.005 0.000 1.108 769 I CA -1.443 59.773 61.300 -0.141 0.000 1.120 769 I CB 1.301 39.055 38.000 -0.410 0.000 1.249 769 I HN 0.289 nan 8.210 nan 0.000 0.500 770 P HA 0.185 nan 4.420 nan 0.000 0.218 770 P C 0.384 177.871 177.300 0.312 0.000 1.793 770 P CA -0.146 63.058 63.100 0.173 0.000 0.941 770 P CB -0.293 31.454 31.700 0.079 0.000 1.919 771 F N 0.369 120.313 119.950 -0.010 0.000 2.811 771 F HA 0.218 4.855 4.527 0.183 0.000 0.301 771 F C 1.552 177.363 175.800 0.017 0.000 1.151 771 F CA -1.105 56.894 58.000 -0.001 0.000 1.412 771 F CB -1.034 37.966 39.000 -0.000 0.000 1.113 771 F HN 0.047 nan 8.300 nan 0.000 0.579 772 A N 0.759 123.692 122.820 0.187 0.000 2.540 772 A HA 0.531 4.961 4.320 0.183 0.000 0.239 772 A C 0.454 178.071 177.584 0.055 0.000 1.061 772 A CA 0.722 52.832 52.037 0.121 0.000 0.758 772 A CB -0.264 18.813 19.000 0.129 0.000 0.991 772 A HN 0.391 nan 8.150 nan 0.000 0.502 773 A N 1.851 124.700 122.820 0.048 0.000 2.536 773 A HA 0.741 5.171 4.320 0.183 0.000 0.293 773 A C -1.081 176.530 177.584 0.045 0.000 1.119 773 A CA -0.465 51.590 52.037 0.030 0.000 0.654 773 A CB 0.636 19.667 19.000 0.051 0.000 1.291 773 A HN 0.851 nan 8.150 nan 0.000 0.439 774 I N 0.938 121.545 120.570 0.063 0.000 2.582 774 I HA 0.421 4.701 4.170 0.183 0.000 0.292 774 I C -2.538 173.635 176.117 0.094 0.000 1.066 774 I CA -2.125 59.235 61.300 0.101 0.000 1.053 774 I CB 2.772 40.873 38.000 0.167 0.000 1.241 774 I HN 0.379 nan 8.210 nan 0.000 0.421 775 P HA 0.232 nan 4.420 nan 0.000 0.284 775 P C -1.449 175.864 177.300 0.022 0.000 1.343 775 P CA -0.317 62.788 63.100 0.008 0.000 0.826 775 P CB 0.198 31.889 31.700 -0.015 0.000 0.956 776 E N 3.658 123.866 120.200 0.013 0.000 2.133 776 E HA 0.374 4.834 4.350 0.183 0.000 0.274 776 E C -0.370 176.214 176.600 -0.027 0.000 0.930 776 E CA -0.864 55.549 56.400 0.022 0.000 0.770 776 E CB 1.234 30.982 29.700 0.080 0.000 1.104 776 E HN 0.447 nan 8.360 nan 0.000 0.403 777 Q N 1.109 120.888 119.800 -0.035 0.000 2.309 777 Q HA 0.515 4.965 4.340 0.183 0.000 0.273 777 Q C 0.168 176.144 176.000 -0.040 0.000 1.040 777 Q CA -1.049 54.724 55.803 -0.050 0.000 0.834 777 Q CB 1.798 30.489 28.738 -0.077 0.000 1.345 777 Q HN 0.718 nan 8.270 nan 0.000 0.414 778 G N 2.118 110.907 108.800 -0.019 0.000 2.147 778 G HA2 -0.225 3.845 3.960 0.183 0.000 0.244 778 G HA3 -0.225 3.845 3.960 0.183 0.000 0.244 778 G C -0.238 174.661 174.900 -0.001 0.000 1.005 778 G CA 0.147 45.237 45.100 -0.017 0.000 0.713 778 G HN 0.611 nan 8.290 nan 0.000 0.515 779 I N 0.985 121.584 120.570 0.048 0.000 2.354 779 I HA 0.383 4.663 4.170 0.183 0.000 0.286 779 I C 0.546 176.760 176.117 0.162 0.000 1.007 779 I CA -0.630 60.742 61.300 0.119 0.000 1.167 779 I CB 1.121 39.169 38.000 0.081 0.000 1.320 779 I HN 0.126 nan 8.210 nan 0.000 0.458 780 E N 3.141 123.491 120.200 0.250 0.000 2.504 780 E HA 0.189 4.649 4.350 0.183 0.000 0.253 780 E C 0.734 177.339 176.600 0.008 0.000 1.151 780 E CA -0.810 55.647 56.400 0.095 0.000 0.972 780 E CB 1.284 31.016 29.700 0.054 0.000 1.247 780 E HN 0.396 nan 8.360 nan 0.000 0.519 781 L N 1.912 123.118 121.223 -0.029 0.000 1.991 781 L HA -0.271 4.179 4.340 0.183 0.000 0.221 781 L C 2.012 178.832 176.870 -0.083 0.000 1.079 781 L CA 2.273 57.087 54.840 -0.043 0.000 0.778 781 L CB -0.748 41.284 42.059 -0.045 0.000 0.893 781 L HN 0.722 nan 8.230 nan 0.000 0.437 782 E N -2.360 117.725 120.200 -0.192 0.000 2.511 782 E HA -0.194 4.266 4.350 0.183 0.000 0.196 782 E C 1.011 177.480 176.600 -0.220 0.000 1.066 782 E CA 0.711 56.980 56.400 -0.218 0.000 0.871 782 E CB -0.404 29.135 29.700 -0.269 0.000 0.863 782 E HN 0.692 nan 8.360 nan 0.000 0.520 783 H N 0.590 119.658 119.070 -0.003 0.000 2.648 783 H HA 0.293 4.959 4.556 0.183 0.000 0.265 783 H C 0.675 176.001 175.328 -0.003 0.000 0.961 783 H CA -0.271 55.773 56.048 -0.006 0.000 1.185 783 H CB 0.405 30.162 29.762 -0.008 0.000 1.449 783 H HN 0.139 nan 8.280 nan 0.000 0.523 784 I N 2.485 123.109 120.570 0.090 0.000 2.752 784 I HA -0.120 4.160 4.170 0.183 0.000 0.286 784 I C 0.583 176.731 176.117 0.051 0.000 1.180 784 I CA 0.975 62.312 61.300 0.063 0.000 1.404 784 I CB 0.165 38.181 38.000 0.028 0.000 1.389 784 I HN 0.169 nan 8.210 nan 0.000 0.549 785 D N 2.857 123.295 120.400 0.063 0.000 3.798 785 D HA 0.140 4.890 4.640 0.183 0.000 0.296 785 D C 1.048 177.406 176.300 0.096 0.000 1.489 785 D CA -0.265 53.768 54.000 0.054 0.000 0.988 785 D CB 0.751 41.574 40.800 0.038 0.000 1.360 785 D HN 0.228 nan 8.370 nan 0.000 0.641 786 S N -0.418 115.343 115.700 0.101 0.000 2.365 786 S HA -0.225 4.355 4.470 0.183 0.000 0.225 786 S C 1.712 176.527 174.600 0.359 0.000 1.039 786 S CA 2.467 60.787 58.200 0.200 0.000 1.033 786 S CB -0.302 63.007 63.200 0.181 0.000 0.887 786 S HN 0.357 nan 8.310 nan 0.000 0.447 787 K N 0.300 120.865 120.400 0.274 0.000 2.002 787 K HA -0.060 4.370 4.320 0.183 0.000 0.209 787 K C 2.221 179.069 176.600 0.415 0.000 1.048 787 K CA 1.837 58.378 56.287 0.424 0.000 0.930 787 K CB -0.396 32.109 32.500 0.008 0.000 0.714 787 K HN 0.365 nan 8.250 nan 0.000 0.438 788 S N 0.741 116.590 115.700 0.248 0.000 2.382 788 S HA -0.179 4.401 4.470 0.183 0.000 0.228 788 S C 1.822 176.570 174.600 0.248 0.000 1.027 788 S CA 1.537 59.865 58.200 0.214 0.000 0.991 788 S CB -0.250 63.029 63.200 0.132 0.000 0.823 788 S HN 0.448 nan 8.310 nan 0.000 0.469 789 E N 0.290 120.650 120.200 0.267 0.000 2.106 789 E HA -0.134 4.325 4.350 0.183 0.000 0.192 789 E C 1.752 178.628 176.600 0.460 0.000 0.984 789 E CA 0.802 57.371 56.400 0.282 0.000 0.806 789 E CB -0.155 29.648 29.700 0.172 0.000 0.750 789 E HN 0.517 nan 8.360 nan 0.000 0.458 790 F N 0.936 121.137 119.950 0.419 0.000 2.163 790 F HA 0.017 4.654 4.527 0.183 0.000 0.297 790 F C 1.994 177.883 175.800 0.149 0.000 1.094 790 F CA 1.405 59.584 58.000 0.299 0.000 1.290 790 F CB -0.577 38.521 39.000 0.163 0.000 1.017 790 F HN 0.078 nan 8.300 nan 0.000 0.483 791 A N -0.314 122.606 122.820 0.168 0.000 1.908 791 A HA -0.282 4.148 4.320 0.183 0.000 0.218 791 A C 2.380 179.963 177.584 -0.002 0.000 1.181 791 A CA 1.900 53.957 52.037 0.032 0.000 0.627 791 A CB -1.621 17.490 19.000 0.185 0.000 0.818 791 A HN 0.670 nan 8.150 nan 0.000 0.445 792 H N -0.652 118.422 119.070 0.008 0.000 2.422 792 H HA -0.128 4.537 4.556 0.183 0.000 0.298 792 H C 2.352 177.645 175.328 -0.059 0.000 1.098 792 H CA 1.784 57.825 56.048 -0.011 0.000 1.315 792 H CB 0.047 29.827 29.762 0.030 0.000 1.382 792 H HN 0.528 nan 8.280 nan 0.000 0.523 793 R N 0.316 120.770 120.500 -0.077 0.000 2.073 793 R HA -0.055 4.395 4.340 0.183 0.000 0.229 793 R C 2.503 178.637 176.300 -0.277 0.000 1.120 793 R CA 1.273 57.277 56.100 -0.159 0.000 0.967 793 R CB -0.086 30.162 30.300 -0.087 0.000 0.862 793 R HN 0.276 nan 8.270 nan 0.000 0.436 794 I N 0.126 120.463 120.570 -0.388 0.000 2.315 794 I HA -0.225 4.054 4.170 0.183 0.000 0.248 794 I C 1.972 177.963 176.117 -0.211 0.000 1.117 794 I CA 1.264 62.363 61.300 -0.336 0.000 1.404 794 I CB 0.024 37.788 38.000 -0.395 0.000 1.071 794 I HN 0.253 nan 8.210 nan 0.000 0.419 795 M N -0.964 118.511 119.600 -0.207 0.000 2.428 795 M HA 0.089 4.678 4.480 0.183 0.000 0.239 795 M C 1.279 177.440 176.300 -0.231 0.000 1.121 795 M CA 0.613 55.809 55.300 -0.173 0.000 1.019 795 M CB 0.678 33.205 32.600 -0.121 0.000 1.485 795 M HN 0.274 nan 8.290 nan 0.000 0.484 796 L N -1.650 119.390 121.223 -0.305 0.000 2.681 796 L HA 0.174 4.624 4.340 0.183 0.000 0.163 796 L C 2.069 178.788 176.870 -0.251 0.000 1.188 796 L CA 1.145 55.791 54.840 -0.324 0.000 0.944 796 L CB -0.725 41.015 42.059 -0.533 0.000 1.835 796 L HN 0.098 nan 8.230 nan 0.000 0.510 797 T N -0.669 113.727 114.554 -0.263 0.000 2.684 797 T HA -0.146 4.314 4.350 0.183 0.000 0.267 797 T C 1.592 176.217 174.700 -0.125 0.000 1.036 797 T CA 2.174 64.181 62.100 -0.155 0.000 1.148 797 T CB -0.477 68.337 68.868 -0.089 0.000 0.863 797 T HN 0.413 nan 8.240 nan 0.000 0.436 798 N N 0.831 119.452 118.700 -0.132 0.000 2.396 798 N HA 0.186 5.036 4.740 0.183 0.000 0.180 798 N C 1.863 177.322 175.510 -0.086 0.000 1.028 798 N CA 0.611 53.601 53.050 -0.101 0.000 0.893 798 N CB -0.362 38.059 38.487 -0.110 0.000 0.967 798 N HN 0.526 nan 8.380 nan 0.000 0.440 799 I N 0.574 121.080 120.570 -0.107 0.000 2.179 799 I HA -0.235 4.045 4.170 0.183 0.000 0.242 799 I C 1.958 177.998 176.117 -0.128 0.000 1.088 799 I CA 0.801 62.042 61.300 -0.098 0.000 1.357 799 I CB -0.171 37.764 38.000 -0.109 0.000 1.051 799 I HN 0.084 nan 8.210 nan 0.000 0.409 800 L N 0.131 121.266 121.223 -0.147 0.000 1.989 800 L HA -0.257 4.193 4.340 0.183 0.000 0.211 800 L C 2.795 179.563 176.870 -0.170 0.000 1.071 800 L CA 1.552 56.287 54.840 -0.174 0.000 0.749 800 L CB -0.713 41.257 42.059 -0.147 0.000 0.890 800 L HN 0.193 nan 8.230 nan 0.000 0.431 801 R N -0.529 119.896 120.500 -0.125 0.000 2.117 801 R HA -0.236 4.214 4.340 0.183 0.000 0.243 801 R C 2.289 178.526 176.300 -0.104 0.000 1.143 801 R CA 1.894 57.931 56.100 -0.104 0.000 0.968 801 R CB -0.284 29.973 30.300 -0.072 0.000 0.863 801 R HN 0.358 nan 8.270 nan 0.000 0.444 802 M N -0.012 119.532 119.600 -0.093 0.000 2.099 802 M HA -0.158 4.432 4.480 0.183 0.000 0.262 802 M C 2.088 178.318 176.300 -0.117 0.000 1.067 802 M CA 1.589 56.840 55.300 -0.081 0.000 1.124 802 M CB 0.113 32.684 32.600 -0.050 0.000 1.353 802 M HN 0.087 nan 8.290 nan 0.000 0.410 803 M N -0.797 118.705 119.600 -0.163 0.000 2.086 803 M HA -0.078 4.512 4.480 0.183 0.000 0.261 803 M C 2.275 178.426 176.300 -0.249 0.000 1.067 803 M CA 1.792 56.961 55.300 -0.218 0.000 1.116 803 M CB -1.524 30.874 32.600 -0.336 0.000 1.348 803 M HN 0.484 nan 8.290 nan 0.000 0.407 804 G N 0.233 108.872 108.800 -0.269 0.000 2.469 804 G HA2 -0.239 3.831 3.960 0.183 0.000 0.219 804 G HA3 -0.239 3.831 3.960 0.183 0.000 0.219 804 G C 1.586 176.386 174.900 -0.167 0.000 1.150 804 G CA 1.255 46.214 45.100 -0.235 0.000 0.763 804 G HN 0.474 nan 8.290 nan 0.000 0.561 805 C N -0.028 119.186 119.300 -0.144 0.000 2.432 805 C HA -0.045 4.525 4.460 0.183 0.000 0.277 805 C C 3.261 178.141 174.990 -0.183 0.000 1.249 805 C CA 1.289 60.225 59.018 -0.137 0.000 1.725 805 C CB -0.897 26.778 27.740 -0.108 0.000 2.028 805 C HN 0.437 nan 8.230 nan 0.000 0.477 806 V N 0.453 120.266 119.914 -0.167 0.000 2.626 806 V HA -0.116 4.114 4.120 0.183 0.000 0.252 806 V C 2.403 178.379 176.094 -0.196 0.000 1.067 806 V CA 2.088 64.260 62.300 -0.214 0.000 1.081 806 V CB -0.776 31.023 31.823 -0.040 0.000 0.686 806 V HN 0.478 nan 8.190 nan 0.000 0.468 807 K N 1.179 121.500 120.400 -0.131 0.000 2.032 807 K HA -0.216 4.214 4.320 0.183 0.000 0.209 807 K C 2.199 178.739 176.600 -0.100 0.000 1.048 807 K CA 2.347 58.588 56.287 -0.077 0.000 0.927 807 K CB -0.333 32.127 32.500 -0.068 0.000 0.712 807 K HN 0.619 nan 8.250 nan 0.000 0.441 808 K N 0.206 120.527 120.400 -0.131 0.000 2.057 808 K HA -0.138 4.292 4.320 0.183 0.000 0.207 808 K C 2.303 178.806 176.600 -0.163 0.000 1.049 808 K CA 1.187 57.403 56.287 -0.119 0.000 0.931 808 K CB -0.052 32.381 32.500 -0.112 0.000 0.714 808 K HN 0.163 nan 8.250 nan 0.000 0.440 809 Q N 1.273 120.900 119.800 -0.289 0.000 2.030 809 Q HA -0.158 4.292 4.340 0.183 0.000 0.204 809 Q C 2.026 177.852 176.000 -0.290 0.000 0.986 809 Q CA 1.594 57.141 55.803 -0.427 0.000 0.843 809 Q CB -0.235 27.866 28.738 -1.063 0.000 0.904 809 Q HN 0.316 nan 8.270 nan 0.000 0.420 810 K N 0.303 120.553 120.400 -0.249 0.000 2.009 810 K HA -0.093 4.337 4.320 0.183 0.000 0.210 810 K C 2.438 179.021 176.600 -0.028 0.000 1.049 810 K CA 1.495 57.752 56.287 -0.050 0.000 0.929 810 K CB -0.187 32.319 32.500 0.010 0.000 0.714 810 K HN 0.008 nan 8.250 nan 0.000 0.440 811 S N 0.666 116.341 115.700 -0.040 0.000 2.370 811 S HA -0.167 4.413 4.470 0.183 0.000 0.226 811 S C 1.969 176.554 174.600 -0.025 0.000 1.033 811 S CA 1.333 59.520 58.200 -0.021 0.000 1.011 811 S CB -0.249 62.941 63.200 -0.018 0.000 0.852 811 S HN 0.463 nan 8.310 nan 0.000 0.457 812 A N 0.399 123.193 122.820 -0.044 0.000 2.216 812 A HA 0.042 4.472 4.320 0.183 0.000 0.214 812 A C 1.879 179.452 177.584 -0.017 0.000 1.160 812 A CA 0.904 52.920 52.037 -0.034 0.000 0.725 812 A CB -0.196 18.775 19.000 -0.049 0.000 0.784 812 A HN 0.387 nan 8.150 nan 0.000 0.472 813 R N -2.026 118.469 120.500 -0.008 0.000 2.535 813 R HA 0.261 4.711 4.340 0.183 0.000 0.323 813 R C 1.027 177.337 176.300 0.015 0.000 0.979 813 R CA 0.503 56.610 56.100 0.012 0.000 1.120 813 R CB 0.368 30.691 30.300 0.037 0.000 1.306 813 R HN 0.568 nan 8.270 nan 0.000 0.540 814 G N 1.705 110.510 108.800 0.009 0.000 2.179 814 G HA2 -0.275 3.795 3.960 0.183 0.000 0.257 814 G HA3 -0.275 3.795 3.960 0.183 0.000 0.257 814 G C 0.179 175.091 174.900 0.019 0.000 1.010 814 G CA 0.003 45.110 45.100 0.011 0.000 0.736 814 G HN 0.309 nan 8.290 nan 0.000 0.513 815 I N 0.405 120.991 120.570 0.027 0.000 2.270 815 I HA 0.214 4.494 4.170 0.183 0.000 0.300 815 I C 1.244 177.385 176.117 0.041 0.000 1.186 815 I CA 0.042 61.367 61.300 0.041 0.000 1.431 815 I CB 0.699 38.738 38.000 0.065 0.000 1.485 815 I HN 0.109 nan 8.210 nan 0.000 0.650 816 E N 1.956 122.176 120.200 0.033 0.000 2.476 816 E HA 0.020 4.480 4.350 0.183 0.000 0.199 816 E C 0.902 177.525 176.600 0.038 0.000 1.021 816 E CA 0.305 56.722 56.400 0.030 0.000 0.907 816 E CB 0.497 30.206 29.700 0.016 0.000 0.974 816 E HN 0.570 nan 8.360 nan 0.000 0.489 817 T N -1.940 112.639 114.554 0.043 0.000 3.380 817 T HA 0.369 4.829 4.350 0.183 0.000 0.289 817 T C 0.334 175.068 174.700 0.056 0.000 1.012 817 T CA -0.609 61.520 62.100 0.048 0.000 0.944 817 T CB 0.047 68.938 68.868 0.038 0.000 1.172 817 T HN -0.105 nan 8.240 nan 0.000 0.502 818 R N 1.580 122.119 120.500 0.066 0.000 2.754 818 R HA 0.336 4.785 4.340 0.183 0.000 0.255 818 R C -3.340 173.016 176.300 0.093 0.000 1.723 818 R CA -1.377 54.766 56.100 0.072 0.000 1.596 818 R CB 1.002 31.337 30.300 0.058 0.000 1.424 818 R HN 0.148 nan 8.270 nan 0.000 0.662 819 P HA 0.111 nan 4.420 nan 0.000 0.271 819 P C -0.975 176.400 177.300 0.124 0.000 1.218 819 P CA -0.130 63.053 63.100 0.138 0.000 0.780 819 P CB 1.195 32.998 31.700 0.172 0.000 0.901 820 A N 2.363 125.264 122.820 0.134 0.000 2.274 820 A HA 0.285 4.715 4.320 0.183 0.000 0.309 820 A C -0.014 177.633 177.584 0.105 0.000 1.226 820 A CA -0.494 51.608 52.037 0.108 0.000 0.853 820 A CB 0.032 19.095 19.000 0.107 0.000 1.146 820 A HN 0.551 nan 8.150 nan 0.000 0.518 821 Q N 2.099 121.940 119.800 0.069 0.000 2.288 821 Q HA 0.450 4.899 4.340 0.183 0.000 0.258 821 Q C -1.238 174.778 176.000 0.027 0.000 0.957 821 Q CA -0.198 55.635 55.803 0.050 0.000 0.919 821 Q CB 0.802 29.555 28.738 0.026 0.000 1.185 821 Q HN 0.516 nan 8.270 nan 0.000 0.408 822 V N 6.378 126.309 119.914 0.029 0.000 2.328 822 V HA 0.218 4.447 4.120 0.183 0.000 0.278 822 V C -0.053 176.039 176.094 -0.003 0.000 1.021 822 V CA -0.729 61.576 62.300 0.007 0.000 0.838 822 V CB 1.099 32.924 31.823 0.004 0.000 0.999 822 V HN 0.706 nan 8.190 nan 0.000 0.447 823 I N 5.855 126.429 120.570 0.008 0.000 2.311 823 I HA 0.164 4.444 4.170 0.183 0.000 0.297 823 I C 0.198 176.391 176.117 0.125 0.000 1.131 823 I CA -0.104 61.226 61.300 0.050 0.000 1.289 823 I CB 0.170 38.196 38.000 0.042 0.000 1.446 823 I HN 0.323 nan 8.210 nan 0.000 0.524 824 L N 8.869 130.106 121.223 0.024 0.000 2.410 824 L HA 0.217 4.667 4.340 0.183 0.000 0.273 824 L C -1.987 174.860 176.870 -0.037 0.000 1.144 824 L CA -1.156 53.664 54.840 -0.032 0.000 0.863 824 L CB 0.480 42.444 42.059 -0.157 0.000 1.140 824 L HN 0.248 nan 8.230 nan 0.000 0.463 825 P HA 0.299 nan 4.420 nan 0.000 0.274 825 P C -0.294 176.856 177.300 -0.251 0.000 1.470 825 P CA -0.144 62.722 63.100 -0.390 0.000 1.001 825 P CB 0.606 31.788 31.700 -0.863 0.000 1.332 826 M N 1.252 120.760 119.600 -0.154 0.000 2.471 826 M HA 0.432 5.022 4.480 0.183 0.000 0.309 826 M C 0.610 176.860 176.300 -0.083 0.000 1.186 826 M CA -0.225 55.018 55.300 -0.095 0.000 1.008 826 M CB 1.390 33.970 32.600 -0.034 0.000 1.551 826 M HN 0.102 nan 8.290 nan 0.000 0.477 827 S N -0.014 115.654 115.700 -0.053 0.000 2.513 827 S HA 0.590 5.170 4.470 0.183 0.000 0.299 827 S C -2.261 172.208 174.600 -0.217 0.000 1.087 827 S CA -1.654 56.498 58.200 -0.080 0.000 1.012 827 S CB 1.225 64.407 63.200 -0.029 0.000 1.044 827 S HN 0.413 nan 8.310 nan 0.000 0.485 828 P HA 0.243 nan 4.420 nan 0.000 0.245 828 P C -0.595 176.569 177.300 -0.228 0.000 1.206 828 P CA 0.267 63.270 63.100 -0.162 0.000 0.781 828 P CB 0.055 31.743 31.700 -0.020 0.000 0.994 829 N N 0.524 119.074 118.700 -0.249 0.000 2.790 829 N HA 0.093 4.943 4.740 0.183 0.000 0.256 829 N C -0.736 174.739 175.510 -0.059 0.000 1.409 829 N CA -0.300 52.704 53.050 -0.077 0.000 0.799 829 N CB 0.242 38.854 38.487 0.209 0.000 1.170 829 N HN 0.161 nan 8.380 nan 0.000 0.507 830 H N 0.552 119.679 119.070 0.096 0.000 3.157 830 H HA 0.150 4.815 4.556 0.183 0.000 0.260 830 H C 1.382 176.760 175.328 0.083 0.000 1.232 830 H CA 0.155 56.252 56.048 0.081 0.000 1.488 830 H CB -0.029 29.759 29.762 0.044 0.000 1.548 830 H HN 0.737 nan 8.280 nan 0.000 0.487 831 G N 3.598 112.527 108.800 0.214 0.000 2.249 831 G HA2 -0.355 3.715 3.960 0.183 0.000 0.273 831 G HA3 -0.355 3.715 3.960 0.183 0.000 0.273 831 G C 1.223 176.182 174.900 0.098 0.000 1.036 831 G CA 0.817 46.012 45.100 0.159 0.000 0.824 831 G HN 0.569 nan 8.290 nan 0.000 0.504 832 T N -0.557 114.040 114.554 0.072 0.000 2.770 832 T HA 0.225 4.685 4.350 0.183 0.000 0.263 832 T C 1.238 175.829 174.700 -0.182 0.000 1.039 832 T CA 1.118 63.153 62.100 -0.108 0.000 1.142 832 T CB -0.045 68.670 68.868 -0.255 0.000 0.868 832 T HN 0.334 nan 8.240 nan 0.000 0.435 833 F N 0.423 120.404 119.950 0.051 0.000 2.348 833 F HA 0.540 5.177 4.527 0.183 0.000 0.308 833 F C 1.767 177.586 175.800 0.032 0.000 1.175 833 F CA -0.699 57.324 58.000 0.038 0.000 1.080 833 F CB -0.256 38.751 39.000 0.011 0.000 1.341 833 F HN 0.118 nan 8.300 nan 0.000 0.518 834 G N -0.078 108.867 108.800 0.241 0.000 2.199 834 G HA2 0.157 4.227 3.960 0.183 0.000 0.207 834 G HA3 0.157 4.227 3.960 0.183 0.000 0.207 834 G C 0.462 175.429 174.900 0.113 0.000 1.564 834 G CA -0.033 45.148 45.100 0.135 0.000 1.023 834 G HN 0.937 nan 8.290 nan 0.000 0.445 835 G N -0.138 108.712 108.800 0.083 0.000 2.865 835 G HA2 0.356 4.426 3.960 0.183 0.000 0.292 835 G HA3 0.356 4.426 3.960 0.183 0.000 0.292 835 G C 0.534 175.471 174.900 0.062 0.000 0.800 835 G CA 0.006 45.153 45.100 0.078 0.000 1.838 835 G HN 0.439 nan 8.290 nan 0.000 0.535 836 D N 1.897 122.347 120.400 0.083 0.000 2.354 836 D HA -0.060 4.690 4.640 0.183 0.000 0.216 836 D C 2.056 178.420 176.300 0.107 0.000 0.970 836 D CA 1.234 55.286 54.000 0.087 0.000 0.905 836 D CB 0.398 41.316 40.800 0.197 0.000 0.903 836 D HN 0.630 nan 8.370 nan 0.000 0.508 837 G N 1.435 110.294 108.800 0.098 0.000 2.687 837 G HA2 -0.375 3.695 3.960 0.183 0.000 0.303 837 G HA3 -0.375 3.695 3.960 0.183 0.000 0.303 837 G C 0.543 175.509 174.900 0.110 0.000 1.209 837 G CA 0.415 45.577 45.100 0.103 0.000 0.968 837 G HN 0.354 nan 8.290 nan 0.000 0.549 838 M N 0.296 119.978 119.600 0.137 0.000 2.603 838 M HA 0.420 5.010 4.480 0.183 0.000 0.380 838 M C 1.213 177.622 176.300 0.181 0.000 1.158 838 M CA -0.035 55.329 55.300 0.108 0.000 0.921 838 M CB 0.513 33.140 32.600 0.044 0.000 1.417 838 M HN 0.576 nan 8.290 nan 0.000 0.523 839 Y N 0.227 120.576 120.300 0.081 0.000 2.114 839 Y HA -0.200 4.460 4.550 0.183 0.000 0.284 839 Y C 2.099 178.055 175.900 0.094 0.000 1.143 839 Y CA 2.464 60.609 58.100 0.075 0.000 1.135 839 Y CB -0.117 38.367 38.460 0.039 0.000 0.980 839 Y HN 0.222 nan 8.280 nan 0.000 0.499 840 S N 0.300 116.121 115.700 0.202 0.000 2.383 840 S HA -0.217 4.363 4.470 0.183 0.000 0.229 840 S C 1.653 176.284 174.600 0.052 0.000 1.030 840 S CA 1.630 59.916 58.200 0.143 0.000 1.002 840 S CB -0.335 63.007 63.200 0.236 0.000 0.829 840 S HN 0.517 nan 8.310 nan 0.000 0.467 841 E N 1.490 121.721 120.200 0.052 0.000 2.047 841 E HA -0.055 4.405 4.350 0.183 0.000 0.191 841 E C 2.397 179.060 176.600 0.107 0.000 0.987 841 E CA 1.339 57.763 56.400 0.040 0.000 0.799 841 E CB -0.342 29.343 29.700 -0.024 0.000 0.752 841 E HN 0.395 nan 8.360 nan 0.000 0.449 842 S N 0.806 116.594 115.700 0.146 0.000 2.359 842 S HA -0.138 4.442 4.470 0.183 0.000 0.224 842 S C 1.711 176.223 174.600 -0.147 0.000 1.035 842 S CA 1.058 59.257 58.200 -0.002 0.000 1.018 842 S CB -0.166 62.986 63.200 -0.080 0.000 0.876 842 S HN 0.102 nan 8.310 nan 0.000 0.448 843 K N 0.834 121.091 120.400 -0.238 0.000 2.217 843 K HA 0.141 4.571 4.320 0.183 0.000 0.202 843 K C 1.981 178.535 176.600 -0.077 0.000 1.051 843 K CA 0.470 56.621 56.287 -0.227 0.000 0.952 843 K CB -0.508 31.762 32.500 -0.384 0.000 0.736 843 K HN 0.308 nan 8.250 nan 0.000 0.453 844 L N 0.822 121.977 121.223 -0.114 0.000 2.209 844 L HA 0.033 4.483 4.340 0.183 0.000 0.207 844 L C 1.942 178.724 176.870 -0.146 0.000 1.094 844 L CA 1.333 56.007 54.840 -0.276 0.000 0.790 844 L CB -0.307 41.438 42.059 -0.524 0.000 0.932 844 L HN -0.075 nan 8.230 nan 0.000 0.447 845 S N -0.087 115.561 115.700 -0.088 0.000 2.370 845 S HA -0.158 4.422 4.470 0.183 0.000 0.226 845 S C 1.907 176.463 174.600 -0.073 0.000 1.033 845 S CA 1.655 59.824 58.200 -0.053 0.000 1.011 845 S CB -0.518 62.668 63.200 -0.023 0.000 0.852 845 S HN 0.470 nan 8.310 nan 0.000 0.457 846 L N 1.335 122.492 121.223 -0.110 0.000 2.137 846 L HA -0.214 4.236 4.340 0.183 0.000 0.213 846 L C 2.163 178.930 176.870 -0.173 0.000 1.085 846 L CA 1.345 56.097 54.840 -0.146 0.000 0.760 846 L CB -0.707 41.252 42.059 -0.167 0.000 0.893 846 L HN 0.410 nan 8.230 nan 0.000 0.434 847 E N -0.693 119.445 120.200 -0.104 0.000 2.516 847 E HA -0.130 4.330 4.350 0.183 0.000 0.199 847 E C 1.923 178.563 176.600 0.067 0.000 1.069 847 E CA 1.164 57.546 56.400 -0.030 0.000 0.876 847 E CB -0.037 29.728 29.700 0.109 0.000 0.843 847 E HN 0.616 nan 8.360 nan 0.000 0.530 848 T N -1.216 113.357 114.554 0.031 0.000 3.035 848 T HA -0.020 4.440 4.350 0.183 0.000 0.268 848 T C 1.822 176.601 174.700 0.131 0.000 1.109 848 T CA 0.297 62.460 62.100 0.105 0.000 1.119 848 T CB -0.182 68.735 68.868 0.082 0.000 0.900 848 T HN 0.116 nan 8.240 nan 0.000 0.503 849 L N -0.802 120.429 121.223 0.014 0.000 2.362 849 L HA 0.142 4.592 4.340 0.183 0.000 0.219 849 L C 1.971 178.933 176.870 0.153 0.000 1.134 849 L CA 0.653 55.562 54.840 0.116 0.000 0.807 849 L CB -0.735 41.322 42.059 -0.003 0.000 0.927 849 L HN 0.156 nan 8.230 nan 0.000 0.447 850 F N 0.568 120.624 119.950 0.176 0.000 2.451 850 F HA -0.122 4.515 4.527 0.183 0.000 0.299 850 F C 1.961 177.944 175.800 0.305 0.000 1.101 850 F CA 0.849 58.965 58.000 0.193 0.000 1.436 850 F CB -0.402 38.709 39.000 0.186 0.000 1.074 850 F HN 0.210 nan 8.300 nan 0.000 0.553 851 N N -1.025 117.942 118.700 0.445 0.000 2.564 851 N HA 0.076 4.926 4.740 0.183 0.000 0.202 851 N C 1.747 177.431 175.510 0.289 0.000 1.052 851 N CA 0.226 53.511 53.050 0.392 0.000 0.872 851 N CB -0.328 38.344 38.487 0.308 0.000 1.303 851 N HN -0.017 nan 8.380 nan 0.000 0.440 852 R N -0.037 120.625 120.500 0.269 0.000 2.139 852 R HA -0.135 4.314 4.340 0.183 0.000 0.243 852 R C 1.670 177.954 176.300 -0.028 0.000 1.145 852 R CA 1.368 57.620 56.100 0.254 0.000 0.976 852 R CB -0.305 30.281 30.300 0.476 0.000 0.866 852 R HN 0.333 nan 8.270 nan 0.000 0.449 853 W N 0.281 121.374 121.300 -0.344 0.000 2.338 853 W HA -0.238 4.532 4.660 0.183 0.000 0.304 853 W C 1.665 177.765 176.519 -0.699 0.000 1.212 853 W CA 2.177 58.946 57.345 -0.961 0.000 1.264 853 W CB -0.224 28.873 29.460 -0.606 0.000 1.142 853 W HN 0.236 nan 8.180 nan 0.000 0.512 854 H N -1.496 117.553 119.070 -0.036 0.000 2.372 854 H HA -0.082 4.584 4.556 0.183 0.000 0.301 854 H C 2.605 177.818 175.328 -0.191 0.000 1.065 854 H CA 2.062 58.048 56.048 -0.103 0.000 1.364 854 H CB -0.370 29.456 29.762 0.108 0.000 1.406 854 H HN 0.105 nan 8.280 nan 0.000 0.521 855 S N -0.074 115.632 115.700 0.010 0.000 2.446 855 S HA -0.011 4.569 4.470 0.183 0.000 0.225 855 S C 1.044 175.607 174.600 -0.061 0.000 1.016 855 S CA 0.269 58.470 58.200 0.002 0.000 0.943 855 S CB 0.313 63.550 63.200 0.062 0.000 0.786 855 S HN 0.372 nan 8.310 nan 0.000 0.508 856 E N 1.228 121.345 120.200 -0.138 0.000 3.769 856 E HA 0.431 4.891 4.350 0.183 0.000 0.318 856 E C -0.051 176.378 176.600 -0.285 0.000 0.894 856 E CA 0.090 56.420 56.400 -0.117 0.000 1.973 856 E CB 0.538 30.298 29.700 0.100 0.000 1.858 856 E HN 0.436 nan 8.360 nan 0.000 0.628 857 S N -0.372 115.190 115.700 -0.231 0.000 2.941 857 S HA 0.139 4.718 4.470 0.183 0.000 0.248 857 S C -0.171 174.360 174.600 -0.115 0.000 0.962 857 S CA -0.876 57.203 58.200 -0.202 0.000 1.092 857 S CB -0.377 62.785 63.200 -0.064 0.000 1.113 857 S HN 0.630 nan 8.310 nan 0.000 0.512 858 W N -0.140 121.046 121.300 -0.190 0.000 2.966 858 W HA 0.661 5.431 4.660 0.183 0.000 0.406 858 W C 0.827 177.218 176.519 -0.214 0.000 1.027 858 W CA -0.257 56.998 57.345 -0.150 0.000 1.930 858 W CB -0.835 28.575 29.460 -0.084 0.000 1.144 858 W HN 0.398 nan 8.180 nan 0.000 0.626 859 A N 2.086 124.542 122.820 -0.607 0.000 2.125 859 A HA -0.192 4.238 4.320 0.183 0.000 0.219 859 A C 1.734 179.192 177.584 -0.210 0.000 1.156 859 A CA 1.325 52.820 52.037 -0.903 0.000 0.671 859 A CB -0.711 17.336 19.000 -1.589 0.000 0.794 859 A HN 0.381 nan 8.150 nan 0.000 0.459 860 N N -1.191 117.457 118.700 -0.086 0.000 2.280 860 N HA 0.006 4.856 4.740 0.183 0.000 0.192 860 N C 1.004 176.574 175.510 0.100 0.000 1.109 860 N CA 0.409 53.480 53.050 0.035 0.000 0.855 860 N CB 0.252 38.741 38.487 0.004 0.000 0.974 860 N HN 0.473 nan 8.380 nan 0.000 0.482 861 Q N -0.092 119.792 119.800 0.140 0.000 2.390 861 Q HA 0.303 4.753 4.340 0.183 0.000 0.216 861 Q C -0.165 175.968 176.000 0.223 0.000 0.916 861 Q CA 0.623 56.522 55.803 0.160 0.000 0.911 861 Q CB 0.800 29.619 28.738 0.135 0.000 1.035 861 Q HN 0.079 nan 8.270 nan 0.000 0.541 862 L N 0.235 121.677 121.223 0.366 0.000 2.354 862 L HA 0.609 5.059 4.340 0.183 0.000 0.264 862 L C -0.297 176.927 176.870 0.590 0.000 1.008 862 L CA -0.457 54.641 54.840 0.430 0.000 0.819 862 L CB 1.715 44.054 42.059 0.467 0.000 1.339 862 L HN 0.096 nan 8.230 nan 0.000 0.420 863 T N -1.317 113.469 114.554 0.386 0.000 2.876 863 T HA 0.676 5.136 4.350 0.183 0.000 0.289 863 T C -0.325 174.414 174.700 0.064 0.000 1.014 863 T CA -0.775 61.453 62.100 0.213 0.000 0.986 863 T CB 2.040 70.942 68.868 0.057 0.000 1.021 863 T HN 0.464 nan 8.240 nan 0.000 0.458 864 V N 0.044 119.877 119.914 -0.135 0.000 2.439 864 V HA 0.723 4.953 4.120 0.183 0.000 0.282 864 V C -0.228 175.813 176.094 -0.088 0.000 1.039 864 V CA -0.835 61.413 62.300 -0.087 0.000 0.913 864 V CB 0.458 32.206 31.823 -0.125 0.000 0.983 864 V HN 1.209 nan 8.190 nan 0.000 0.460 865 C N 6.121 125.389 119.300 -0.054 0.000 2.653 865 C HA 0.783 5.353 4.460 0.183 0.000 0.291 865 C C 0.794 175.780 174.990 -0.007 0.000 1.064 865 C CA 0.080 59.090 59.018 -0.014 0.000 1.469 865 C CB -0.569 27.157 27.740 -0.023 0.000 1.861 865 C HN 1.346 nan 8.230 nan 0.000 0.434 866 G N 4.150 112.994 108.800 0.073 0.000 2.351 866 G HA2 0.555 4.625 3.960 0.183 0.000 0.287 866 G HA3 0.555 4.625 3.960 0.183 0.000 0.287 866 G C 0.022 174.931 174.900 0.015 0.000 1.159 866 G CA 0.101 45.245 45.100 0.072 0.000 0.929 866 G HN 1.270 nan 8.290 nan 0.000 0.435 867 A N 3.372 126.184 122.820 -0.014 0.000 2.276 867 A HA 0.647 5.077 4.320 0.183 0.000 0.316 867 A C 0.167 177.719 177.584 -0.054 0.000 1.229 867 A CA -0.677 51.338 52.037 -0.037 0.000 0.851 867 A CB 0.520 19.528 19.000 0.013 0.000 1.165 867 A HN 0.708 nan 8.150 nan 0.000 0.513 868 I N 3.896 124.423 120.570 -0.072 0.000 2.269 868 I HA 0.145 4.424 4.170 0.183 0.000 0.293 868 I C -0.655 175.423 176.117 -0.066 0.000 1.106 868 I CA -0.330 60.931 61.300 -0.066 0.000 1.248 868 I CB 0.145 38.104 38.000 -0.068 0.000 1.444 868 I HN 0.449 nan 8.210 nan 0.000 0.497 869 I N 5.070 125.599 120.570 -0.068 0.000 2.533 869 I HA 0.161 4.440 4.170 0.183 0.000 0.284 869 I C 1.263 177.362 176.117 -0.029 0.000 1.109 869 I CA 0.742 62.002 61.300 -0.066 0.000 1.412 869 I CB 0.719 38.673 38.000 -0.078 0.000 1.396 869 I HN 0.561 nan 8.210 nan 0.000 0.543 870 G N 5.307 114.091 108.800 -0.026 0.000 2.574 870 G HA2 0.050 4.120 3.960 0.183 0.000 0.248 870 G HA3 0.050 4.120 3.960 0.183 0.000 0.248 870 G C -1.016 174.019 174.900 0.225 0.000 1.422 870 G CA -0.538 44.639 45.100 0.128 0.000 1.051 870 G HN 0.608 nan 8.290 nan 0.000 0.560 871 W N 1.787 123.211 121.300 0.206 0.000 2.529 871 W HA 0.419 5.189 4.660 0.183 0.000 0.319 871 W C -0.863 175.785 176.519 0.216 0.000 1.362 871 W CA 0.085 57.528 57.345 0.165 0.000 1.348 871 W CB -0.064 29.485 29.460 0.148 0.000 1.403 871 W HN 0.117 nan 8.180 nan 0.000 0.519 872 T N 7.809 122.470 114.554 0.178 0.000 2.786 872 T HA 0.389 4.849 4.350 0.183 0.000 0.283 872 T C -0.062 174.712 174.700 0.123 0.000 0.992 872 T CA -0.641 61.584 62.100 0.210 0.000 0.954 872 T CB 1.020 69.955 68.868 0.112 0.000 0.934 872 T HN 0.247 nan 8.240 nan 0.000 0.440 873 R N 1.799 122.427 120.500 0.214 0.000 2.357 873 R HA 0.755 5.204 4.340 0.183 0.000 0.296 873 R C 0.445 176.803 176.300 0.097 0.000 1.052 873 R CA -0.880 55.307 56.100 0.145 0.000 0.988 873 R CB 1.070 31.497 30.300 0.212 0.000 1.025 873 R HN 0.737 nan 8.270 nan 0.000 0.469 874 G N 0.661 109.486 108.800 0.042 0.000 2.600 874 G HA2 0.288 4.358 3.960 0.183 0.000 0.293 874 G HA3 0.288 4.358 3.960 0.183 0.000 0.293 874 G C -0.691 174.216 174.900 0.012 0.000 1.408 874 G CA -0.847 44.277 45.100 0.040 0.000 0.782 874 G HN 0.458 nan 8.290 nan 0.000 0.482 882 N N 0.899 119.492 118.700 -0.177 0.000 2.422 882 N HA 0.156 5.006 4.740 0.183 0.000 0.181 882 N C 1.716 177.049 175.510 -0.294 0.000 1.080 882 N CA 0.831 53.719 53.050 -0.270 0.000 0.893 882 N CB 0.006 38.026 38.487 -0.778 0.000 0.973 882 N HN 0.682 nan 8.380 nan 0.000 0.456 883 I N -0.595 119.842 120.570 -0.221 0.000 2.423 883 I HA -0.134 4.146 4.170 0.183 0.000 0.254 883 I C 1.768 177.894 176.117 0.014 0.000 1.151 883 I CA 1.248 62.521 61.300 -0.045 0.000 1.421 883 I CB -0.414 37.573 38.000 -0.022 0.000 1.079 883 I HN -0.004 nan 8.210 nan 0.000 0.431 884 I N -1.220 119.351 120.570 0.001 0.000 3.883 884 I HA 0.391 4.671 4.170 0.183 0.000 0.326 884 I C 2.389 178.450 176.117 -0.094 0.000 1.283 884 I CA 0.545 61.825 61.300 -0.032 0.000 1.161 884 I CB -0.180 37.804 38.000 -0.027 0.000 1.012 884 I HN 0.097 nan 8.210 nan 0.000 0.421 885 A N 2.036 124.833 122.820 -0.038 0.000 1.883 885 A HA -0.285 4.145 4.320 0.183 0.000 0.217 885 A C 2.395 179.901 177.584 -0.130 0.000 1.186 885 A CA 2.266 54.219 52.037 -0.140 0.000 0.624 885 A CB -0.784 18.256 19.000 0.068 0.000 0.822 885 A HN 0.671 nan 8.150 nan 0.000 0.444 886 E N -0.637 119.564 120.200 0.000 0.000 2.160 886 E HA -0.119 4.341 4.350 0.183 0.000 0.195 886 E C 1.946 178.518 176.600 -0.048 0.000 0.991 886 E CA 1.177 57.571 56.400 -0.010 0.000 0.810 886 E CB -0.417 29.304 29.700 0.034 0.000 0.742 886 E HN 0.523 nan 8.360 nan 0.000 0.466 887 G N 0.956 109.717 108.800 -0.065 0.000 2.396 887 G HA2 -0.218 3.852 3.960 0.183 0.000 0.214 887 G HA3 -0.218 3.852 3.960 0.183 0.000 0.214 887 G C 1.511 176.394 174.900 -0.029 0.000 1.166 887 G CA 0.574 45.640 45.100 -0.057 0.000 0.793 887 G HN 0.326 nan 8.290 nan 0.000 0.533 888 I N 0.805 121.296 120.570 -0.132 0.000 2.264 888 I HA -0.098 4.182 4.170 0.183 0.000 0.248 888 I C 2.433 178.513 176.117 -0.061 0.000 1.111 888 I CA 1.686 62.948 61.300 -0.064 0.000 1.382 888 I CB -0.168 37.560 38.000 -0.452 0.000 1.060 888 I HN 0.326 nan 8.210 nan 0.000 0.418 889 E N 0.138 120.251 120.200 -0.145 0.000 2.204 889 E HA -0.257 4.203 4.350 0.183 0.000 0.194 889 E C 1.965 178.532 176.600 -0.054 0.000 0.989 889 E CA 0.732 57.055 56.400 -0.129 0.000 0.824 889 E CB -0.099 29.514 29.700 -0.146 0.000 0.756 889 E HN 0.363 nan 8.360 nan 0.000 0.477 890 K N -0.293 120.100 120.400 -0.011 0.000 2.574 890 K HA -0.014 4.416 4.320 0.183 0.000 0.193 890 K C 0.840 177.457 176.600 0.028 0.000 1.035 890 K CA 0.518 56.814 56.287 0.015 0.000 0.982 890 K CB 0.194 32.715 32.500 0.036 0.000 0.795 890 K HN 0.187 nan 8.250 nan 0.000 0.491 891 M N -0.712 118.901 119.600 0.021 0.000 2.484 891 M HA 0.152 4.742 4.480 0.183 0.000 0.307 891 M C 0.498 176.797 176.300 -0.003 0.000 1.149 891 M CA 0.217 55.514 55.300 -0.005 0.000 0.972 891 M CB 1.353 33.916 32.600 -0.061 0.000 1.400 891 M HN 0.286 nan 8.290 nan 0.000 0.508 892 G N 1.475 110.281 108.800 0.009 0.000 2.137 892 G HA2 -0.182 3.888 3.960 0.183 0.000 0.237 892 G HA3 -0.182 3.888 3.960 0.183 0.000 0.237 892 G C -0.201 174.749 174.900 0.083 0.000 1.002 892 G CA -0.107 45.029 45.100 0.060 0.000 0.702 892 G HN 0.349 nan 8.290 nan 0.000 0.515 893 V N 0.055 119.942 119.914 -0.045 0.000 2.667 893 V HA 0.697 4.927 4.120 0.183 0.000 0.308 893 V C 0.694 176.570 176.094 -0.363 0.000 1.048 893 V CA -1.052 61.163 62.300 -0.142 0.000 0.928 893 V CB 1.937 33.737 31.823 -0.037 0.000 1.004 893 V HN 0.369 nan 8.190 nan 0.000 0.444 894 R N 1.594 121.730 120.500 -0.606 0.000 2.393 894 R HA 0.591 5.041 4.340 0.183 0.000 0.310 894 R C -0.143 175.855 176.300 -0.503 0.000 0.968 894 R CA -0.254 55.447 56.100 -0.664 0.000 0.867 894 R CB 1.716 31.409 30.300 -1.012 0.000 1.124 894 R HN 1.001 nan 8.270 nan 0.000 0.450 895 T N 0.119 114.423 114.554 -0.418 0.000 2.944 895 T HA 0.575 5.035 4.350 0.183 0.000 0.284 895 T C -0.382 174.133 174.700 -0.308 0.000 1.010 895 T CA -0.495 61.514 62.100 -0.152 0.000 1.025 895 T CB 0.938 69.774 68.868 -0.053 0.000 1.079 895 T HN 0.291 nan 8.240 nan 0.000 0.516 896 F N 0.623 120.687 119.950 0.189 0.000 2.563 896 F HA 0.583 5.220 4.527 0.183 0.000 0.316 896 F C 0.873 176.763 175.800 0.149 0.000 1.076 896 F CA -0.923 57.180 58.000 0.171 0.000 0.921 896 F CB 2.275 41.391 39.000 0.193 0.000 1.209 896 F HN 0.906 nan 8.300 nan 0.000 0.462 897 S N 0.783 116.648 115.700 0.275 0.000 2.645 897 S HA 0.226 4.806 4.470 0.183 0.000 0.266 897 S C 0.614 175.325 174.600 0.184 0.000 1.258 897 S CA -0.567 57.744 58.200 0.186 0.000 0.990 897 S CB 1.219 64.483 63.200 0.106 0.000 0.967 897 S HN 0.780 nan 8.310 nan 0.000 0.556 898 Q N 0.466 120.345 119.800 0.131 0.000 2.119 898 Q HA -0.054 4.396 4.340 0.183 0.000 0.201 898 Q C 1.978 178.038 176.000 0.101 0.000 0.972 898 Q CA 1.125 56.995 55.803 0.113 0.000 0.847 898 Q CB -0.227 28.562 28.738 0.086 0.000 0.903 898 Q HN 0.671 nan 8.270 nan 0.000 0.433 899 K N 0.786 121.232 120.400 0.077 0.000 2.152 899 K HA -0.187 4.243 4.320 0.183 0.000 0.206 899 K C 1.796 178.444 176.600 0.080 0.000 1.048 899 K CA 1.165 57.491 56.287 0.065 0.000 0.933 899 K CB 0.032 32.546 32.500 0.023 0.000 0.721 899 K HN 0.286 nan 8.250 nan 0.000 0.447 900 E N 0.136 120.377 120.200 0.068 0.000 2.046 900 E HA -0.080 4.380 4.350 0.183 0.000 0.190 900 E C 2.059 178.791 176.600 0.220 0.000 0.982 900 E CA 0.816 57.252 56.400 0.060 0.000 0.800 900 E CB 0.092 29.866 29.700 0.122 0.000 0.756 900 E HN 0.130 nan 8.360 nan 0.000 0.449 901 M N 0.233 119.941 119.600 0.178 0.000 2.159 901 M HA -0.084 4.506 4.480 0.183 0.000 0.263 901 M C 2.334 178.708 176.300 0.123 0.000 1.063 901 M CA 1.091 56.447 55.300 0.094 0.000 1.110 901 M CB -0.790 31.842 32.600 0.054 0.000 1.374 901 M HN 0.124 nan 8.290 nan 0.000 0.411 902 A N -0.587 122.310 122.820 0.129 0.000 1.930 902 A HA -0.198 4.232 4.320 0.183 0.000 0.217 902 A C 2.055 179.722 177.584 0.138 0.000 1.175 902 A CA 1.233 53.321 52.037 0.085 0.000 0.627 902 A CB -1.027 18.004 19.000 0.052 0.000 0.815 902 A HN 0.457 nan 8.150 nan 0.000 0.443 903 F N 1.633 121.646 119.950 0.105 0.000 2.134 903 F HA -0.190 4.447 4.527 0.183 0.000 0.299 903 F C 1.920 177.842 175.800 0.203 0.000 1.097 903 F CA 1.935 60.062 58.000 0.212 0.000 1.264 903 F CB -0.276 38.811 39.000 0.145 0.000 1.001 903 F HN 0.204 nan 8.300 nan 0.000 0.479 904 N N 1.016 119.829 118.700 0.189 0.000 2.058 904 N HA -0.178 4.672 4.740 0.183 0.000 0.191 904 N C 2.054 177.635 175.510 0.118 0.000 1.037 904 N CA 1.918 55.057 53.050 0.149 0.000 0.848 904 N CB -0.830 37.785 38.487 0.213 0.000 1.021 904 N HN 0.352 nan 8.380 nan 0.000 0.422 905 L N 0.675 121.943 121.223 0.075 0.000 2.017 905 L HA -0.110 4.340 4.340 0.183 0.000 0.208 905 L C 2.267 179.130 176.870 -0.013 0.000 1.073 905 L CA 0.841 55.702 54.840 0.035 0.000 0.745 905 L CB -0.543 41.521 42.059 0.007 0.000 0.894 905 L HN 0.142 nan 8.230 nan 0.000 0.432 906 L N -0.244 120.941 121.223 -0.064 0.000 2.129 906 L HA -0.196 4.254 4.340 0.183 0.000 0.212 906 L C 2.532 179.438 176.870 0.059 0.000 1.087 906 L CA 1.295 56.090 54.840 -0.076 0.000 0.757 906 L CB -1.060 40.913 42.059 -0.144 0.000 0.896 906 L HN 0.388 nan 8.230 nan 0.000 0.434 907 G N -0.217 108.580 108.800 -0.005 0.000 2.498 907 G HA2 -0.165 3.905 3.960 0.183 0.000 0.219 907 G HA3 -0.165 3.905 3.960 0.183 0.000 0.219 907 G C 1.480 176.525 174.900 0.241 0.000 1.119 907 G CA 0.250 45.365 45.100 0.026 0.000 0.766 907 G HN 0.329 nan 8.290 nan 0.000 0.552 908 L N -0.231 121.122 121.223 0.216 0.000 2.554 908 L HA 0.274 4.724 4.340 0.183 0.000 0.226 908 L C 2.036 178.967 176.870 0.102 0.000 1.137 908 L CA 0.070 55.005 54.840 0.157 0.000 0.863 908 L CB 0.045 42.136 42.059 0.052 0.000 0.985 908 L HN 0.150 nan 8.230 nan 0.000 0.451 909 L N -0.718 120.572 121.223 0.111 0.000 2.607 909 L HA 0.104 4.554 4.340 0.183 0.000 0.228 909 L C 1.206 178.219 176.870 0.238 0.000 1.123 909 L CA -0.162 54.751 54.840 0.122 0.000 0.890 909 L CB -0.286 41.770 42.059 -0.006 0.000 1.103 909 L HN 0.265 nan 8.230 nan 0.000 0.468 910 T N -2.992 111.690 114.554 0.213 0.000 2.930 910 T HA 0.100 4.560 4.350 0.183 0.000 0.306 910 T C -1.555 173.217 174.700 0.120 0.000 1.045 910 T CA -1.304 60.890 62.100 0.157 0.000 1.134 910 T CB 1.105 70.035 68.868 0.104 0.000 0.961 910 T HN -0.144 nan 8.240 nan 0.000 0.545 911 P HA -0.206 nan 4.420 nan 0.000 0.218 911 P C 1.402 178.746 177.300 0.073 0.000 1.152 911 P CA 1.530 64.676 63.100 0.076 0.000 0.857 911 P CB 0.060 31.793 31.700 0.054 0.000 0.787 912 E N -0.628 119.618 120.200 0.076 0.000 2.017 912 E HA -0.145 4.314 4.350 0.183 0.000 0.193 912 E C 2.063 178.716 176.600 0.089 0.000 0.997 912 E CA 1.582 58.029 56.400 0.078 0.000 0.804 912 E CB -1.078 28.671 29.700 0.082 0.000 0.757 912 E HN 0.201 nan 8.360 nan 0.000 0.448 913 V N 0.611 120.592 119.914 0.113 0.000 3.041 913 V HA -0.085 4.145 4.120 0.183 0.000 0.260 913 V C 2.057 178.193 176.094 0.070 0.000 1.105 913 V CA 0.743 63.107 62.300 0.108 0.000 1.125 913 V CB 0.143 32.066 31.823 0.167 0.000 0.730 913 V HN 0.064 nan 8.190 nan 0.000 0.479 914 V N 0.637 120.596 119.914 0.075 0.000 2.295 914 V HA -0.226 4.004 4.120 0.183 0.000 0.246 914 V C 2.655 178.779 176.094 0.051 0.000 1.049 914 V CA 2.649 64.985 62.300 0.060 0.000 1.024 914 V CB -0.592 31.273 31.823 0.071 0.000 0.648 914 V HN 0.704 nan 8.190 nan 0.000 0.447 915 E N -0.381 119.853 120.200 0.056 0.000 2.150 915 E HA -0.186 4.273 4.350 0.183 0.000 0.193 915 E C 2.289 178.915 176.600 0.043 0.000 0.985 915 E CA 0.849 57.281 56.400 0.053 0.000 0.814 915 E CB -0.036 29.697 29.700 0.054 0.000 0.752 915 E HN 0.544 nan 8.360 nan 0.000 0.466 916 L N 0.346 121.592 121.223 0.039 0.000 1.990 916 L HA -0.289 4.161 4.340 0.183 0.000 0.213 916 L C 2.544 179.408 176.870 -0.011 0.000 1.072 916 L CA 1.447 56.302 54.840 0.025 0.000 0.755 916 L CB -0.300 41.780 42.059 0.035 0.000 0.889 916 L HN 0.352 nan 8.230 nan 0.000 0.432 917 C N -0.353 118.931 119.300 -0.026 0.000 2.403 917 C HA -0.217 4.353 4.460 0.183 0.000 0.277 917 C C 2.663 177.576 174.990 -0.128 0.000 1.248 917 C CA 0.978 59.939 59.018 -0.094 0.000 1.762 917 C CB -0.968 26.737 27.740 -0.060 0.000 2.014 917 C HN 0.580 nan 8.230 nan 0.000 0.486 918 Q N -0.026 119.769 119.800 -0.007 0.000 2.369 918 Q HA -0.165 4.285 4.340 0.183 0.000 0.206 918 Q C 2.148 178.216 176.000 0.114 0.000 0.963 918 Q CA 1.044 56.896 55.803 0.083 0.000 0.894 918 Q CB -0.064 28.737 28.738 0.105 0.000 0.965 918 Q HN 0.685 nan 8.270 nan 0.000 0.475 919 K N 0.596 121.023 120.400 0.045 0.000 2.128 919 K HA -0.027 4.403 4.320 0.183 0.000 0.202 919 K C -0.052 176.589 176.600 0.068 0.000 1.050 919 K CA 1.068 57.408 56.287 0.088 0.000 0.966 919 K CB 0.558 33.096 32.500 0.064 0.000 0.759 919 K HN 0.119 nan 8.250 nan 0.000 0.454 920 S N -0.330 115.294 115.700 -0.126 0.000 2.578 920 S HA 0.322 4.902 4.470 0.183 0.000 0.285 920 S C -3.071 171.329 174.600 -0.333 0.000 1.126 920 S CA -1.588 56.446 58.200 -0.277 0.000 0.878 920 S CB 1.235 64.490 63.200 0.091 0.000 1.091 920 S HN -0.080 nan 8.310 nan 0.000 0.450 921 P HA 0.064 nan 4.420 nan 0.000 0.264 921 P C -0.735 176.578 177.300 0.021 0.000 1.156 921 P CA 0.040 62.987 63.100 -0.254 0.000 0.756 921 P CB 0.241 31.958 31.700 0.028 0.000 0.764 922 V N 4.886 124.810 119.914 0.016 0.000 2.547 922 V HA 0.522 4.752 4.120 0.183 0.000 0.299 922 V C 0.176 176.248 176.094 -0.037 0.000 1.040 922 V CA -0.461 61.841 62.300 0.004 0.000 0.913 922 V CB 1.689 33.492 31.823 -0.035 0.000 0.992 922 V HN 0.536 nan 8.190 nan 0.000 0.449 923 M N 4.272 123.773 119.600 -0.166 0.000 2.197 923 M HA 0.787 5.377 4.480 0.183 0.000 0.301 923 M C -0.757 175.430 176.300 -0.188 0.000 0.987 923 M CA -0.483 54.642 55.300 -0.291 0.000 0.921 923 M CB 1.511 33.618 32.600 -0.822 0.000 1.569 923 M HN 0.739 nan 8.290 nan 0.000 0.431 924 A N 3.664 126.367 122.820 -0.195 0.000 2.304 924 A HA 0.408 4.838 4.320 0.183 0.000 0.314 924 A C -1.083 176.363 177.584 -0.230 0.000 1.187 924 A CA -0.639 51.234 52.037 -0.274 0.000 0.810 924 A CB 0.708 19.466 19.000 -0.403 0.000 1.183 924 A HN 0.794 nan 8.150 nan 0.000 0.487 925 D N 3.413 123.635 120.400 -0.297 0.000 2.393 925 D HA 0.261 5.011 4.640 0.183 0.000 0.232 925 D C -0.167 176.007 176.300 -0.210 0.000 1.192 925 D CA 0.083 53.889 54.000 -0.323 0.000 0.882 925 D CB 0.576 40.940 40.800 -0.726 0.000 1.038 925 D HN 0.519 nan 8.370 nan 0.000 0.499 926 L N 3.790 124.942 121.223 -0.119 0.000 3.034 926 L HA 0.212 4.662 4.340 0.183 0.000 0.245 926 L C 0.380 177.187 176.870 -0.104 0.000 1.295 926 L CA -0.377 54.405 54.840 -0.097 0.000 1.068 926 L CB -0.217 41.769 42.059 -0.120 0.000 1.426 926 L HN 0.132 nan 8.230 nan 0.000 0.531 927 N N 0.882 119.605 118.700 0.038 0.000 2.511 927 N HA 0.221 5.071 4.740 0.183 0.000 0.249 927 N C 0.651 176.358 175.510 0.329 0.000 0.971 927 N CA -0.384 52.768 53.050 0.170 0.000 0.938 927 N CB 1.784 40.343 38.487 0.121 0.000 1.131 927 N HN 0.169 nan 8.380 nan 0.000 0.505 928 G N 1.695 110.799 108.800 0.507 0.000 3.180 928 G HA2 0.335 4.405 3.960 0.183 0.000 0.246 928 G HA3 0.335 4.405 3.960 0.183 0.000 0.246 928 G C 1.066 176.095 174.900 0.216 0.000 0.939 928 G CA 0.099 45.413 45.100 0.358 0.000 1.920 928 G HN 1.020 nan 8.290 nan 0.000 0.612 929 G N -0.145 108.950 108.800 0.490 0.000 2.176 929 G HA2 -0.318 3.752 3.960 0.183 0.000 0.253 929 G HA3 -0.318 3.752 3.960 0.183 0.000 0.253 929 G C 1.246 176.428 174.900 0.469 0.000 0.979 929 G CA 0.284 45.769 45.100 0.641 0.000 0.641 929 G HN 0.495 nan 8.290 nan 0.000 0.530 930 L N 0.396 121.793 121.223 0.290 0.000 2.189 930 L HA -0.230 4.220 4.340 0.183 0.000 0.214 930 L C 3.040 180.006 176.870 0.159 0.000 1.097 930 L CA 2.652 57.629 54.840 0.229 0.000 0.764 930 L CB -0.507 41.718 42.059 0.276 0.000 0.900 930 L HN 0.654 nan 8.230 nan 0.000 0.436 931 Q N -0.998 118.841 119.800 0.064 0.000 2.217 931 Q HA -0.250 4.200 4.340 0.183 0.000 0.209 931 Q C 1.831 177.665 176.000 -0.276 0.000 0.988 931 Q CA 1.894 57.580 55.803 -0.195 0.000 0.878 931 Q CB -0.307 28.143 28.738 -0.480 0.000 0.909 931 Q HN 0.470 nan 8.270 nan 0.000 0.424 932 F N 0.035 120.030 119.950 0.075 0.000 2.446 932 F HA 0.088 4.725 4.527 0.183 0.000 0.292 932 F C 1.153 176.949 175.800 -0.007 0.000 1.096 932 F CA -0.278 57.744 58.000 0.037 0.000 1.438 932 F CB 0.192 39.219 39.000 0.044 0.000 1.107 932 F HN -0.088 nan 8.300 nan 0.000 0.546 933 V N 4.162 124.161 119.914 0.142 0.000 2.458 933 V HA 0.124 4.354 4.120 0.183 0.000 0.287 933 V C -2.251 173.823 176.094 -0.034 0.000 1.009 933 V CA -1.743 60.544 62.300 -0.021 0.000 1.091 933 V CB 0.240 32.001 31.823 -0.103 0.000 0.960 933 V HN -0.109 nan 8.190 nan 0.000 0.476 934 P HA 0.323 nan 4.420 nan 0.000 0.277 934 P C -0.098 177.186 177.300 -0.026 0.000 1.240 934 P CA -0.162 62.916 63.100 -0.035 0.000 0.798 934 P CB 0.454 32.135 31.700 -0.031 0.000 0.979 935 E N -0.107 120.091 120.200 -0.003 0.000 2.360 935 E HA -0.208 4.252 4.350 0.183 0.000 0.238 935 E C 0.571 177.206 176.600 0.058 0.000 1.186 935 E CA 0.006 56.417 56.400 0.019 0.000 0.719 935 E CB -1.565 28.160 29.700 0.042 0.000 1.236 935 E HN 0.372 nan 8.360 nan 0.000 0.386 936 L N 0.511 121.749 121.223 0.025 0.000 2.081 936 L HA -0.221 4.229 4.340 0.183 0.000 0.212 936 L C 2.227 179.140 176.870 0.071 0.000 1.080 936 L CA 2.804 57.707 54.840 0.105 0.000 0.754 936 L CB -0.293 41.796 42.059 0.050 0.000 0.893 936 L HN 0.377 nan 8.230 nan 0.000 0.433 937 K N -0.471 119.839 120.400 -0.149 0.000 1.985 937 K HA -0.256 4.174 4.320 0.183 0.000 0.210 937 K C 2.217 178.863 176.600 0.078 0.000 1.047 937 K CA 1.950 58.154 56.287 -0.139 0.000 0.932 937 K CB -0.431 31.954 32.500 -0.191 0.000 0.716 937 K HN 0.480 nan 8.250 nan 0.000 0.439 938 E N -0.469 119.775 120.200 0.072 0.000 2.110 938 E HA -0.204 4.256 4.350 0.183 0.000 0.193 938 E C 1.919 178.601 176.600 0.137 0.000 0.988 938 E CA 1.072 57.528 56.400 0.094 0.000 0.804 938 E CB -0.164 29.582 29.700 0.078 0.000 0.745 938 E HN 0.393 nan 8.360 nan 0.000 0.458 939 F N 1.673 121.648 119.950 0.042 0.000 2.051 939 F HA -0.190 4.446 4.527 0.183 0.000 0.296 939 F C 2.354 178.200 175.800 0.076 0.000 1.122 939 F CA 2.078 60.107 58.000 0.048 0.000 1.201 939 F CB -0.955 38.069 39.000 0.040 0.000 0.978 939 F HN -0.079 nan 8.300 nan 0.000 0.472 940 T N 1.003 115.549 114.554 -0.013 0.000 2.592 940 T HA -0.345 4.115 4.350 0.183 0.000 0.267 940 T C 2.137 176.811 174.700 -0.044 0.000 1.060 940 T CA 2.352 64.449 62.100 -0.005 0.000 1.167 940 T CB -1.117 67.993 68.868 0.404 0.000 0.863 940 T HN 0.439 nan 8.240 nan 0.000 0.431 941 A N 0.921 123.768 122.820 0.044 0.000 1.940 941 A HA -0.149 4.281 4.320 0.183 0.000 0.219 941 A C 2.206 179.773 177.584 -0.028 0.000 1.176 941 A CA 2.179 54.234 52.037 0.030 0.000 0.631 941 A CB -0.558 18.477 19.000 0.059 0.000 0.814 941 A HN 0.542 nan 8.150 nan 0.000 0.446 942 K N -0.364 119.997 120.400 -0.065 0.000 2.002 942 K HA -0.082 4.348 4.320 0.183 0.000 0.209 942 K C 1.906 178.436 176.600 -0.118 0.000 1.048 942 K CA 1.432 57.675 56.287 -0.072 0.000 0.930 942 K CB -0.361 32.109 32.500 -0.050 0.000 0.714 942 K HN 0.454 nan 8.250 nan 0.000 0.438 943 L N 0.595 121.675 121.223 -0.239 0.000 2.021 943 L HA -0.268 4.182 4.340 0.183 0.000 0.215 943 L C 2.822 179.625 176.870 -0.112 0.000 1.074 943 L CA 1.739 56.447 54.840 -0.220 0.000 0.760 943 L CB -0.439 41.412 42.059 -0.347 0.000 0.889 943 L HN 0.270 nan 8.230 nan 0.000 0.433 944 R N 0.350 120.799 120.500 -0.085 0.000 2.073 944 R HA -0.221 4.229 4.340 0.183 0.000 0.234 944 R C 2.395 178.678 176.300 -0.028 0.000 1.134 944 R CA 1.839 57.915 56.100 -0.039 0.000 0.952 944 R CB -0.097 30.193 30.300 -0.015 0.000 0.850 944 R HN 0.197 nan 8.270 nan 0.000 0.433 945 K N 0.465 120.849 120.400 -0.027 0.000 2.026 945 K HA -0.170 4.259 4.320 0.183 0.000 0.208 945 K C 1.817 178.407 176.600 -0.017 0.000 1.048 945 K CA 1.909 58.187 56.287 -0.016 0.000 0.929 945 K CB 0.016 32.510 32.500 -0.009 0.000 0.713 945 K HN 0.243 nan 8.250 nan 0.000 0.439 946 E N 0.654 120.840 120.200 -0.025 0.000 2.058 946 E HA -0.215 4.245 4.350 0.183 0.000 0.194 946 E C 2.104 178.694 176.600 -0.015 0.000 0.997 946 E CA 1.290 57.679 56.400 -0.019 0.000 0.801 946 E CB -0.075 29.610 29.700 -0.024 0.000 0.746 946 E HN 0.288 nan 8.360 nan 0.000 0.450 947 L N 0.532 121.743 121.223 -0.021 0.000 1.955 947 L HA -0.220 4.230 4.340 0.183 0.000 0.213 947 L C 2.568 179.434 176.870 -0.007 0.000 1.072 947 L CA 1.358 56.191 54.840 -0.012 0.000 0.755 947 L CB -0.757 41.294 42.059 -0.013 0.000 0.888 947 L HN 0.124 nan 8.230 nan 0.000 0.432 948 V N -0.395 119.514 119.914 -0.008 0.000 2.332 948 V HA -0.277 3.953 4.120 0.183 0.000 0.248 948 V C 2.576 178.668 176.094 -0.004 0.000 1.055 948 V CA 1.635 63.932 62.300 -0.005 0.000 1.038 948 V CB -0.486 31.333 31.823 -0.007 0.000 0.651 948 V HN 0.448 nan 8.190 nan 0.000 0.450 949 E N 0.010 120.207 120.200 -0.004 0.000 2.017 949 E HA -0.199 4.261 4.350 0.183 0.000 0.193 949 E C 2.369 178.968 176.600 -0.001 0.000 0.997 949 E CA 1.934 58.333 56.400 -0.002 0.000 0.804 949 E CB -0.446 29.253 29.700 -0.002 0.000 0.757 949 E HN 0.550 nan 8.360 nan 0.000 0.448 950 T N 0.707 115.260 114.554 -0.001 0.000 2.721 950 T HA -0.206 4.254 4.350 0.183 0.000 0.268 950 T C 1.952 176.653 174.700 0.001 0.000 1.038 950 T CA 1.772 63.871 62.100 -0.000 0.000 1.145 950 T CB -0.303 68.564 68.868 -0.000 0.000 0.858 950 T HN 0.171 nan 8.240 nan 0.000 0.459 951 S N 0.567 116.267 115.700 0.001 0.000 2.368 951 S HA -0.090 4.490 4.470 0.183 0.000 0.224 951 S C 1.966 176.567 174.600 0.001 0.000 1.029 951 S CA 1.347 59.549 58.200 0.002 0.000 0.988 951 S CB -0.194 63.007 63.200 0.003 0.000 0.838 951 S HN 0.603 nan 8.310 nan 0.000 0.462 952 E N 0.142 120.342 120.200 0.000 0.000 2.170 952 E HA -0.011 4.448 4.350 0.183 0.000 0.191 952 E C 2.193 178.794 176.600 0.000 0.000 0.981 952 E CA 0.936 57.336 56.400 0.000 0.000 0.830 952 E CB -0.122 29.578 29.700 -0.000 0.000 0.775 952 E HN 0.499 nan 8.360 nan 0.000 0.470 953 V N 1.069 120.984 119.914 0.001 0.000 2.358 953 V HA -0.219 4.011 4.120 0.183 0.000 0.246 953 V C 2.286 178.381 176.094 0.000 0.000 1.047 953 V CA 1.999 64.300 62.300 0.001 0.000 1.035 953 V CB -0.243 31.581 31.823 0.001 0.000 0.658 953 V HN 0.110 nan 8.190 nan 0.000 0.452 954 R N 0.478 120.978 120.500 0.000 0.000 2.120 954 R HA -0.193 4.257 4.340 0.183 0.000 0.234 954 R C 2.444 178.743 176.300 -0.001 0.000 1.123 954 R CA 2.118 58.217 56.100 -0.001 0.000 0.975 954 R CB -0.312 29.988 30.300 -0.000 0.000 0.866 954 R HN 0.735 nan 8.270 nan 0.000 0.446 955 K N -0.844 119.555 120.400 -0.000 0.000 2.262 955 K HA 0.091 4.521 4.320 0.183 0.000 0.200 955 K C 1.685 178.284 176.600 -0.000 0.000 1.049 955 K CA 0.890 57.177 56.287 -0.001 0.000 0.979 955 K CB 0.127 32.627 32.500 0.000 0.000 0.773 955 K HN 0.164 nan 8.250 nan 0.000 0.474 956 A N 0.837 123.657 122.820 0.000 0.000 1.930 956 A HA 0.025 4.455 4.320 0.183 0.000 0.215 956 A C 2.135 179.720 177.584 0.002 0.000 1.176 956 A CA 0.833 52.870 52.037 0.001 0.000 0.632 956 A CB -0.397 18.604 19.000 0.001 0.000 0.819 956 A HN 0.125 nan 8.150 nan 0.000 0.445 957 V N 0.864 120.779 119.914 0.001 0.000 2.427 957 V HA -0.222 4.008 4.120 0.183 0.000 0.248 957 V C 3.053 179.147 176.094 0.000 0.000 1.051 957 V CA 2.395 64.696 62.300 0.001 0.000 1.048 957 V CB -0.536 31.287 31.823 0.001 0.000 0.666 957 V HN 0.817 nan 8.190 nan 0.000 0.456 958 S N -0.280 115.419 115.700 -0.002 0.000 2.383 958 S HA -0.141 4.439 4.470 0.183 0.000 0.227 958 S C 2.066 176.663 174.600 -0.004 0.000 1.026 958 S CA 1.554 59.750 58.200 -0.006 0.000 0.981 958 S CB -0.527 62.667 63.200 -0.009 0.000 0.818 958 S HN 0.550 nan 8.310 nan 0.000 0.472 959 I N 0.641 121.210 120.570 -0.001 0.000 2.614 959 I HA -0.063 4.216 4.170 0.183 0.000 0.258 959 I C 2.223 178.344 176.117 0.007 0.000 1.189 959 I CA 1.242 62.543 61.300 0.002 0.000 1.462 959 I CB -0.088 37.914 38.000 0.003 0.000 1.092 959 I HN 0.348 nan 8.210 nan 0.000 0.442 960 E N -0.037 120.167 120.200 0.007 0.000 2.166 960 E HA -0.089 4.371 4.350 0.183 0.000 0.192 960 E C 2.096 178.707 176.600 0.017 0.000 0.967 960 E CA 1.524 57.930 56.400 0.011 0.000 0.840 960 E CB -0.132 29.573 29.700 0.009 0.000 0.795 960 E HN 0.536 nan 8.360 nan 0.000 0.470 961 T N -0.603 113.960 114.554 0.015 0.000 2.929 961 T HA 0.006 4.466 4.350 0.183 0.000 0.271 961 T C 1.926 176.647 174.700 0.036 0.000 1.085 961 T CA 1.115 63.229 62.100 0.023 0.000 1.125 961 T CB -0.029 68.845 68.868 0.011 0.000 0.874 961 T HN 0.080 nan 8.240 nan 0.000 0.494 962 A N 0.830 123.662 122.820 0.021 0.000 2.021 962 A HA 0.429 4.859 4.320 0.183 0.000 0.216 962 A C 2.255 179.871 177.584 0.054 0.000 1.163 962 A CA 0.398 52.448 52.037 0.021 0.000 0.676 962 A CB -0.514 18.485 19.000 -0.002 0.000 0.818 962 A HN 0.510 nan 8.150 nan 0.000 0.453 963 L N -1.077 120.171 121.223 0.042 0.000 2.270 963 L HA -0.014 4.436 4.340 0.183 0.000 0.210 963 L C 2.454 179.351 176.870 0.044 0.000 1.104 963 L CA 0.811 55.675 54.840 0.039 0.000 0.804 963 L CB -0.159 41.914 42.059 0.023 0.000 0.937 963 L HN 0.461 nan 8.230 nan 0.000 0.450 964 E N -0.566 119.664 120.200 0.049 0.000 2.150 964 E HA -0.265 4.195 4.350 0.183 0.000 0.193 964 E C 1.887 178.514 176.600 0.044 0.000 0.985 964 E CA 1.001 57.424 56.400 0.038 0.000 0.814 964 E CB 0.157 29.879 29.700 0.038 0.000 0.752 964 E HN 0.500 nan 8.360 nan 0.000 0.466 965 H N 0.503 119.564 119.070 -0.015 0.000 2.326 965 H HA 0.020 4.686 4.556 0.183 0.000 0.301 965 H C 1.898 177.215 175.328 -0.019 0.000 1.081 965 H CA 1.602 57.637 56.048 -0.021 0.000 1.334 965 H CB 0.277 30.021 29.762 -0.029 0.000 1.385 965 H HN -0.088 nan 8.280 nan 0.000 0.504 966 K N -0.532 119.921 120.400 0.089 0.000 2.280 966 K HA -0.083 4.347 4.320 0.183 0.000 0.202 966 K C 1.861 178.458 176.600 -0.006 0.000 1.047 966 K CA 0.873 57.183 56.287 0.038 0.000 0.942 966 K CB 0.192 32.720 32.500 0.047 0.000 0.739 966 K HN 0.125 nan 8.250 nan 0.000 0.457 967 V N -0.117 119.789 119.914 -0.014 0.000 2.278 967 V HA -0.181 4.049 4.120 0.183 0.000 0.238 967 V C 2.067 178.130 176.094 -0.052 0.000 1.039 967 V CA 1.187 63.473 62.300 -0.023 0.000 1.017 967 V CB -0.143 31.672 31.823 -0.013 0.000 0.657 967 V HN 0.019 nan 8.190 nan 0.000 0.462 968 V N 0.915 120.783 119.914 -0.077 0.000 2.324 968 V HA -0.226 4.004 4.120 0.183 0.000 0.250 968 V C 1.542 177.554 176.094 -0.137 0.000 1.060 968 V CA 2.112 64.350 62.300 -0.104 0.000 1.042 968 V CB -0.551 31.198 31.823 -0.124 0.000 0.650 968 V HN 0.594 nan 8.190 nan 0.000 0.450 969 N N -0.380 118.200 118.700 -0.200 0.000 2.282 969 N HA 0.294 5.144 4.740 0.183 0.000 0.240 969 N C 0.529 175.976 175.510 -0.105 0.000 1.182 969 N CA 0.850 53.776 53.050 -0.207 0.000 0.874 969 N CB 1.008 39.236 38.487 -0.433 0.000 1.126 969 N HN 0.512 nan 8.380 nan 0.000 0.516 970 G N 2.578 111.341 108.800 -0.062 0.000 2.825 970 G HA2 -0.289 3.781 3.960 0.183 0.000 0.686 970 G HA3 -0.289 3.781 3.960 0.183 0.000 0.686 970 G C 0.601 175.504 174.900 0.005 0.000 1.362 970 G CA -0.099 44.989 45.100 -0.021 0.000 0.975 970 G HN 0.439 nan 8.290 nan 0.000 0.594 971 N N 0.008 118.717 118.700 0.016 0.000 2.398 971 N HA 0.035 4.885 4.740 0.183 0.000 0.188 971 N C 1.638 177.172 175.510 0.040 0.000 1.122 971 N CA 1.233 54.302 53.050 0.031 0.000 0.866 971 N CB 0.294 38.797 38.487 0.026 0.000 0.970 971 N HN 0.375 nan 8.380 nan 0.000 0.462 972 S N -0.321 115.400 115.700 0.036 0.000 2.503 972 S HA 0.295 4.875 4.470 0.183 0.000 0.217 972 S C 1.752 176.391 174.600 0.065 0.000 0.999 972 S CA 0.285 58.511 58.200 0.043 0.000 0.914 972 S CB 0.111 63.329 63.200 0.030 0.000 0.782 972 S HN 0.604 nan 8.310 nan 0.000 0.520 973 A N 1.390 124.252 122.820 0.069 0.000 2.072 973 A HA 0.037 4.467 4.320 0.183 0.000 0.216 973 A C 1.343 179.022 177.584 0.158 0.000 1.156 973 A CA 0.866 52.965 52.037 0.104 0.000 0.701 973 A CB -0.109 18.929 19.000 0.062 0.000 0.816 973 A HN 0.286 nan 8.150 nan 0.000 0.458 974 D N -0.153 120.318 120.400 0.117 0.000 2.346 974 D HA 0.203 4.953 4.640 0.183 0.000 0.206 974 D C 1.888 178.276 176.300 0.147 0.000 1.001 974 D CA 0.977 55.054 54.000 0.127 0.000 0.871 974 D CB -0.065 40.791 40.800 0.093 0.000 0.943 974 D HN 0.388 nan 8.370 nan 0.000 0.518 975 A N 0.926 123.814 122.820 0.113 0.000 1.970 975 A HA 0.174 4.604 4.320 0.183 0.000 0.216 975 A C 2.039 179.673 177.584 0.083 0.000 1.170 975 A CA 1.242 53.329 52.037 0.084 0.000 0.645 975 A CB -0.220 18.814 19.000 0.056 0.000 0.816 975 A HN 0.175 nan 8.150 nan 0.000 0.447 976 A N -2.705 120.176 122.820 0.101 0.000 2.327 976 A HA 0.397 4.827 4.320 0.183 0.000 0.228 976 A C 1.117 178.696 177.584 -0.008 0.000 1.275 976 A CA 0.205 52.267 52.037 0.042 0.000 0.875 976 A CB -0.533 18.483 19.000 0.027 0.000 0.925 976 A HN 0.548 nan 8.150 nan 0.000 0.493 977 Y N -1.244 119.065 120.300 0.014 0.000 2.426 977 Y HA 0.455 5.115 4.550 0.183 0.000 0.249 977 Y C 1.448 177.352 175.900 0.008 0.000 1.103 977 Y CA 0.075 58.182 58.100 0.012 0.000 1.256 977 Y CB 0.437 38.907 38.460 0.017 0.000 1.208 977 Y HN 0.321 nan 8.280 nan 0.000 0.519 978 A N 0.764 123.657 122.820 0.122 0.000 2.351 978 A HA 0.404 4.834 4.320 0.183 0.000 0.257 978 A C -0.117 177.484 177.584 0.028 0.000 1.087 978 A CA -0.369 51.710 52.037 0.070 0.000 0.798 978 A CB 0.303 19.335 19.000 0.055 0.000 1.033 978 A HN 0.402 nan 8.150 nan 0.000 0.488 979 Q N -0.384 119.429 119.800 0.021 0.000 2.199 979 Q HA 0.544 4.994 4.340 0.183 0.000 0.232 979 Q C -0.795 175.208 176.000 0.005 0.000 0.969 979 Q CA -0.706 55.099 55.803 0.003 0.000 0.925 979 Q CB 1.431 30.171 28.738 0.004 0.000 1.198 979 Q HN 0.496 nan 8.270 nan 0.000 0.494 980 V N 0.541 120.454 119.914 -0.001 0.000 2.350 980 V HA 0.256 4.486 4.120 0.183 0.000 0.276 980 V C -0.226 175.871 176.094 0.005 0.000 1.028 980 V CA -0.767 61.534 62.300 0.003 0.000 0.860 980 V CB 0.871 32.694 31.823 -0.001 0.000 0.990 980 V HN 0.649 nan 8.190 nan 0.000 0.453 981 E N 4.096 124.302 120.200 0.009 0.000 2.373 981 E HA 0.426 4.886 4.350 0.183 0.000 0.267 981 E C -0.696 175.911 176.600 0.011 0.000 1.032 981 E CA -0.181 56.225 56.400 0.010 0.000 0.889 981 E CB 1.237 30.945 29.700 0.013 0.000 0.984 981 E HN 0.573 nan 8.360 nan 0.000 0.425 982 I N 2.949 123.525 120.570 0.010 0.000 2.404 982 I HA 0.169 4.449 4.170 0.183 0.000 0.293 982 I C -0.062 176.065 176.117 0.017 0.000 0.992 982 I CA -0.781 60.525 61.300 0.011 0.000 1.149 982 I CB 1.403 39.407 38.000 0.006 0.000 1.315 982 I HN 0.301 nan 8.210 nan 0.000 0.446 983 Q N 6.606 126.419 119.800 0.023 0.000 2.293 983 Q HA 0.449 4.899 4.340 0.183 0.000 0.261 983 Q C -2.201 173.820 176.000 0.035 0.000 0.960 983 Q CA -1.612 54.210 55.803 0.031 0.000 0.882 983 Q CB 2.254 31.015 28.738 0.039 0.000 1.275 983 Q HN 0.411 nan 8.270 nan 0.000 0.445 984 P HA 0.226 nan 4.420 nan 0.000 0.271 984 P C -0.640 176.696 177.300 0.059 0.000 1.218 984 P CA -0.071 63.054 63.100 0.041 0.000 0.780 984 P CB 1.238 32.963 31.700 0.041 0.000 0.901 985 R N 0.719 121.253 120.500 0.057 0.000 2.873 985 R HA 0.707 5.157 4.340 0.183 0.000 0.264 985 R C -0.386 175.970 176.300 0.093 0.000 1.026 985 R CA -1.068 55.081 56.100 0.081 0.000 1.002 985 R CB 1.710 32.042 30.300 0.054 0.000 1.174 985 R HN 0.527 nan 8.270 nan 0.000 0.488 986 A N 1.399 124.303 122.820 0.140 0.000 2.362 986 A HA 0.165 4.595 4.320 0.183 0.000 0.276 986 A C -0.225 177.451 177.584 0.154 0.000 1.153 986 A CA -0.312 51.823 52.037 0.163 0.000 0.813 986 A CB 0.089 19.224 19.000 0.226 0.000 1.081 986 A HN 0.710 nan 8.150 nan 0.000 0.507 987 N N 3.986 122.775 118.700 0.149 0.000 2.918 987 N HA 0.146 4.996 4.740 0.183 0.000 0.270 987 N C -0.368 175.311 175.510 0.281 0.000 1.536 987 N CA -0.409 52.742 53.050 0.168 0.000 0.877 987 N CB 0.138 38.674 38.487 0.081 0.000 1.190 987 N HN 0.563 nan 8.380 nan 0.000 0.492 988 I N 1.498 122.313 120.570 0.408 0.000 2.906 988 I HA -0.118 4.162 4.170 0.183 0.000 0.302 988 I C 0.723 177.071 176.117 0.385 0.000 1.220 988 I CA 1.020 62.532 61.300 0.354 0.000 1.441 988 I CB -0.004 38.187 38.000 0.318 0.000 1.336 988 I HN 0.297 nan 8.210 nan 0.000 0.565 989 Q N 5.363 125.266 119.800 0.172 0.000 2.377 989 Q HA 0.388 4.838 4.340 0.183 0.000 0.271 989 Q C 0.773 176.755 176.000 -0.030 0.000 1.077 989 Q CA -0.853 55.017 55.803 0.112 0.000 0.820 989 Q CB 2.895 31.671 28.738 0.064 0.000 1.347 989 Q HN 0.559 nan 8.270 nan 0.000 0.444 990 L N 0.431 121.608 121.223 -0.077 0.000 2.275 990 L HA -0.121 4.329 4.340 0.183 0.000 0.215 990 L C 0.063 177.003 176.870 0.117 0.000 1.119 990 L CA 0.790 55.575 54.840 -0.092 0.000 0.790 990 L CB -0.140 41.842 42.059 -0.129 0.000 0.919 990 L HN 0.823 nan 8.230 nan 0.000 0.443 991 D N -0.892 119.581 120.400 0.120 0.000 2.760 991 D HA -0.207 4.543 4.640 0.183 0.000 0.244 991 D C -0.065 176.473 176.300 0.397 0.000 1.123 991 D CA 0.249 54.372 54.000 0.205 0.000 0.719 991 D CB -0.745 40.162 40.800 0.178 0.000 1.045 991 D HN -0.107 nan 8.370 nan 0.000 0.426 992 F N -0.122 119.878 119.950 0.083 0.000 2.472 992 F HA 0.402 5.039 4.527 0.183 0.000 0.312 992 F C -0.941 174.855 175.800 -0.007 0.000 1.256 992 F CA -1.698 56.323 58.000 0.034 0.000 1.275 992 F CB -0.613 38.364 39.000 -0.037 0.000 1.228 992 F HN 0.003 nan 8.300 nan 0.000 0.567 993 P HA 0.186 nan 4.420 nan 0.000 0.282 993 P C -0.950 176.392 177.300 0.070 0.000 1.259 993 P CA -0.550 62.555 63.100 0.008 0.000 0.826 993 P CB 0.687 32.294 31.700 -0.155 0.000 1.064 994 E N 1.155 121.414 120.200 0.099 0.000 2.259 994 E HA 0.239 4.699 4.350 0.183 0.000 0.281 994 E C -0.465 176.203 176.600 0.113 0.000 1.037 994 E CA -0.196 56.262 56.400 0.097 0.000 0.854 994 E CB 0.435 30.195 29.700 0.101 0.000 1.051 994 E HN 0.379 nan 8.360 nan 0.000 0.409 995 L N 4.087 125.355 121.223 0.075 0.000 2.265 995 L HA 0.297 4.747 4.340 0.183 0.000 0.289 995 L C 0.817 177.756 176.870 0.116 0.000 1.033 995 L CA -0.461 54.427 54.840 0.081 0.000 0.814 995 L CB 0.802 42.840 42.059 -0.034 0.000 1.203 995 L HN 0.127 nan 8.230 nan 0.000 0.423 996 K N 3.475 123.960 120.400 0.141 0.000 2.138 996 K HA 0.354 4.784 4.320 0.183 0.000 0.251 996 K C -2.285 174.397 176.600 0.136 0.000 1.015 996 K CA -1.746 54.600 56.287 0.099 0.000 0.917 996 K CB 0.273 32.799 32.500 0.044 0.000 1.021 996 K HN 0.223 nan 8.250 nan 0.000 0.485 997 P HA -0.121 nan 4.420 nan 0.000 0.265 997 P C -0.099 177.242 177.300 0.069 0.000 1.187 997 P CA 0.378 63.549 63.100 0.119 0.000 0.766 997 P CB 0.201 31.943 31.700 0.070 0.000 0.820 998 Y N 5.037 125.318 120.300 -0.031 0.000 2.315 998 Y HA -0.305 4.355 4.550 0.183 0.000 0.288 998 Y C 2.102 177.912 175.900 -0.151 0.000 1.154 998 Y CA 1.911 59.868 58.100 -0.238 0.000 1.229 998 Y CB -0.240 38.126 38.460 -0.156 0.000 0.980 998 Y HN 0.347 nan 8.280 nan 0.000 0.540 999 K N -0.185 120.226 120.400 0.018 0.000 2.032 999 K HA -0.273 4.157 4.320 0.183 0.000 0.209 999 K C 1.769 178.288 176.600 -0.134 0.000 1.048 999 K CA 2.172 58.436 56.287 -0.038 0.000 0.927 999 K CB -0.674 31.838 32.500 0.020 0.000 0.712 999 K HN 0.457 nan 8.250 nan 0.000 0.441 1000 Q N 0.959 120.690 119.800 -0.116 0.000 2.123 1000 Q HA -0.042 4.408 4.340 0.183 0.000 0.199 1000 Q C 2.353 178.235 176.000 -0.196 0.000 0.966 1000 Q CA 1.216 56.947 55.803 -0.122 0.000 0.845 1000 Q CB -0.143 28.553 28.738 -0.070 0.000 0.907 1000 Q HN 0.151 nan 8.270 nan 0.000 0.439 1001 V N 1.722 121.464 119.914 -0.287 0.000 2.287 1001 V HA -0.257 3.973 4.120 0.183 0.000 0.248 1001 V C 2.148 178.006 176.094 -0.393 0.000 1.053 1001 V CA 1.760 63.843 62.300 -0.362 0.000 1.027 1001 V CB -0.437 31.047 31.823 -0.565 0.000 0.646 1001 V HN 0.283 nan 8.190 nan 0.000 0.447 1002 K N -0.610 119.474 120.400 -0.526 0.000 2.504 1002 K HA -0.097 4.333 4.320 0.183 0.000 0.195 1002 K C 2.097 178.573 176.600 -0.207 0.000 1.036 1002 K CA 0.513 56.558 56.287 -0.403 0.000 0.984 1002 K CB 0.056 32.275 32.500 -0.468 0.000 0.788 1002 K HN 0.474 nan 8.250 nan 0.000 0.488 1003 Q N 0.003 119.693 119.800 -0.184 0.000 2.331 1003 Q HA -0.009 4.441 4.340 0.183 0.000 0.203 1003 Q C 1.936 177.878 176.000 -0.097 0.000 0.944 1003 Q CA 0.612 56.346 55.803 -0.116 0.000 0.892 1003 Q CB 0.199 28.875 28.738 -0.104 0.000 0.983 1003 Q HN 0.386 nan 8.270 nan 0.000 0.482 1004 I N 0.586 121.072 120.570 -0.140 0.000 2.110 1004 I HA -0.148 4.132 4.170 0.183 0.000 0.236 1004 I C 1.203 177.320 176.117 -0.000 0.000 1.068 1004 I CA 0.689 61.896 61.300 -0.155 0.000 1.333 1004 I CB -0.203 37.578 38.000 -0.366 0.000 1.054 1004 I HN -0.044 nan 8.210 nan 0.000 0.402 1005 A N 0.594 123.430 122.820 0.027 0.000 2.282 1005 A HA 0.555 4.985 4.320 0.183 0.000 0.319 1005 A C -2.370 175.259 177.584 0.076 0.000 1.121 1005 A CA -1.421 50.720 52.037 0.174 0.000 0.836 1005 A CB -0.167 18.982 19.000 0.249 0.000 1.146 1005 A HN -0.021 nan 8.150 nan 0.000 0.494 1006 P HA 0.214 nan 4.420 nan 0.000 0.268 1006 P C 0.617 177.930 177.300 0.021 0.000 1.205 1006 P CA 0.487 63.609 63.100 0.037 0.000 0.771 1006 P CB 0.806 32.526 31.700 0.033 0.000 0.858 1007 A N 2.763 125.585 122.820 0.005 0.000 2.067 1007 A HA -0.174 4.256 4.320 0.183 0.000 0.219 1007 A C 1.762 179.351 177.584 0.008 0.000 1.158 1007 A CA 1.385 53.423 52.037 0.003 0.000 0.661 1007 A CB -0.884 18.115 19.000 -0.002 0.000 0.801 1007 A HN 0.523 nan 8.150 nan 0.000 0.452 1008 E N -0.560 119.640 120.200 0.000 0.000 2.204 1008 E HA -0.142 4.318 4.350 0.183 0.000 0.195 1008 E C 1.712 178.310 176.600 -0.003 0.000 0.990 1008 E CA 0.804 57.197 56.400 -0.012 0.000 0.821 1008 E CB -0.346 29.338 29.700 -0.027 0.000 0.750 1008 E HN 0.568 nan 8.360 nan 0.000 0.477 1009 L N 1.290 122.523 121.223 0.016 0.000 2.191 1009 L HA -0.084 4.366 4.340 0.183 0.000 0.212 1009 L C 0.763 177.661 176.870 0.046 0.000 1.103 1009 L CA 1.097 55.957 54.840 0.033 0.000 0.769 1009 L CB -0.227 41.876 42.059 0.072 0.000 0.908 1009 L HN 0.010 nan 8.230 nan 0.000 0.438 1010 E N -0.082 120.147 120.200 0.049 0.000 2.614 1010 E HA 0.174 4.634 4.350 0.183 0.000 0.245 1010 E C 1.145 177.775 176.600 0.051 0.000 1.039 1010 E CA 0.672 57.111 56.400 0.065 0.000 0.948 1010 E CB -0.418 29.325 29.700 0.072 0.000 0.937 1010 E HN 0.518 nan 8.360 nan 0.000 0.498 1011 G N 3.833 112.669 108.800 0.059 0.000 2.168 1011 G HA2 -0.306 3.764 3.960 0.183 0.000 0.263 1011 G HA3 -0.306 3.764 3.960 0.183 0.000 0.263 1011 G C 0.524 175.446 174.900 0.036 0.000 0.977 1011 G CA 0.381 45.508 45.100 0.046 0.000 0.659 1011 G HN 0.575 nan 8.290 nan 0.000 0.533 1012 L N -0.111 121.132 121.223 0.033 0.000 2.131 1012 L HA 0.448 4.898 4.340 0.183 0.000 0.206 1012 L C 1.494 178.389 176.870 0.041 0.000 1.087 1012 L CA 1.172 56.029 54.840 0.028 0.000 0.767 1012 L CB -0.053 42.011 42.059 0.009 0.000 0.917 1012 L HN 0.347 nan 8.230 nan 0.000 0.441 1013 L N 0.941 122.187 121.223 0.039 0.000 2.305 1013 L HA 0.190 4.640 4.340 0.183 0.000 0.281 1013 L C -0.316 176.580 176.870 0.043 0.000 1.085 1013 L CA -0.594 54.268 54.840 0.037 0.000 0.813 1013 L CB 0.660 42.742 42.059 0.037 0.000 1.157 1013 L HN 0.015 nan 8.230 nan 0.000 0.436 1014 D N 3.788 124.210 120.400 0.035 0.000 2.346 1014 D HA 0.044 4.794 4.640 0.183 0.000 0.267 1014 D C 0.908 177.231 176.300 0.038 0.000 1.320 1014 D CA 0.165 54.183 54.000 0.031 0.000 0.951 1014 D CB 0.762 41.572 40.800 0.017 0.000 1.079 1014 D HN 0.402 nan 8.370 nan 0.000 0.509 1015 L N 2.753 124.003 121.223 0.044 0.000 2.622 1015 L HA 0.008 4.458 4.340 0.183 0.000 0.233 1015 L C 1.855 178.750 176.870 0.042 0.000 1.156 1015 L CA 0.398 55.267 54.840 0.049 0.000 0.866 1015 L CB -0.146 41.942 42.059 0.048 0.000 0.980 1015 L HN 0.434 nan 8.230 nan 0.000 0.448 1016 E N 0.514 120.735 120.200 0.036 0.000 2.502 1016 E HA -0.007 4.453 4.350 0.183 0.000 0.194 1016 E C 0.965 177.583 176.600 0.030 0.000 1.062 1016 E CA 0.157 56.577 56.400 0.034 0.000 0.867 1016 E CB 0.384 30.102 29.700 0.031 0.000 0.888 1016 E HN 0.391 nan 8.360 nan 0.000 0.510 1017 R N -0.138 120.380 120.500 0.030 0.000 2.615 1017 R HA 0.214 4.664 4.340 0.183 0.000 0.448 1017 R C -0.969 175.357 176.300 0.043 0.000 1.009 1017 R CA -0.110 56.005 56.100 0.025 0.000 1.111 1017 R CB 1.675 31.979 30.300 0.007 0.000 1.461 1017 R HN -0.127 nan 8.270 nan 0.000 0.587 1018 V N 3.175 123.124 119.914 0.059 0.000 2.334 1018 V HA 0.309 4.538 4.120 0.183 0.000 0.281 1018 V C 0.112 176.242 176.094 0.061 0.000 1.016 1018 V CA -0.728 61.627 62.300 0.091 0.000 0.832 1018 V CB 1.654 33.552 31.823 0.125 0.000 0.999 1018 V HN 0.164 nan 8.190 nan 0.000 0.439 1019 I N 5.864 126.467 120.570 0.056 0.000 2.396 1019 I HA 0.362 4.642 4.170 0.183 0.000 0.289 1019 I C 0.105 176.233 176.117 0.018 0.000 1.056 1019 I CA 0.076 61.396 61.300 0.033 0.000 1.365 1019 I CB 1.218 39.234 38.000 0.027 0.000 1.407 1019 I HN 0.237 nan 8.210 nan 0.000 0.509 1020 V N 7.270 127.189 119.914 0.009 0.000 2.735 1020 V HA 0.409 4.639 4.120 0.183 0.000 0.310 1020 V C -0.110 175.991 176.094 0.012 0.000 1.061 1020 V CA -0.782 61.515 62.300 -0.006 0.000 0.913 1020 V CB 3.015 34.825 31.823 -0.022 0.000 1.005 1020 V HN 0.415 nan 8.190 nan 0.000 0.428 1021 V N 4.142 124.070 119.914 0.024 0.000 2.432 1021 V HA 0.286 4.516 4.120 0.183 0.000 0.275 1021 V C 0.921 177.111 176.094 0.160 0.000 1.043 1021 V CA 0.262 62.600 62.300 0.064 0.000 0.925 1021 V CB 1.239 33.085 31.823 0.039 0.000 0.985 1021 V HN 1.056 nan 8.190 nan 0.000 0.466 1022 T N 3.042 117.680 114.554 0.141 0.000 3.018 1022 T HA 0.376 4.836 4.350 0.183 0.000 0.246 1022 T C 0.562 175.394 174.700 0.221 0.000 1.026 1022 T CA 0.783 62.971 62.100 0.146 0.000 1.081 1022 T CB 0.612 69.503 68.868 0.039 0.000 0.970 1022 T HN 0.863 nan 8.240 nan 0.000 0.475 1023 G N 0.815 109.683 108.800 0.114 0.000 2.660 1023 G HA2 0.602 4.672 3.960 0.183 0.000 0.290 1023 G HA3 0.602 4.672 3.960 0.183 0.000 0.290 1023 G C -2.005 172.904 174.900 0.014 0.000 1.432 1023 G CA -0.876 44.208 45.100 -0.028 0.000 0.807 1023 G HN 0.269 nan 8.290 nan 0.000 0.485 1024 F N -2.094 117.708 119.950 -0.248 0.000 2.744 1024 F HA 0.901 5.537 4.527 0.183 0.000 0.311 1024 F C -0.500 175.249 175.800 -0.085 0.000 1.144 1024 F CA -0.872 57.032 58.000 -0.159 0.000 0.938 1024 F CB 1.190 40.073 39.000 -0.196 0.000 1.292 1024 F HN 1.410 nan 8.300 nan 0.000 0.444 1025 A N 1.149 124.051 122.820 0.138 0.000 2.586 1025 A HA 0.818 5.248 4.320 0.183 0.000 0.290 1025 A C -1.776 175.939 177.584 0.218 0.000 1.086 1025 A CA -0.409 51.687 52.037 0.098 0.000 0.665 1025 A CB 2.002 21.040 19.000 0.063 0.000 1.279 1025 A HN 1.195 nan 8.150 nan 0.000 0.423 1026 E N -0.466 119.842 120.200 0.181 0.000 2.412 1026 E HA 0.648 5.108 4.350 0.183 0.000 0.279 1026 E C -1.724 174.962 176.600 0.145 0.000 0.984 1026 E CA -1.004 55.517 56.400 0.202 0.000 0.788 1026 E CB 2.033 31.780 29.700 0.078 0.000 1.277 1026 E HN 0.467 nan 8.360 nan 0.000 0.455 1027 V N 1.056 121.068 119.914 0.163 0.000 2.378 1027 V HA 0.808 5.038 4.120 0.183 0.000 0.288 1027 V C 0.136 176.190 176.094 -0.066 0.000 1.016 1027 V CA 0.224 62.542 62.300 0.031 0.000 0.840 1027 V CB 0.943 32.746 31.823 -0.033 0.000 0.994 1027 V HN 0.881 nan 8.190 nan 0.000 0.431 1028 G N 4.673 113.370 108.800 -0.172 0.000 2.606 1028 G HA2 0.542 4.612 3.960 0.183 0.000 0.300 1028 G HA3 0.542 4.612 3.960 0.183 0.000 0.300 1028 G C -2.770 172.012 174.900 -0.196 0.000 1.360 1028 G CA -0.800 44.171 45.100 -0.215 0.000 0.783 1028 G HN 0.368 nan 8.290 nan 0.000 0.484 1029 P HA -0.048 nan 4.420 nan 0.000 0.218 1029 P C 0.402 177.488 177.300 -0.356 0.000 1.146 1029 P CA 1.278 64.240 63.100 -0.230 0.000 0.813 1029 P CB 0.168 31.763 31.700 -0.174 0.000 0.778 1030 W N -1.089 120.168 121.300 -0.071 0.000 2.862 1030 W HA 0.433 5.204 4.660 0.184 0.000 0.426 1030 W C 1.199 177.774 176.519 0.092 0.000 0.950 1030 W CA 0.452 57.816 57.345 0.032 0.000 2.150 1030 W CB 0.494 29.950 29.460 -0.008 0.000 1.161 1030 W HN 0.044 nan 8.180 nan 0.000 0.696 1031 G N 0.756 109.688 108.800 0.221 0.000 2.826 1031 G HA2 -0.214 3.856 3.960 0.183 0.000 0.233 1031 G HA3 -0.214 3.856 3.960 0.183 0.000 0.233 1031 G C 0.135 175.177 174.900 0.236 0.000 1.296 1031 G CA -0.085 45.178 45.100 0.272 0.000 1.001 1031 G HN 0.393 nan 8.290 nan 0.000 0.576 1032 S N -0.109 115.751 115.700 0.267 0.000 2.759 1032 S HA 0.812 5.392 4.470 0.183 0.000 0.310 1032 S C 1.580 176.286 174.600 0.177 0.000 1.123 1032 S CA 0.642 58.974 58.200 0.221 0.000 0.959 1032 S CB 1.498 64.871 63.200 0.287 0.000 1.172 1032 S HN 2.312 nan 8.310 nan 0.000 0.539 1033 A N 0.740 123.648 122.820 0.148 0.000 2.032 1033 A HA -0.126 4.303 4.320 0.183 0.000 0.221 1033 A C 2.270 179.997 177.584 0.238 0.000 1.165 1033 A CA 1.581 53.725 52.037 0.180 0.000 0.645 1033 A CB -0.795 18.318 19.000 0.189 0.000 0.807 1033 A HN 0.833 nan 8.150 nan 0.000 0.453 1034 R N -1.003 119.626 120.500 0.214 0.000 2.055 1034 R HA -0.072 4.378 4.340 0.183 0.000 0.228 1034 R C 2.610 179.111 176.300 0.334 0.000 1.143 1034 R CA 1.902 58.155 56.100 0.256 0.000 0.945 1034 R CB -0.701 29.708 30.300 0.182 0.000 0.841 1034 R HN 0.729 nan 8.270 nan 0.000 0.429 1035 T N -0.527 114.230 114.554 0.338 0.000 2.821 1035 T HA -0.079 4.381 4.350 0.183 0.000 0.267 1035 T C 1.988 176.932 174.700 0.407 0.000 1.046 1035 T CA 0.618 62.991 62.100 0.455 0.000 1.139 1035 T CB -0.110 69.042 68.868 0.472 0.000 0.871 1035 T HN 0.038 nan 8.240 nan 0.000 0.454 1036 R N 0.211 120.891 120.500 0.301 0.000 2.062 1036 R HA -0.077 4.373 4.340 0.183 0.000 0.231 1036 R C 2.277 178.617 176.300 0.065 0.000 1.136 1036 R CA 1.575 57.766 56.100 0.153 0.000 0.948 1036 R CB -1.001 29.360 30.300 0.102 0.000 0.845 1036 R HN 0.739 nan 8.270 nan 0.000 0.430 1037 W N 2.144 123.449 121.300 0.009 0.000 2.325 1037 W HA -0.215 4.554 4.660 0.183 0.000 0.299 1037 W C 1.350 177.845 176.519 -0.041 0.000 1.215 1037 W CA 1.442 58.777 57.345 -0.017 0.000 1.244 1037 W CB -0.067 29.430 29.460 0.062 0.000 1.140 1037 W HN 0.257 nan 8.180 nan 0.000 0.523 1038 E N 0.151 120.356 120.200 0.008 0.000 2.077 1038 E HA -0.297 4.163 4.350 0.183 0.000 0.193 1038 E C 2.053 178.492 176.600 -0.268 0.000 0.989 1038 E CA 1.893 58.297 56.400 0.007 0.000 0.800 1038 E CB -0.432 29.390 29.700 0.203 0.000 0.746 1038 E HN 0.228 nan 8.360 nan 0.000 0.452 1039 M N 0.905 120.238 119.600 -0.445 0.000 2.236 1039 M HA -0.116 4.474 4.480 0.183 0.000 0.266 1039 M C 1.969 177.903 176.300 -0.610 0.000 1.070 1039 M CA 1.522 56.389 55.300 -0.721 0.000 1.137 1039 M CB 0.041 31.979 32.600 -1.103 0.000 1.378 1039 M HN -0.017 nan 8.290 nan 0.000 0.426 1040 E N -0.479 119.392 120.200 -0.548 0.000 2.072 1040 E HA -0.156 4.303 4.350 0.183 0.000 0.191 1040 E C 1.678 177.962 176.600 -0.526 0.000 0.985 1040 E CA 1.396 57.532 56.400 -0.440 0.000 0.801 1040 E CB -0.148 29.377 29.700 -0.291 0.000 0.750 1040 E HN 0.560 nan 8.360 nan 0.000 0.452 1041 A N -0.831 121.408 122.820 -0.968 0.000 2.030 1041 A HA 0.109 4.539 4.320 0.183 0.000 0.215 1041 A C 1.373 178.271 177.584 -1.144 0.000 1.164 1041 A CA 0.460 51.702 52.037 -1.325 0.000 0.697 1041 A CB -0.113 17.432 19.000 -2.424 0.000 0.827 1041 A HN 0.372 nan 8.150 nan 0.000 0.457 1042 F N -2.525 117.172 119.950 -0.421 0.000 2.747 1042 F HA 0.381 5.018 4.527 0.183 0.000 0.305 1042 F C 1.872 177.515 175.800 -0.261 0.000 1.065 1042 F CA 0.476 58.302 58.000 -0.289 0.000 1.230 1042 F CB 0.579 39.427 39.000 -0.253 0.000 1.027 1042 F HN 0.318 nan 8.300 nan 0.000 0.607 1043 G N 1.099 109.779 108.800 -0.201 0.000 2.199 1043 G HA2 -0.250 3.820 3.960 0.183 0.000 0.254 1043 G HA3 -0.250 3.820 3.960 0.183 0.000 0.254 1043 G C 0.051 174.792 174.900 -0.265 0.000 0.982 1043 G CA 0.431 45.387 45.100 -0.240 0.000 0.632 1043 G HN 0.481 nan 8.290 nan 0.000 0.529 1044 E N -0.675 119.379 120.200 -0.242 0.000 2.429 1044 E HA 0.718 5.178 4.350 0.183 0.000 0.276 1044 E C -1.025 175.411 176.600 -0.273 0.000 0.953 1044 E CA -1.353 54.901 56.400 -0.243 0.000 0.787 1044 E CB 1.076 30.737 29.700 -0.065 0.000 1.307 1044 E HN 0.066 nan 8.360 nan 0.000 0.458 1045 F N 1.158 121.127 119.950 0.033 0.000 2.378 1045 F HA 0.302 4.939 4.527 0.183 0.000 0.325 1045 F C 1.325 177.140 175.800 0.025 0.000 1.097 1045 F CA -0.253 57.777 58.000 0.050 0.000 1.079 1045 F CB 1.560 40.611 39.000 0.084 0.000 1.240 1045 F HN 0.617 nan 8.300 nan 0.000 0.519 1046 S N 1.496 117.330 115.700 0.224 0.000 2.546 1046 S HA 0.255 4.835 4.470 0.183 0.000 0.265 1046 S C 1.152 175.837 174.600 0.141 0.000 1.190 1046 S CA -0.637 57.633 58.200 0.116 0.000 1.014 1046 S CB 0.200 63.444 63.200 0.073 0.000 1.087 1046 S HN 0.730 nan 8.310 nan 0.000 0.525 1047 L N 0.523 121.808 121.223 0.103 0.000 2.027 1047 L HA -0.069 4.381 4.340 0.183 0.000 0.206 1047 L C 2.552 179.493 176.870 0.119 0.000 1.074 1047 L CA 1.851 56.754 54.840 0.105 0.000 0.745 1047 L CB -0.813 41.303 42.059 0.095 0.000 0.898 1047 L HN 0.689 nan 8.230 nan 0.000 0.433 1048 E N -0.073 120.206 120.200 0.132 0.000 2.204 1048 E HA -0.142 4.318 4.350 0.183 0.000 0.195 1048 E C 1.879 178.568 176.600 0.150 0.000 0.990 1048 E CA 1.010 57.501 56.400 0.151 0.000 0.821 1048 E CB -0.453 29.342 29.700 0.160 0.000 0.750 1048 E HN 0.598 nan 8.360 nan 0.000 0.477 1049 G N 0.156 109.066 108.800 0.184 0.000 2.464 1049 G HA2 -0.284 3.786 3.960 0.183 0.000 0.214 1049 G HA3 -0.284 3.786 3.960 0.183 0.000 0.214 1049 G C 1.749 176.613 174.900 -0.061 0.000 1.218 1049 G CA 0.973 46.208 45.100 0.226 0.000 0.794 1049 G HN 0.378 nan 8.290 nan 0.000 0.542 1050 C N -0.063 119.210 119.300 -0.045 0.000 2.413 1050 C HA -0.026 4.544 4.460 0.183 0.000 0.276 1050 C C 3.145 178.062 174.990 -0.122 0.000 1.236 1050 C CA 0.835 59.769 59.018 -0.140 0.000 1.735 1050 C CB -1.014 26.715 27.740 -0.018 0.000 2.031 1050 C HN 0.279 nan 8.230 nan 0.000 0.474 1051 V N 0.801 120.685 119.914 -0.051 0.000 2.287 1051 V HA -0.274 3.956 4.120 0.183 0.000 0.248 1051 V C 2.434 178.455 176.094 -0.122 0.000 1.053 1051 V CA 2.410 64.642 62.300 -0.113 0.000 1.027 1051 V CB -0.824 31.018 31.823 0.032 0.000 0.646 1051 V HN 0.640 nan 8.190 nan 0.000 0.447 1052 E N -0.547 119.649 120.200 -0.007 0.000 2.051 1052 E HA -0.225 4.235 4.350 0.183 0.000 0.192 1052 E C 2.344 179.006 176.600 0.104 0.000 0.991 1052 E CA 1.349 57.795 56.400 0.076 0.000 0.799 1052 E CB -0.068 29.717 29.700 0.142 0.000 0.748 1052 E HN 0.360 nan 8.360 nan 0.000 0.449 1053 M N 0.497 120.076 119.600 -0.035 0.000 2.086 1053 M HA -0.123 4.467 4.480 0.183 0.000 0.261 1053 M C 2.476 178.769 176.300 -0.011 0.000 1.067 1053 M CA 1.569 56.832 55.300 -0.062 0.000 1.116 1053 M CB -1.234 31.167 32.600 -0.331 0.000 1.348 1053 M HN 0.237 nan 8.290 nan 0.000 0.407 1054 A N -1.181 121.585 122.820 -0.090 0.000 1.978 1054 A HA -0.232 4.198 4.320 0.183 0.000 0.220 1054 A C 2.054 179.564 177.584 -0.124 0.000 1.170 1054 A CA 1.621 53.593 52.037 -0.109 0.000 0.636 1054 A CB -1.187 17.594 19.000 -0.364 0.000 0.810 1054 A HN 0.700 nan 8.150 nan 0.000 0.448 1055 W N 1.043 122.129 121.300 -0.357 0.000 2.408 1055 W HA -0.124 4.647 4.660 0.184 0.000 0.311 1055 W C 1.871 178.221 176.519 -0.282 0.000 1.190 1055 W CA 1.857 58.975 57.345 -0.380 0.000 1.321 1055 W CB -0.351 28.870 29.460 -0.399 0.000 1.143 1055 W HN 0.424 nan 8.180 nan 0.000 0.501 1056 I N 0.333 120.844 120.570 -0.098 0.000 2.226 1056 I HA -0.234 4.046 4.170 0.183 0.000 0.245 1056 I C 2.083 177.999 176.117 -0.335 0.000 1.100 1056 I CA 2.205 63.292 61.300 -0.355 0.000 1.374 1056 I CB -0.794 37.273 38.000 0.113 0.000 1.057 1056 I HN 0.054 nan 8.210 nan 0.000 0.413 1057 M N 0.501 120.006 119.600 -0.158 0.000 2.619 1057 M HA 0.180 4.770 4.480 0.183 0.000 0.251 1057 M C 1.579 177.627 176.300 -0.421 0.000 1.106 1057 M CA 1.077 56.271 55.300 -0.177 0.000 1.086 1057 M CB -0.170 32.441 32.600 0.018 0.000 1.465 1057 M HN 0.691 nan 8.290 nan 0.000 0.506 1058 G N -0.638 107.902 108.800 -0.434 0.000 2.175 1058 G HA2 -0.270 3.800 3.960 0.183 0.000 0.244 1058 G HA3 -0.270 3.800 3.960 0.183 0.000 0.244 1058 G C 0.477 175.120 174.900 -0.429 0.000 0.982 1058 G CA -0.028 44.794 45.100 -0.465 0.000 0.641 1058 G HN 0.399 nan 8.290 nan 0.000 0.527 1059 F N 1.043 120.775 119.950 -0.363 0.000 2.102 1059 F HA 0.239 4.876 4.527 0.184 0.000 0.298 1059 F C 1.991 177.506 175.800 -0.475 0.000 1.105 1059 F CA 1.744 59.465 58.000 -0.465 0.000 1.239 1059 F CB -0.042 38.469 39.000 -0.814 0.000 0.991 1059 F HN 0.479 nan 8.300 nan 0.000 0.474 1060 I N -3.012 117.381 120.570 -0.295 0.000 2.603 1060 I HA 0.621 4.901 4.170 0.183 0.000 0.300 1060 I C -0.442 175.649 176.117 -0.044 0.000 1.017 1060 I CA -0.702 60.487 61.300 -0.186 0.000 1.098 1060 I CB 2.051 39.847 38.000 -0.340 0.000 1.279 1060 I HN -0.272 nan 8.210 nan 0.000 0.437 1061 S N 3.404 119.217 115.700 0.189 0.000 2.538 1061 S HA 0.444 5.024 4.470 0.183 0.000 0.288 1061 S C -1.051 173.904 174.600 0.592 0.000 1.108 1061 S CA -0.432 57.961 58.200 0.321 0.000 0.971 1061 S CB 1.160 64.445 63.200 0.143 0.000 1.041 1061 S HN 0.567 nan 8.310 nan 0.000 0.483 1062 Y N 4.730 125.370 120.300 0.566 0.000 2.497 1062 Y HA 0.316 4.976 4.550 0.183 0.000 0.334 1062 Y C 0.163 176.210 175.900 0.244 0.000 1.199 1062 Y CA 0.528 58.805 58.100 0.295 0.000 1.425 1062 Y CB 0.403 38.851 38.460 -0.020 0.000 1.291 1062 Y HN 0.723 nan 8.280 nan 0.000 0.562 1063 H N 6.599 125.171 119.070 -0.831 0.000 2.865 1063 H HA 0.294 4.960 4.556 0.183 0.000 0.362 1063 H C -1.748 173.101 175.328 -0.797 0.000 1.114 1063 H CA -0.842 54.871 56.048 -0.558 0.000 1.208 1063 H CB 1.635 31.342 29.762 -0.093 0.000 1.727 1063 H HN 0.908 nan 8.280 nan 0.000 0.534 1064 N N 3.741 121.775 118.700 -1.110 0.000 2.571 1064 N HA 0.417 5.267 4.740 0.183 0.000 0.286 1064 N C -1.081 174.054 175.510 -0.624 0.000 1.138 1064 N CA 0.034 52.644 53.050 -0.734 0.000 0.859 1064 N CB 1.581 39.898 38.487 -0.283 0.000 1.414 1064 N HN 0.933 nan 8.380 nan 0.000 0.529 1065 G N 2.183 110.659 108.800 -0.541 0.000 2.399 1065 G HA2 0.059 4.129 3.960 0.183 0.000 0.256 1065 G HA3 0.059 4.129 3.960 0.183 0.000 0.256 1065 G C -1.772 173.132 174.900 0.005 0.000 1.236 1065 G CA -0.914 44.058 45.100 -0.212 0.000 0.914 1065 G HN 0.528 nan 8.290 nan 0.000 0.482 1066 N N 0.306 119.075 118.700 0.114 0.000 2.426 1066 N HA 0.568 5.418 4.740 0.183 0.000 0.275 1066 N C -0.524 175.108 175.510 0.203 0.000 1.019 1066 N CA -0.393 52.739 53.050 0.137 0.000 0.941 1066 N CB 1.783 40.314 38.487 0.073 0.000 1.123 1066 N HN 0.246 nan 8.380 nan 0.000 0.486 1067 L N 3.606 124.932 121.223 0.171 0.000 2.297 1067 L HA 0.294 4.744 4.340 0.183 0.000 0.277 1067 L C -0.211 176.665 176.870 0.009 0.000 1.040 1067 L CA -0.589 54.289 54.840 0.064 0.000 0.867 1067 L CB 0.464 42.523 42.059 0.001 0.000 1.244 1067 L HN 0.591 nan 8.230 nan 0.000 0.433 1068 K N 3.366 123.764 120.400 -0.003 0.000 4.007 1068 K HA -0.249 4.181 4.320 0.183 0.000 0.279 1068 K C 0.837 177.440 176.600 0.005 0.000 0.919 1068 K CA 0.807 57.089 56.287 -0.009 0.000 0.800 1068 K CB -1.070 31.414 32.500 -0.028 0.000 1.572 1068 K HN 1.136 nan 8.250 nan 0.000 0.443 1069 G N 0.515 109.325 108.800 0.016 0.000 5.005 1069 G HA2 -0.348 3.722 3.960 0.183 0.000 0.251 1069 G HA3 -0.348 3.722 3.960 0.183 0.000 0.251 1069 G C -0.054 174.864 174.900 0.030 0.000 1.536 1069 G CA 0.152 45.264 45.100 0.018 0.000 1.060 1069 G HN 0.446 nan 8.290 nan 0.000 0.683 1070 R N 2.072 122.592 120.500 0.034 0.000 2.641 1070 R HA 0.455 4.905 4.340 0.183 0.000 0.269 1070 R C -2.682 173.663 176.300 0.076 0.000 1.074 1070 R CA -1.099 55.029 56.100 0.047 0.000 1.133 1070 R CB 0.225 30.553 30.300 0.047 0.000 1.029 1070 R HN 0.292 nan 8.270 nan 0.000 0.488 1071 P HA 0.138 nan 4.420 nan 0.000 0.282 1071 P C -1.419 175.970 177.300 0.148 0.000 1.249 1071 P CA -0.229 62.920 63.100 0.082 0.000 0.806 1071 P CB 0.484 32.202 31.700 0.030 0.000 0.984 1072 Y N 0.808 121.100 120.300 -0.014 0.000 2.545 1072 Y HA 0.628 5.288 4.550 0.183 0.000 0.348 1072 Y C -0.963 174.864 175.900 -0.121 0.000 1.002 1072 Y CA -0.471 57.617 58.100 -0.021 0.000 1.039 1072 Y CB 2.008 40.508 38.460 0.068 0.000 1.271 1072 Y HN 0.225 nan 8.280 nan 0.000 0.467 1073 T N 3.875 117.887 114.554 -0.903 0.000 3.187 1073 T HA 0.662 5.122 4.350 0.183 0.000 0.328 1073 T C -0.582 173.551 174.700 -0.945 0.000 0.951 1073 T CA -0.058 61.601 62.100 -0.736 0.000 1.049 1073 T CB 0.527 69.183 68.868 -0.355 0.000 1.015 1073 T HN 1.182 nan 8.240 nan 0.000 0.461 1074 G N 2.149 110.393 108.800 -0.926 0.000 2.351 1074 G HA2 0.304 4.374 3.960 0.183 0.000 0.279 1074 G HA3 0.304 4.374 3.960 0.183 0.000 0.279 1074 G C -1.819 172.996 174.900 -0.142 0.000 1.297 1074 G CA -1.036 43.723 45.100 -0.568 0.000 0.886 1074 G HN 0.512 nan 8.290 nan 0.000 0.493 1075 W N -0.466 120.994 121.300 0.268 0.000 2.202 1075 W HA 0.554 5.324 4.660 0.183 0.000 0.332 1075 W C 0.191 176.894 176.519 0.307 0.000 1.263 1075 W CA -0.517 56.995 57.345 0.277 0.000 1.223 1075 W CB 1.503 31.095 29.460 0.219 0.000 1.128 1075 W HN 0.257 nan 8.180 nan 0.000 0.573 1076 V N 2.629 122.844 119.914 0.502 0.000 2.760 1076 V HA 0.036 4.266 4.120 0.183 0.000 0.309 1076 V C -0.463 175.746 176.094 0.192 0.000 1.077 1076 V CA -0.947 61.504 62.300 0.251 0.000 0.910 1076 V CB 1.838 33.748 31.823 0.145 0.000 1.008 1076 V HN 0.402 nan 8.190 nan 0.000 0.424 1077 D N 2.859 123.352 120.400 0.154 0.000 2.412 1077 D HA 0.019 4.769 4.640 0.183 0.000 0.257 1077 D C 1.354 177.699 176.300 0.075 0.000 1.217 1077 D CA 0.676 54.769 54.000 0.155 0.000 0.897 1077 D CB 1.514 42.429 40.800 0.192 0.000 1.132 1077 D HN 0.642 nan 8.370 nan 0.000 0.493 1078 S N 3.683 119.407 115.700 0.041 0.000 2.423 1078 S HA -0.147 4.433 4.470 0.183 0.000 0.231 1078 S C 1.686 176.279 174.600 -0.013 0.000 1.014 1078 S CA 0.614 58.813 58.200 -0.002 0.000 0.965 1078 S CB 0.152 63.324 63.200 -0.047 0.000 0.785 1078 S HN 0.418 nan 8.310 nan 0.000 0.495 1079 K N 1.218 121.622 120.400 0.006 0.000 2.007 1079 K HA -0.026 4.404 4.320 0.183 0.000 0.206 1079 K C 2.638 179.238 176.600 -0.001 0.000 1.047 1079 K CA 1.714 58.001 56.287 -0.000 0.000 0.937 1079 K CB -0.415 32.096 32.500 0.018 0.000 0.718 1079 K HN 0.598 nan 8.250 nan 0.000 0.438 1080 T N -2.257 112.305 114.554 0.014 0.000 3.057 1080 T HA 0.084 4.544 4.350 0.183 0.000 0.254 1080 T C 0.611 175.294 174.700 -0.029 0.000 1.094 1080 T CA 0.349 62.447 62.100 -0.003 0.000 1.088 1080 T CB 0.112 68.984 68.868 0.008 0.000 0.934 1080 T HN 0.030 nan 8.240 nan 0.000 0.497 1081 K N 0.950 121.331 120.400 -0.032 0.000 3.274 1081 K HA -0.128 4.302 4.320 0.183 0.000 0.300 1081 K C -0.273 176.261 176.600 -0.109 0.000 1.230 1081 K CA 0.843 57.083 56.287 -0.079 0.000 0.884 1081 K CB -1.853 30.583 32.500 -0.107 0.000 1.242 1081 K HN 0.742 nan 8.250 nan 0.000 0.467 1082 E N 0.335 120.493 120.200 -0.069 0.000 2.319 1082 E HA 0.252 4.712 4.350 0.183 0.000 0.268 1082 E C -2.322 174.215 176.600 -0.105 0.000 1.050 1082 E CA -2.129 54.214 56.400 -0.096 0.000 0.878 1082 E CB 0.804 30.470 29.700 -0.056 0.000 1.066 1082 E HN -0.048 nan 8.360 nan 0.000 0.406 1083 P HA 0.088 nan 4.420 nan 0.000 0.275 1083 P C -0.988 176.311 177.300 -0.001 0.000 1.228 1083 P CA -0.182 62.746 63.100 -0.288 0.000 0.786 1083 P CB 0.683 31.981 31.700 -0.669 0.000 0.927 1084 V N 2.590 122.618 119.914 0.189 0.000 2.638 1084 V HA 0.275 4.505 4.120 0.183 0.000 0.306 1084 V C -0.386 175.911 176.094 0.338 0.000 1.052 1084 V CA -0.600 61.853 62.300 0.254 0.000 0.885 1084 V CB 2.074 34.089 31.823 0.321 0.000 0.999 1084 V HN 0.431 nan 8.190 nan 0.000 0.424 1085 D N 2.615 123.165 120.400 0.250 0.000 2.255 1085 D HA 0.243 4.993 4.640 0.183 0.000 0.249 1085 D C 0.579 177.031 176.300 0.252 0.000 1.078 1085 D CA -0.258 53.889 54.000 0.245 0.000 0.896 1085 D CB 1.888 42.786 40.800 0.164 0.000 1.194 1085 D HN 0.544 nan 8.370 nan 0.000 0.429 1086 D N 1.140 121.711 120.400 0.285 0.000 2.133 1086 D HA -0.227 4.523 4.640 0.183 0.000 0.192 1086 D C 1.650 178.052 176.300 0.170 0.000 1.001 1086 D CA 1.602 55.764 54.000 0.270 0.000 0.844 1086 D CB -0.003 40.951 40.800 0.257 0.000 0.944 1086 D HN 0.446 nan 8.370 nan 0.000 0.447 1087 K N 0.104 120.585 120.400 0.135 0.000 2.585 1087 K HA -0.050 4.380 4.320 0.183 0.000 0.194 1087 K C 0.659 177.307 176.600 0.080 0.000 1.037 1087 K CA 1.150 57.493 56.287 0.094 0.000 0.964 1087 K CB 0.184 32.729 32.500 0.075 0.000 0.787 1087 K HN 0.048 nan 8.250 nan 0.000 0.488 1088 D N -0.275 120.182 120.400 0.096 0.000 2.454 1088 D HA 0.056 4.806 4.640 0.183 0.000 0.219 1088 D C 1.616 177.953 176.300 0.061 0.000 1.081 1088 D CA 0.120 54.158 54.000 0.062 0.000 0.867 1088 D CB 0.270 41.105 40.800 0.060 0.000 1.054 1088 D HN 0.016 nan 8.370 nan 0.000 0.500 1089 V N 1.756 121.746 119.914 0.126 0.000 2.317 1089 V HA -0.336 3.893 4.120 0.183 0.000 0.251 1089 V C 2.528 178.694 176.094 0.120 0.000 1.065 1089 V CA 2.094 64.509 62.300 0.193 0.000 1.049 1089 V CB -0.318 31.579 31.823 0.124 0.000 0.651 1089 V HN 0.159 nan 8.190 nan 0.000 0.450 1090 K N 0.097 120.535 120.400 0.064 0.000 1.985 1090 K HA -0.171 4.259 4.320 0.183 0.000 0.210 1090 K C 2.201 178.796 176.600 -0.009 0.000 1.047 1090 K CA 1.767 58.078 56.287 0.040 0.000 0.932 1090 K CB -0.560 31.971 32.500 0.052 0.000 0.716 1090 K HN 0.385 nan 8.250 nan 0.000 0.439 1091 A N 1.207 124.013 122.820 -0.024 0.000 1.917 1091 A HA -0.223 4.207 4.320 0.183 0.000 0.219 1091 A C 1.972 179.471 177.584 -0.141 0.000 1.182 1091 A CA 1.996 53.998 52.037 -0.059 0.000 0.633 1091 A CB -0.467 18.505 19.000 -0.047 0.000 0.819 1091 A HN 0.372 nan 8.150 nan 0.000 0.448 1092 K N -2.555 117.700 120.400 -0.242 0.000 2.186 1092 K HA -0.010 4.420 4.320 0.183 0.000 0.202 1092 K C 1.300 177.456 176.600 -0.740 0.000 1.052 1092 K CA 1.417 57.375 56.287 -0.547 0.000 0.965 1092 K CB -0.058 31.949 32.500 -0.820 0.000 0.746 1092 K HN 0.691 nan 8.250 nan 0.000 0.457 1093 Y N -0.266 119.901 120.300 -0.222 0.000 2.585 1093 Y HA 0.108 4.768 4.550 0.183 0.000 0.272 1093 Y C 2.077 177.754 175.900 -0.371 0.000 1.119 1093 Y CA -0.317 57.512 58.100 -0.451 0.000 1.255 1093 Y CB 0.026 38.090 38.460 -0.659 0.000 1.284 1093 Y HN 0.004 nan 8.280 nan 0.000 0.499 1094 E N 0.746 120.913 120.200 -0.055 0.000 2.085 1094 E HA -0.203 4.257 4.350 0.183 0.000 0.194 1094 E C 1.441 178.066 176.600 0.041 0.000 0.994 1094 E CA 2.276 58.681 56.400 0.009 0.000 0.801 1094 E CB 0.026 29.773 29.700 0.078 0.000 0.743 1094 E HN 0.435 nan 8.360 nan 0.000 0.453 1095 T N -0.303 114.260 114.554 0.015 0.000 2.737 1095 T HA -0.204 4.256 4.350 0.183 0.000 0.269 1095 T C 2.008 176.752 174.700 0.073 0.000 1.040 1095 T CA 1.538 63.663 62.100 0.042 0.000 1.142 1095 T CB -0.329 68.545 68.868 0.011 0.000 0.861 1095 T HN 0.090 nan 8.240 nan 0.000 0.456 1096 S N -0.025 115.698 115.700 0.039 0.000 2.421 1096 S HA 0.151 4.731 4.470 0.183 0.000 0.224 1096 S C 2.022 176.748 174.600 0.209 0.000 1.035 1096 S CA -0.094 58.190 58.200 0.139 0.000 0.953 1096 S CB -0.367 62.893 63.200 0.099 0.000 0.810 1096 S HN 0.448 nan 8.310 nan 0.000 0.497 1097 I N 1.636 122.228 120.570 0.038 0.000 2.151 1097 I HA -0.220 4.060 4.170 0.183 0.000 0.243 1097 I C 2.147 178.395 176.117 0.218 0.000 1.080 1097 I CA 1.318 62.699 61.300 0.134 0.000 1.339 1097 I CB -0.398 37.600 38.000 -0.002 0.000 1.039 1097 I HN 0.325 nan 8.210 nan 0.000 0.409 1098 L N 0.188 121.550 121.223 0.231 0.000 2.093 1098 L HA -0.191 4.259 4.340 0.183 0.000 0.208 1098 L C 2.344 179.323 176.870 0.182 0.000 1.085 1098 L CA 1.303 56.317 54.840 0.290 0.000 0.755 1098 L CB -0.474 41.761 42.059 0.294 0.000 0.904 1098 L HN 0.264 nan 8.230 nan 0.000 0.435 1099 E N -1.091 119.208 120.200 0.165 0.000 2.409 1099 E HA -0.130 4.330 4.350 0.183 0.000 0.198 1099 E C 0.668 177.188 176.600 -0.132 0.000 1.024 1099 E CA 0.565 56.995 56.400 0.049 0.000 0.861 1099 E CB 0.165 29.926 29.700 0.102 0.000 0.788 1099 E HN 0.551 nan 8.360 nan 0.000 0.521 1100 H N -0.775 118.321 119.070 0.042 0.000 2.549 1100 H HA 0.237 4.903 4.556 0.183 0.000 0.253 1100 H C -0.367 174.913 175.328 -0.081 0.000 1.170 1100 H CA -0.071 55.983 56.048 0.010 0.000 0.943 1100 H CB 0.617 30.425 29.762 0.076 0.000 1.849 1100 H HN 0.004 nan 8.280 nan 0.000 0.603 1101 S N -1.382 114.222 115.700 -0.160 0.000 2.671 1101 S HA 0.707 5.287 4.470 0.183 0.000 0.277 1101 S C 0.550 174.651 174.600 -0.833 0.000 1.165 1101 S CA -0.411 57.508 58.200 -0.468 0.000 0.822 1101 S CB 2.811 65.705 63.200 -0.510 0.000 1.150 1101 S HN 0.494 nan 8.310 nan 0.000 0.479 1102 G N 0.430 108.468 108.800 -1.271 0.000 2.598 1102 G HA2 -0.177 3.893 3.960 0.183 0.000 0.244 1102 G HA3 -0.177 3.893 3.960 0.183 0.000 0.244 1102 G C -0.665 174.047 174.900 -0.312 0.000 1.302 1102 G CA -0.224 44.255 45.100 -1.035 0.000 0.903 1102 G HN 1.052 nan 8.290 nan 0.000 0.575 1103 I N 2.743 123.281 120.570 -0.052 0.000 2.294 1103 I HA 0.415 4.695 4.170 0.183 0.000 0.295 1103 I C 1.129 177.242 176.117 -0.007 0.000 1.098 1103 I CA -0.058 61.240 61.300 -0.004 0.000 1.277 1103 I CB 0.051 38.096 38.000 0.075 0.000 1.434 1103 I HN 0.698 nan 8.210 nan 0.000 0.498 1104 R N 5.466 125.939 120.500 -0.044 0.000 2.987 1104 R HA 0.652 5.102 4.340 0.183 0.000 0.248 1104 R C -1.014 175.279 176.300 -0.011 0.000 1.264 1104 R CA -1.105 54.978 56.100 -0.028 0.000 1.026 1104 R CB 1.002 31.254 30.300 -0.079 0.000 1.286 1104 R HN 0.225 nan 8.270 nan 0.000 0.483 1105 L N 1.485 122.713 121.223 0.009 0.000 2.485 1105 L HA 0.154 4.604 4.340 0.183 0.000 0.275 1105 L C 0.439 177.330 176.870 0.035 0.000 1.207 1105 L CA -0.130 54.731 54.840 0.035 0.000 0.855 1105 L CB 0.327 42.416 42.059 0.051 0.000 1.114 1105 L HN 0.446 nan 8.230 nan 0.000 0.485 1106 I N 3.376 123.976 120.570 0.050 0.000 2.581 1106 I HA -0.036 4.243 4.170 0.183 0.000 0.285 1106 I C 0.411 176.623 176.117 0.158 0.000 1.129 1106 I CA 0.265 61.636 61.300 0.119 0.000 1.397 1106 I CB -0.003 38.063 38.000 0.110 0.000 1.399 1106 I HN 0.582 nan 8.210 nan 0.000 0.537 1107 E N 8.994 129.327 120.200 0.222 0.000 2.105 1107 E HA 0.147 4.607 4.350 0.183 0.000 0.285 1107 E C -1.738 174.999 176.600 0.229 0.000 1.055 1107 E CA -1.631 54.870 56.400 0.170 0.000 0.843 1107 E CB 0.870 30.645 29.700 0.123 0.000 1.067 1107 E HN 0.414 nan 8.360 nan 0.000 0.398 1108 P HA -0.151 nan 4.420 nan 0.000 0.223 1108 P C 1.113 178.512 177.300 0.164 0.000 1.151 1108 P CA 0.742 63.968 63.100 0.211 0.000 0.787 1108 P CB 0.312 32.076 31.700 0.107 0.000 0.788 1109 E N 0.242 120.493 120.200 0.086 0.000 2.209 1109 E HA -0.137 4.323 4.350 0.183 0.000 0.196 1109 E C 1.400 177.979 176.600 -0.035 0.000 0.993 1109 E CA 0.786 57.204 56.400 0.031 0.000 0.819 1109 E CB -0.453 29.255 29.700 0.012 0.000 0.745 1109 E HN 0.220 nan 8.360 nan 0.000 0.477 1110 L N -0.249 120.893 121.223 -0.134 0.000 2.599 1110 L HA 0.056 4.506 4.340 0.183 0.000 0.230 1110 L C 0.209 176.630 176.870 -0.747 0.000 1.141 1110 L CA 0.058 54.617 54.840 -0.468 0.000 0.877 1110 L CB 0.227 41.877 42.059 -0.682 0.000 1.009 1110 L HN 0.101 nan 8.230 nan 0.000 0.447 1111 F N -0.576 119.479 119.950 0.175 0.000 2.733 1111 F HA 0.298 4.934 4.527 0.182 0.000 0.380 1111 F C 0.550 176.446 175.800 0.160 0.000 1.324 1111 F CA -0.880 57.243 58.000 0.206 0.000 1.178 1111 F CB -0.267 38.938 39.000 0.341 0.000 1.093 1111 F HN -0.018 nan 8.300 nan 0.000 0.512 1112 N N 0.620 119.436 118.700 0.194 0.000 2.713 1112 N HA -0.223 4.626 4.740 0.183 0.000 0.251 1112 N C 1.341 176.942 175.510 0.151 0.000 1.117 1112 N CA 1.372 54.505 53.050 0.138 0.000 0.770 1112 N CB -1.203 37.356 38.487 0.120 0.000 1.137 1112 N HN 0.800 nan 8.380 nan 0.000 0.566 1113 G N -0.812 108.103 108.800 0.191 0.000 2.163 1113 G HA2 -0.352 3.718 3.960 0.183 0.000 0.213 1113 G HA3 -0.352 3.718 3.960 0.183 0.000 0.213 1113 G C -0.148 174.875 174.900 0.206 0.000 0.991 1113 G CA 0.144 45.341 45.100 0.162 0.000 0.653 1113 G HN 0.571 nan 8.290 nan 0.000 0.518 1114 Y N 2.117 122.522 120.300 0.174 0.000 2.802 1114 Y HA 0.432 5.090 4.550 0.180 0.000 0.333 1114 Y C 0.019 176.011 175.900 0.152 0.000 1.244 1114 Y CA -0.316 57.867 58.100 0.138 0.000 1.558 1114 Y CB 0.397 38.934 38.460 0.129 0.000 1.233 1114 Y HN 0.165 nan 8.280 nan 0.000 0.547 1115 N N 8.754 127.305 118.700 -0.249 0.000 2.531 1115 N HA 0.303 5.153 4.740 0.183 0.000 0.268 1115 N C -2.357 172.919 175.510 -0.390 0.000 1.023 1115 N CA -2.228 50.631 53.050 -0.319 0.000 0.896 1115 N CB 1.962 40.401 38.487 -0.080 0.000 1.233 1115 N HN 0.317 nan 8.380 nan 0.000 0.512 1116 P HA -0.090 nan 4.420 nan 0.000 0.219 1116 P C 0.628 177.972 177.300 0.073 0.000 1.146 1116 P CA 1.242 64.276 63.100 -0.110 0.000 0.808 1116 P CB 0.558 32.225 31.700 -0.055 0.000 0.779 1117 E N -0.782 119.417 120.200 -0.003 0.000 2.216 1117 E HA -0.062 4.398 4.350 0.183 0.000 0.192 1117 E C 1.034 177.660 176.600 0.044 0.000 0.988 1117 E CA 0.670 57.093 56.400 0.039 0.000 0.834 1117 E CB 0.042 29.756 29.700 0.023 0.000 0.772 1117 E HN 0.190 nan 8.360 nan 0.000 0.479 1118 K N 1.581 121.994 120.400 0.022 0.000 2.753 1118 K HA 0.129 4.559 4.320 0.183 0.000 0.185 1118 K C -1.030 175.584 176.600 0.024 0.000 1.071 1118 K CA -0.241 56.061 56.287 0.024 0.000 0.999 1118 K CB 0.595 33.106 32.500 0.017 0.000 1.244 1118 K HN -0.220 nan 8.250 nan 0.000 0.594 1119 K N 2.626 123.041 120.400 0.026 0.000 2.276 1119 K HA 0.115 4.545 4.320 0.183 0.000 0.285 1119 K C -0.704 175.871 176.600 -0.042 0.000 1.062 1119 K CA -0.226 56.062 56.287 0.001 0.000 0.918 1119 K CB 0.757 33.215 32.500 -0.070 0.000 1.055 1119 K HN 0.459 nan 8.250 nan 0.000 0.477 1120 E N 4.522 124.705 120.200 -0.029 0.000 2.316 1120 E HA 0.150 4.610 4.350 0.183 0.000 0.275 1120 E C -0.387 176.172 176.600 -0.068 0.000 1.029 1120 E CA 0.294 56.675 56.400 -0.033 0.000 0.871 1120 E CB 1.007 30.702 29.700 -0.009 0.000 1.022 1120 E HN 0.441 nan 8.360 nan 0.000 0.418 1121 M N 2.795 122.367 119.600 -0.048 0.000 2.520 1121 M HA 0.423 5.013 4.480 0.183 0.000 0.280 1121 M C -0.757 175.542 176.300 -0.002 0.000 1.232 1121 M CA -0.772 54.501 55.300 -0.046 0.000 0.892 1121 M CB 2.117 34.676 32.600 -0.067 0.000 1.728 1121 M HN 0.431 nan 8.290 nan 0.000 0.475 1122 I N -0.473 120.106 120.570 0.014 0.000 2.525 1122 I HA 0.713 4.993 4.170 0.183 0.000 0.301 1122 I C -1.041 175.166 176.117 0.149 0.000 0.992 1122 I CA -0.650 60.696 61.300 0.077 0.000 1.162 1122 I CB 1.809 39.840 38.000 0.051 0.000 1.332 1122 I HN 0.790 nan 8.210 nan 0.000 0.458 1123 Q N 3.623 123.545 119.800 0.204 0.000 2.345 1123 Q HA 0.355 4.805 4.340 0.183 0.000 0.268 1123 Q C -1.009 175.158 176.000 0.278 0.000 1.054 1123 Q CA -0.675 55.261 55.803 0.220 0.000 0.835 1123 Q CB 2.233 31.039 28.738 0.113 0.000 1.339 1123 Q HN 0.762 nan 8.270 nan 0.000 0.447 1124 E N 1.969 122.288 120.200 0.199 0.000 2.289 1124 E HA 0.409 4.869 4.350 0.183 0.000 0.278 1124 E C -1.192 175.357 176.600 -0.086 0.000 1.032 1124 E CA -0.528 55.802 56.400 -0.117 0.000 0.854 1124 E CB 1.042 30.689 29.700 -0.087 0.000 1.046 1124 E HN 0.461 nan 8.360 nan 0.000 0.409 1125 V N 1.761 121.586 119.914 -0.148 0.000 3.049 1125 V HA 0.492 4.721 4.120 0.183 0.000 0.309 1125 V C -0.591 175.449 176.094 -0.089 0.000 1.148 1125 V CA -1.152 61.101 62.300 -0.078 0.000 0.990 1125 V CB 1.705 33.501 31.823 -0.044 0.000 1.039 1125 V HN 0.459 nan 8.190 nan 0.000 0.430 1126 I N 3.193 123.732 120.570 -0.051 0.000 2.331 1126 I HA 0.368 4.648 4.170 0.183 0.000 0.292 1126 I C 0.445 176.543 176.117 -0.031 0.000 0.998 1126 I CA -0.525 60.752 61.300 -0.039 0.000 1.267 1126 I CB 1.545 39.532 38.000 -0.021 0.000 1.386 1126 I HN 0.743 nan 8.210 nan 0.000 0.476 1127 V N 6.754 126.648 119.914 -0.034 0.000 2.479 1127 V HA 0.126 4.356 4.120 0.183 0.000 0.281 1127 V C 1.092 177.174 176.094 -0.020 0.000 1.031 1127 V CA 0.310 62.592 62.300 -0.031 0.000 1.038 1127 V CB 0.477 32.276 31.823 -0.042 0.000 0.981 1127 V HN 0.868 nan 8.190 nan 0.000 0.478 1128 E N 3.843 124.034 120.200 -0.015 0.000 2.230 1128 E HA 0.149 4.609 4.350 0.183 0.000 0.192 1128 E C 0.155 176.751 176.600 -0.007 0.000 0.987 1128 E CA 0.651 57.045 56.400 -0.009 0.000 0.841 1128 E CB 0.358 30.055 29.700 -0.006 0.000 0.783 1128 E HN 0.880 nan 8.360 nan 0.000 0.481 1129 E N 0.678 120.873 120.200 -0.009 0.000 2.343 1129 E HA 0.115 4.575 4.350 0.183 0.000 0.278 1129 E C -1.658 174.936 176.600 -0.010 0.000 0.910 1129 E CA -0.784 55.612 56.400 -0.007 0.000 0.757 1129 E CB 1.646 31.344 29.700 -0.003 0.000 1.218 1129 E HN -0.065 nan 8.360 nan 0.000 0.435 1130 D N 2.233 122.628 120.400 -0.009 0.000 3.264 1130 D HA -0.129 4.621 4.640 0.183 0.000 0.213 1130 D C -0.230 176.065 176.300 -0.008 0.000 1.112 1130 D CA 0.600 54.593 54.000 -0.011 0.000 0.777 1130 D CB 0.150 40.947 40.800 -0.004 0.000 1.156 1130 D HN 0.103 nan 8.370 nan 0.000 0.556 1131 L N 2.064 123.279 121.223 -0.013 0.000 2.482 1131 L HA 0.049 4.499 4.340 0.183 0.000 0.273 1131 L C 0.945 177.826 176.870 0.019 0.000 1.228 1131 L CA 0.388 55.229 54.840 0.002 0.000 0.827 1131 L CB 0.057 42.119 42.059 0.005 0.000 1.099 1131 L HN 0.405 nan 8.230 nan 0.000 0.494 1132 E N 2.691 122.912 120.200 0.034 0.000 2.289 1132 E HA 0.279 4.739 4.350 0.183 0.000 0.278 1132 E C -2.262 174.392 176.600 0.090 0.000 1.032 1132 E CA -1.431 54.996 56.400 0.045 0.000 0.854 1132 E CB 0.699 30.422 29.700 0.039 0.000 1.046 1132 E HN 0.320 nan 8.360 nan 0.000 0.409 1133 P HA 0.062 nan 4.420 nan 0.000 0.267 1133 P C -1.168 176.203 177.300 0.117 0.000 1.200 1133 P CA 0.357 63.473 63.100 0.026 0.000 0.772 1133 P CB 0.160 31.854 31.700 -0.010 0.000 0.855 1134 F N -1.459 118.480 119.950 -0.018 0.000 2.588 1134 F HA 0.615 5.265 4.527 0.206 0.000 0.314 1134 F C -0.016 175.802 175.800 0.030 0.000 1.069 1134 F CA -1.623 56.376 58.000 -0.001 0.000 0.931 1134 F CB 1.297 40.288 39.000 -0.015 0.000 1.260 1134 F HN 0.176 nan 8.300 nan 0.000 0.465 1135 E N 1.309 121.608 120.200 0.165 0.000 2.373 1135 E HA 0.639 5.099 4.350 0.183 0.000 0.263 1135 E C -0.920 175.784 176.600 0.174 0.000 1.073 1135 E CA -0.391 56.069 56.400 0.098 0.000 0.894 1135 E CB 1.154 30.919 29.700 0.109 0.000 1.008 1135 E HN 1.008 nan 8.360 nan 0.000 0.420 1136 A N 1.980 124.878 122.820 0.130 0.000 2.608 1136 A HA 0.442 4.872 4.320 0.183 0.000 0.292 1136 A C -0.710 176.966 177.584 0.153 0.000 1.066 1136 A CA -0.486 51.662 52.037 0.185 0.000 0.676 1136 A CB 1.020 20.148 19.000 0.215 0.000 1.277 1136 A HN 0.669 nan 8.150 nan 0.000 0.413 1137 S N 0.438 116.212 115.700 0.124 0.000 2.608 1137 S HA 0.295 4.875 4.470 0.183 0.000 0.261 1137 S C 1.072 175.685 174.600 0.022 0.000 1.314 1137 S CA 0.337 58.587 58.200 0.084 0.000 0.992 1137 S CB 0.976 64.204 63.200 0.047 0.000 0.935 1137 S HN 0.931 nan 8.310 nan 0.000 0.564 1138 K N 0.568 120.957 120.400 -0.019 0.000 2.025 1138 K HA -0.162 4.268 4.320 0.183 0.000 0.207 1138 K C 2.160 178.597 176.600 -0.273 0.000 1.049 1138 K CA 1.505 57.613 56.287 -0.298 0.000 0.933 1138 K CB -0.392 32.005 32.500 -0.173 0.000 0.714 1138 K HN 0.846 nan 8.250 nan 0.000 0.438 1139 E N -0.215 119.905 120.200 -0.133 0.000 2.070 1139 E HA -0.194 4.266 4.350 0.183 0.000 0.197 1139 E C 1.560 178.085 176.600 -0.126 0.000 1.004 1139 E CA 1.904 58.236 56.400 -0.112 0.000 0.805 1139 E CB -0.006 29.652 29.700 -0.070 0.000 0.744 1139 E HN 0.292 nan 8.360 nan 0.000 0.451 1140 T N 0.333 114.826 114.554 -0.101 0.000 2.812 1140 T HA -0.033 4.426 4.350 0.183 0.000 0.264 1140 T C 1.811 176.457 174.700 -0.091 0.000 1.042 1140 T CA 1.156 63.182 62.100 -0.125 0.000 1.140 1140 T CB -0.241 68.607 68.868 -0.033 0.000 0.870 1140 T HN 0.351 nan 8.240 nan 0.000 0.445 1141 A N 1.574 124.397 122.820 0.004 0.000 1.933 1141 A HA -0.144 4.286 4.320 0.183 0.000 0.218 1141 A C 2.160 179.763 177.584 0.030 0.000 1.175 1141 A CA 1.605 53.708 52.037 0.109 0.000 0.628 1141 A CB -0.506 18.463 19.000 -0.051 0.000 0.814 1141 A HN 0.559 nan 8.150 nan 0.000 0.444 1142 E N -0.512 119.616 120.200 -0.119 0.000 2.106 1142 E HA -0.215 4.245 4.350 0.183 0.000 0.192 1142 E C 2.222 178.821 176.600 -0.001 0.000 0.984 1142 E CA 1.216 57.569 56.400 -0.079 0.000 0.806 1142 E CB -0.179 29.447 29.700 -0.123 0.000 0.750 1142 E HN 0.737 nan 8.360 nan 0.000 0.458 1143 Q N -0.401 119.350 119.800 -0.080 0.000 2.170 1143 Q HA -0.157 4.293 4.340 0.183 0.000 0.203 1143 Q C 1.727 177.688 176.000 -0.065 0.000 0.976 1143 Q CA 1.055 56.780 55.803 -0.130 0.000 0.858 1143 Q CB -0.040 28.533 28.738 -0.275 0.000 0.907 1143 Q HN 0.232 nan 8.270 nan 0.000 0.433 1144 F N 0.700 120.689 119.950 0.065 0.000 2.128 1144 F HA -0.102 4.518 4.527 0.155 0.000 0.295 1144 F C 2.316 178.218 175.800 0.171 0.000 1.100 1144 F CA 1.136 59.225 58.000 0.150 0.000 1.260 1144 F CB -0.270 38.814 39.000 0.140 0.000 1.009 1144 F HN -0.110 nan 8.300 nan 0.000 0.476 1145 K N -0.567 120.012 120.400 0.298 0.000 2.147 1145 K HA -0.217 4.213 4.320 0.183 0.000 0.205 1145 K C 2.029 178.720 176.600 0.152 0.000 1.049 1145 K CA 1.454 57.843 56.287 0.170 0.000 0.936 1145 K CB -0.478 32.056 32.500 0.057 0.000 0.722 1145 K HN 0.391 nan 8.250 nan 0.000 0.446 1146 H N -0.974 118.121 119.070 0.042 0.000 2.387 1146 H HA -0.138 4.528 4.556 0.183 0.000 0.299 1146 H C 2.004 177.332 175.328 -0.001 0.000 1.090 1146 H CA 1.751 57.802 56.048 0.005 0.000 1.332 1146 H CB 0.252 30.001 29.762 -0.022 0.000 1.386 1146 H HN 0.260 nan 8.280 nan 0.000 0.516 1147 Q N -0.589 119.330 119.800 0.199 0.000 2.062 1147 Q HA -0.108 4.341 4.340 0.183 0.000 0.196 1147 Q C 1.670 177.620 176.000 -0.083 0.000 0.967 1147 Q CA 1.668 57.479 55.803 0.012 0.000 0.832 1147 Q CB 0.021 28.687 28.738 -0.119 0.000 0.899 1147 Q HN 0.619 nan 8.270 nan 0.000 0.442 1148 H N -1.096 118.054 119.070 0.133 0.000 2.486 1148 H HA 0.254 4.906 4.556 0.160 0.000 0.287 1148 H C 1.330 176.687 175.328 0.049 0.000 1.010 1148 H CA 0.838 56.938 56.048 0.087 0.000 1.324 1148 H CB 0.311 30.121 29.762 0.081 0.000 1.446 1148 H HN 0.415 nan 8.280 nan 0.000 0.537 1149 G N 2.139 111.027 108.800 0.146 0.000 2.602 1149 G HA2 -0.424 3.646 3.960 0.183 0.000 0.310 1149 G HA3 -0.424 3.646 3.960 0.183 0.000 0.310 1149 G C 0.884 175.817 174.900 0.055 0.000 1.183 1149 G CA 0.852 45.992 45.100 0.066 0.000 0.979 1149 G HN 0.378 nan 8.290 nan 0.000 0.545 1150 D N 0.841 121.266 120.400 0.043 0.000 2.311 1150 D HA 0.015 4.765 4.640 0.183 0.000 0.212 1150 D C 2.164 178.485 176.300 0.035 0.000 0.972 1150 D CA 1.371 55.390 54.000 0.032 0.000 0.887 1150 D CB -0.051 40.766 40.800 0.028 0.000 0.915 1150 D HN 0.376 nan 8.370 nan 0.000 0.497 1151 K N -0.606 119.830 120.400 0.061 0.000 2.397 1151 K HA 0.262 4.692 4.320 0.183 0.000 0.202 1151 K C -0.664 175.924 176.600 -0.020 0.000 1.022 1151 K CA -0.142 56.168 56.287 0.038 0.000 1.141 1151 K CB 1.420 33.965 32.500 0.075 0.000 0.857 1151 K HN -0.133 nan 8.250 nan 0.000 0.514 1152 V N -0.049 119.862 119.914 -0.005 0.000 2.932 1152 V HA 0.322 4.552 4.120 0.183 0.000 0.307 1152 V C -1.877 174.177 176.094 -0.066 0.000 1.147 1152 V CA -0.923 61.338 62.300 -0.065 0.000 0.951 1152 V CB 2.300 34.076 31.823 -0.077 0.000 1.031 1152 V HN -0.015 nan 8.190 nan 0.000 0.426 1153 D N 4.829 125.171 120.400 -0.095 0.000 2.278 1153 D HA 0.604 5.354 4.640 0.183 0.000 0.245 1153 D C -0.540 175.619 176.300 -0.234 0.000 1.052 1153 D CA 0.127 54.025 54.000 -0.171 0.000 0.834 1153 D CB 1.959 42.769 40.800 0.017 0.000 1.194 1153 D HN 0.696 nan 8.370 nan 0.000 0.481 1154 I N -0.936 119.390 120.570 -0.407 0.000 2.545 1154 I HA 0.700 4.980 4.170 0.183 0.000 0.292 1154 I C -1.438 174.442 176.117 -0.395 0.000 1.040 1154 I CA -0.767 60.399 61.300 -0.224 0.000 1.068 1154 I CB 1.644 39.623 38.000 -0.035 0.000 1.251 1154 I HN -0.012 nan 8.210 nan 0.000 0.424 1155 F N 2.814 122.833 119.950 0.114 0.000 2.591 1155 F HA 0.425 5.062 4.527 0.183 0.000 0.309 1155 F C 0.057 175.652 175.800 -0.341 0.000 1.098 1155 F CA -0.621 57.356 58.000 -0.039 0.000 0.937 1155 F CB 2.109 41.069 39.000 -0.066 0.000 1.250 1155 F HN 0.615 nan 8.300 nan 0.000 0.447 1156 E N 3.194 123.099 120.200 -0.493 0.000 2.344 1156 E HA 0.299 4.759 4.350 0.183 0.000 0.270 1156 E C -0.766 175.626 176.600 -0.347 0.000 1.021 1156 E CA -0.192 55.654 56.400 -0.922 0.000 0.887 1156 E CB 0.643 29.848 29.700 -0.825 0.000 0.997 1156 E HN 0.523 nan 8.360 nan 0.000 0.429 1157 I N 7.841 128.246 120.570 -0.275 0.000 2.281 1157 I HA 0.106 4.386 4.170 0.183 0.000 0.293 1157 I C -1.726 174.327 176.117 -0.107 0.000 1.085 1157 I CA -1.969 59.255 61.300 -0.127 0.000 1.257 1157 I CB 0.951 38.912 38.000 -0.065 0.000 1.430 1157 I HN 0.490 nan 8.210 nan 0.000 0.489 1158 P HA -0.164 nan 4.420 nan 0.000 0.219 1158 P C 0.871 178.147 177.300 -0.040 0.000 1.146 1158 P CA 1.284 64.344 63.100 -0.067 0.000 0.808 1158 P CB 0.291 31.959 31.700 -0.054 0.000 0.779 1159 E N -1.117 119.064 120.200 -0.032 0.000 2.112 1159 E HA -0.090 4.370 4.350 0.183 0.000 0.190 1159 E C 1.932 178.528 176.600 -0.007 0.000 0.979 1159 E CA 1.771 58.161 56.400 -0.017 0.000 0.814 1159 E CB -1.219 28.472 29.700 -0.014 0.000 0.762 1159 E HN 0.363 nan 8.360 nan 0.000 0.460 1160 T N -3.902 110.649 114.554 -0.006 0.000 3.040 1160 T HA 0.326 4.786 4.350 0.183 0.000 0.252 1160 T C 1.772 176.485 174.700 0.023 0.000 1.064 1160 T CA 0.433 62.540 62.100 0.011 0.000 1.110 1160 T CB 0.443 69.323 68.868 0.019 0.000 0.921 1160 T HN 0.299 nan 8.240 nan 0.000 0.480 1161 G N 1.121 109.928 108.800 0.010 0.000 2.213 1161 G HA2 -0.201 3.869 3.960 0.183 0.000 0.236 1161 G HA3 -0.201 3.869 3.960 0.183 0.000 0.236 1161 G C -0.095 174.866 174.900 0.102 0.000 0.991 1161 G CA 0.092 45.215 45.100 0.039 0.000 0.629 1161 G HN 0.638 nan 8.290 nan 0.000 0.517 1162 E N -0.647 119.609 120.200 0.093 0.000 2.280 1162 E HA 0.615 5.074 4.350 0.183 0.000 0.261 1162 E C -0.734 175.964 176.600 0.163 0.000 1.088 1162 E CA -0.683 55.838 56.400 0.201 0.000 0.915 1162 E CB 0.871 30.653 29.700 0.137 0.000 1.141 1162 E HN 0.229 nan 8.360 nan 0.000 0.433 1163 Y N 0.054 120.365 120.300 0.018 0.000 2.487 1163 Y HA 0.184 4.843 4.550 0.183 0.000 0.337 1163 Y C 0.428 176.307 175.900 -0.035 0.000 1.076 1163 Y CA -0.984 57.120 58.100 0.006 0.000 1.115 1163 Y CB 1.771 40.229 38.460 -0.003 0.000 1.235 1163 Y HN 0.360 nan 8.280 nan 0.000 0.468 1164 S N 0.691 116.441 115.700 0.083 0.000 2.508 1164 S HA 0.738 5.318 4.470 0.183 0.000 0.284 1164 S C -1.044 173.471 174.600 -0.142 0.000 1.192 1164 S CA -0.730 57.445 58.200 -0.042 0.000 1.070 1164 S CB 1.070 64.270 63.200 -0.001 0.000 1.004 1164 S HN 0.341 nan 8.310 nan 0.000 0.493 1165 V N 3.273 122.899 119.914 -0.480 0.000 2.350 1165 V HA 0.487 4.717 4.120 0.183 0.000 0.285 1165 V C 0.004 175.773 176.094 -0.542 0.000 1.014 1165 V CA -0.607 61.312 62.300 -0.636 0.000 0.831 1165 V CB 1.111 32.263 31.823 -1.118 0.000 1.000 1165 V HN 0.963 nan 8.190 nan 0.000 0.433 1166 K N 4.927 125.176 120.400 -0.252 0.000 2.449 1166 K HA 0.523 4.953 4.320 0.183 0.000 0.257 1166 K C -1.164 175.360 176.600 -0.126 0.000 0.989 1166 K CA -0.799 55.411 56.287 -0.127 0.000 0.916 1166 K CB 1.177 33.661 32.500 -0.027 0.000 1.136 1166 K HN 0.530 nan 8.250 nan 0.000 0.439 1167 L N 5.920 127.070 121.223 -0.122 0.000 2.369 1167 L HA 0.202 4.652 4.340 0.183 0.000 0.279 1167 L C 0.091 176.902 176.870 -0.098 0.000 1.108 1167 L CA 0.089 54.831 54.840 -0.163 0.000 0.852 1167 L CB 0.393 42.341 42.059 -0.185 0.000 1.169 1167 L HN 0.474 nan 8.230 nan 0.000 0.452 1168 L N 2.887 124.057 121.223 -0.089 0.000 2.479 1168 L HA 0.302 4.752 4.340 0.183 0.000 0.248 1168 L C 0.722 177.568 176.870 -0.040 0.000 1.205 1168 L CA -0.803 54.011 54.840 -0.043 0.000 0.817 1168 L CB 0.116 42.162 42.059 -0.022 0.000 1.162 1168 L HN 0.516 nan 8.230 nan 0.000 0.486 1169 K N 0.153 120.541 120.400 -0.020 0.000 2.401 1169 K HA 0.249 4.679 4.320 0.183 0.000 0.278 1169 K C 0.739 177.333 176.600 -0.009 0.000 1.018 1169 K CA 0.843 57.121 56.287 -0.014 0.000 0.981 1169 K CB 0.371 32.867 32.500 -0.006 0.000 0.933 1169 K HN 0.803 nan 8.250 nan 0.000 0.477 1170 G N 1.928 110.724 108.800 -0.007 0.000 2.278 1170 G HA2 -0.233 3.837 3.960 0.183 0.000 0.210 1170 G HA3 -0.233 3.837 3.960 0.183 0.000 0.210 1170 G C 0.210 175.119 174.900 0.016 0.000 1.000 1170 G CA -0.033 45.071 45.100 0.006 0.000 0.635 1170 G HN 0.963 nan 8.290 nan 0.000 0.495 1171 A N 0.504 123.325 122.820 0.001 0.000 2.409 1171 A HA 0.616 5.046 4.320 0.183 0.000 0.246 1171 A C 0.886 178.489 177.584 0.031 0.000 1.099 1171 A CA 1.481 53.531 52.037 0.022 0.000 0.789 1171 A CB 0.003 18.920 19.000 -0.139 0.000 1.053 1171 A HN 1.575 nan 8.150 nan 0.000 0.503 1172 T N -0.075 114.546 114.554 0.112 0.000 2.824 1172 T HA 0.655 5.115 4.350 0.183 0.000 0.280 1172 T C -0.378 174.307 174.700 -0.025 0.000 0.995 1172 T CA -0.567 61.538 62.100 0.009 0.000 1.009 1172 T CB 0.888 69.745 68.868 -0.018 0.000 0.955 1172 T HN 0.454 nan 8.240 nan 0.000 0.452 1173 L N 2.377 123.501 121.223 -0.165 0.000 2.370 1173 L HA 0.493 4.943 4.340 0.183 0.000 0.266 1173 L C -1.343 175.348 176.870 -0.299 0.000 1.002 1173 L CA -1.207 53.549 54.840 -0.139 0.000 0.818 1173 L CB 2.291 44.307 42.059 -0.071 0.000 1.325 1173 L HN 0.732 nan 8.230 nan 0.000 0.418 1174 Y N 3.277 123.608 120.300 0.051 0.000 2.369 1174 Y HA 0.436 4.990 4.550 0.007 0.000 0.337 1174 Y C 0.131 176.042 175.900 0.018 0.000 0.961 1174 Y CA -0.372 57.753 58.100 0.041 0.000 1.186 1174 Y CB 1.256 39.744 38.460 0.047 0.000 1.139 1174 Y HN 0.275 nan 8.280 nan 0.000 0.494 1175 I N 6.944 127.610 120.570 0.161 0.000 2.328 1175 I HA 0.318 4.597 4.170 0.183 0.000 0.287 1175 I C -2.329 173.841 176.117 0.088 0.000 1.012 1175 I CA -2.260 59.093 61.300 0.088 0.000 1.195 1175 I CB 1.419 39.446 38.000 0.045 0.000 1.350 1175 I HN 0.347 nan 8.210 nan 0.000 0.464 1176 P HA 0.118 nan 4.420 nan 0.000 0.267 1176 P C -1.107 176.213 177.300 0.033 0.000 1.200 1176 P CA -0.078 63.048 63.100 0.043 0.000 0.772 1176 P CB 0.484 32.198 31.700 0.024 0.000 0.855 1177 K N 0.508 120.924 120.400 0.026 0.000 2.533 1177 K HA 0.895 5.325 4.320 0.183 0.000 0.284 1177 K C -1.741 174.865 176.600 0.010 0.000 1.025 1177 K CA -1.261 55.038 56.287 0.020 0.000 0.900 1177 K CB 1.555 34.071 32.500 0.027 0.000 1.519 1177 K HN 0.287 nan 8.250 nan 0.000 0.432 1178 A N 1.010 123.837 122.820 0.012 0.000 2.413 1178 A HA 0.752 5.182 4.320 0.183 0.000 0.307 1178 A C -1.644 175.949 177.584 0.014 0.000 1.087 1178 A CA -0.865 51.176 52.037 0.008 0.000 0.750 1178 A CB 1.576 20.584 19.000 0.014 0.000 1.296 1178 A HN 0.480 nan 8.150 nan 0.000 0.423 1179 L N 1.233 122.463 121.223 0.011 0.000 2.410 1179 L HA 0.527 4.977 4.340 0.183 0.000 0.270 1179 L C -0.517 176.398 176.870 0.076 0.000 0.983 1179 L CA -0.347 54.513 54.840 0.033 0.000 0.822 1179 L CB 1.828 43.878 42.059 -0.016 0.000 1.285 1179 L HN 0.934 nan 8.230 nan 0.000 0.409 1180 R N 3.664 124.231 120.500 0.112 0.000 2.254 1180 R HA 0.412 4.862 4.340 0.183 0.000 0.318 1180 R C -0.944 175.516 176.300 0.266 0.000 1.031 1180 R CA -0.333 55.855 56.100 0.148 0.000 0.905 1180 R CB 1.231 31.593 30.300 0.104 0.000 1.050 1180 R HN 0.331 nan 8.270 nan 0.000 0.456 1181 F N 1.659 121.663 119.950 0.090 0.000 2.507 1181 F HA 0.266 4.905 4.527 0.187 0.000 0.327 1181 F C 0.727 176.591 175.800 0.108 0.000 1.068 1181 F CA -1.234 56.857 58.000 0.151 0.000 0.965 1181 F CB 1.590 40.727 39.000 0.228 0.000 1.192 1181 F HN 0.474 nan 8.300 nan 0.000 0.476 1182 D N 1.340 121.358 120.400 -0.638 0.000 2.213 1182 D HA -0.012 4.738 4.640 0.183 0.000 0.205 1182 D C 0.350 176.292 176.300 -0.597 0.000 0.961 1182 D CA 0.939 54.635 54.000 -0.507 0.000 0.853 1182 D CB 0.209 40.785 40.800 -0.374 0.000 0.967 1182 D HN 0.224 nan 8.370 nan 0.000 0.496 1183 R N 1.443 121.349 120.500 -0.991 0.000 2.220 1183 R HA 0.180 4.630 4.340 0.183 0.000 0.340 1183 R C 0.395 176.574 176.300 -0.202 0.000 1.076 1183 R CA -0.265 55.538 56.100 -0.494 0.000 0.920 1183 R CB 0.886 30.977 30.300 -0.348 0.000 1.062 1183 R HN 0.030 nan 8.270 nan 0.000 0.469 1184 L N 2.247 123.370 121.223 -0.166 0.000 2.731 1184 L HA 0.264 4.714 4.340 0.183 0.000 0.240 1184 L C 0.066 176.917 176.870 -0.031 0.000 1.120 1184 L CA 0.245 55.042 54.840 -0.071 0.000 0.913 1184 L CB 0.653 42.673 42.059 -0.063 0.000 1.213 1184 L HN 0.169 nan 8.230 nan 0.000 0.515 1185 V N -0.624 119.252 119.914 -0.064 0.000 2.709 1185 V HA 0.891 5.121 4.120 0.183 0.000 0.308 1185 V C -0.349 175.680 176.094 -0.108 0.000 1.062 1185 V CA -0.673 61.591 62.300 -0.060 0.000 0.901 1185 V CB 1.802 33.589 31.823 -0.059 0.000 1.003 1185 V HN 0.079 nan 8.190 nan 0.000 0.425 1186 A N 2.465 125.181 122.820 -0.173 0.000 2.566 1186 A HA 0.890 5.320 4.320 0.183 0.000 0.292 1186 A C 0.011 177.485 177.584 -0.184 0.000 1.112 1186 A CA -0.258 51.593 52.037 -0.309 0.000 0.707 1186 A CB 1.859 20.310 19.000 -0.915 0.000 1.302 1186 A HN 1.223 nan 8.150 nan 0.000 0.409 1187 G N 0.630 109.353 108.800 -0.128 0.000 2.448 1187 G HA2 0.506 4.576 3.960 0.183 0.000 0.309 1187 G HA3 0.506 4.576 3.960 0.183 0.000 0.309 1187 G C -0.370 174.497 174.900 -0.055 0.000 1.027 1187 G CA -0.155 44.917 45.100 -0.048 0.000 1.104 1187 G HN 0.661 nan 8.290 nan 0.000 0.428 1188 Q N 1.511 121.264 119.800 -0.079 0.000 2.266 1188 Q HA 0.443 4.893 4.340 0.183 0.000 0.261 1188 Q C -0.248 175.690 176.000 -0.103 0.000 0.985 1188 Q CA -0.991 54.799 55.803 -0.022 0.000 0.873 1188 Q CB 2.464 31.242 28.738 0.066 0.000 1.306 1188 Q HN 0.473 nan 8.270 nan 0.000 0.447 1189 I N 3.408 123.892 120.570 -0.143 0.000 2.845 1189 I HA -0.056 4.224 4.170 0.183 0.000 0.296 1189 I C -2.069 173.978 176.117 -0.116 0.000 1.216 1189 I CA -0.885 60.275 61.300 -0.234 0.000 1.438 1189 I CB -0.104 37.604 38.000 -0.487 0.000 1.342 1189 I HN 0.400 nan 8.210 nan 0.000 0.577 1190 P HA -0.047 nan 4.420 nan 0.000 0.263 1190 P C -0.707 176.623 177.300 0.050 0.000 1.175 1190 P CA 0.153 63.252 63.100 -0.002 0.000 0.761 1190 P CB 0.095 31.835 31.700 0.067 0.000 0.794 1191 T N 2.818 117.398 114.554 0.043 0.000 2.817 1191 T HA 0.371 4.831 4.350 0.183 0.000 0.295 1191 T C 1.349 176.000 174.700 -0.083 0.000 0.958 1191 T CA 1.043 63.147 62.100 0.006 0.000 1.157 1191 T CB -0.205 68.690 68.868 0.045 0.000 0.898 1191 T HN 0.791 nan 8.240 nan 0.000 0.536 1192 G N 2.723 111.485 108.800 -0.064 0.000 2.192 1192 G HA2 -0.193 3.877 3.960 0.183 0.000 0.193 1192 G HA3 -0.193 3.877 3.960 0.183 0.000 0.193 1192 G C 0.028 174.884 174.900 -0.074 0.000 0.999 1192 G CA -0.610 44.402 45.100 -0.148 0.000 0.659 1192 G HN 0.756 nan 8.290 nan 0.000 0.503 1193 W N 1.587 122.807 121.300 -0.134 0.000 2.209 1193 W HA 0.546 5.316 4.660 0.183 0.000 0.344 1193 W C 0.149 176.625 176.519 -0.071 0.000 1.285 1193 W CA 1.063 58.363 57.345 -0.074 0.000 1.267 1193 W CB 0.515 29.988 29.460 0.023 0.000 1.167 1193 W HN 0.156 nan 8.180 nan 0.000 0.574 1194 N N 3.371 121.753 118.700 -0.529 0.000 2.697 1194 N HA 0.180 5.030 4.740 0.183 0.000 0.271 1194 N C 0.193 175.288 175.510 -0.691 0.000 1.149 1194 N CA 0.202 53.007 53.050 -0.409 0.000 0.939 1194 N CB 1.348 39.641 38.487 -0.324 0.000 1.534 1194 N HN 0.552 nan 8.380 nan 0.000 0.556 1195 A N 3.292 125.808 122.820 -0.508 0.000 2.131 1195 A HA -0.128 4.302 4.320 0.183 0.000 0.220 1195 A C 1.923 179.358 177.584 -0.248 0.000 1.158 1195 A CA 1.162 52.978 52.037 -0.367 0.000 0.665 1195 A CB -0.138 18.814 19.000 -0.080 0.000 0.795 1195 A HN 0.684 nan 8.150 nan 0.000 0.460 1196 K N -0.998 119.257 120.400 -0.241 0.000 2.097 1196 K HA -0.131 4.299 4.320 0.183 0.000 0.206 1196 K C 2.264 178.735 176.600 -0.215 0.000 1.049 1196 K CA 1.747 57.922 56.287 -0.186 0.000 0.933 1196 K CB -0.270 32.132 32.500 -0.163 0.000 0.717 1196 K HN 0.633 nan 8.250 nan 0.000 0.442 1197 T N -1.377 112.950 114.554 -0.378 0.000 3.023 1197 T HA -0.089 4.371 4.350 0.183 0.000 0.266 1197 T C 1.563 175.987 174.700 -0.461 0.000 1.093 1197 T CA 0.663 62.465 62.100 -0.496 0.000 1.129 1197 T CB -0.160 68.206 68.868 -0.837 0.000 0.899 1197 T HN 0.134 nan 8.240 nan 0.000 0.491 1198 Y N 1.337 121.460 120.300 -0.295 0.000 2.561 1198 Y HA 0.338 4.997 4.550 0.183 0.000 0.291 1198 Y C 2.064 177.996 175.900 0.053 0.000 1.141 1198 Y CA 0.344 58.406 58.100 -0.063 0.000 1.303 1198 Y CB -0.110 38.299 38.460 -0.086 0.000 1.015 1198 Y HN 0.474 nan 8.280 nan 0.000 0.547 1199 G N 0.039 108.898 108.800 0.099 0.000 2.143 1199 G HA2 -0.213 3.857 3.960 0.183 0.000 0.175 1199 G HA3 -0.213 3.857 3.960 0.183 0.000 0.175 1199 G C -0.081 174.927 174.900 0.181 0.000 1.004 1199 G CA -0.401 44.788 45.100 0.150 0.000 0.671 1199 G HN 0.194 nan 8.290 nan 0.000 0.512 1200 I N 2.758 123.327 120.570 -0.001 0.000 2.371 1200 I HA 0.332 4.612 4.170 0.183 0.000 0.290 1200 I C 1.388 177.462 176.117 -0.072 0.000 1.028 1200 I CA -0.155 61.053 61.300 -0.154 0.000 1.345 1200 I CB 1.385 39.123 38.000 -0.437 0.000 1.407 1200 I HN 0.387 nan 8.210 nan 0.000 0.501 1201 S N 3.892 119.588 115.700 -0.006 0.000 2.552 1201 S HA -0.019 4.561 4.470 0.183 0.000 0.289 1201 S C 0.860 175.422 174.600 -0.063 0.000 1.304 1201 S CA -0.603 57.592 58.200 -0.008 0.000 1.063 1201 S CB 0.873 64.092 63.200 0.032 0.000 0.848 1201 S HN 0.582 nan 8.310 nan 0.000 0.499 1202 D N 2.270 122.638 120.400 -0.053 0.000 2.190 1202 D HA -0.136 4.614 4.640 0.183 0.000 0.200 1202 D C 1.095 177.350 176.300 -0.076 0.000 0.992 1202 D CA 1.597 55.558 54.000 -0.064 0.000 0.854 1202 D CB -0.275 40.497 40.800 -0.047 0.000 0.936 1202 D HN 0.725 nan 8.370 nan 0.000 0.462 1203 D N -0.074 120.285 120.400 -0.067 0.000 2.117 1203 D HA -0.074 4.676 4.640 0.183 0.000 0.197 1203 D C 2.204 178.423 176.300 -0.135 0.000 0.987 1203 D CA 0.442 54.396 54.000 -0.077 0.000 0.829 1203 D CB -0.155 40.615 40.800 -0.050 0.000 0.961 1203 D HN 0.287 nan 8.370 nan 0.000 0.460 1204 I N 0.596 121.065 120.570 -0.169 0.000 2.252 1204 I HA -0.199 4.080 4.170 0.183 0.000 0.245 1204 I C 2.051 178.004 176.117 -0.273 0.000 1.102 1204 I CA 0.460 61.587 61.300 -0.288 0.000 1.385 1204 I CB -0.147 37.678 38.000 -0.291 0.000 1.064 1204 I HN 0.017 nan 8.210 nan 0.000 0.414 1205 I N 0.490 120.944 120.570 -0.194 0.000 2.118 1205 I HA -0.354 3.926 4.170 0.183 0.000 0.241 1205 I C 2.811 178.846 176.117 -0.137 0.000 1.070 1205 I CA 1.882 63.090 61.300 -0.155 0.000 1.327 1205 I CB -1.420 36.514 38.000 -0.110 0.000 1.034 1205 I HN 0.308 nan 8.210 nan 0.000 0.405 1206 S N 0.688 116.318 115.700 -0.118 0.000 2.363 1206 S HA -0.324 4.256 4.470 0.183 0.000 0.218 1206 S C 2.089 176.624 174.600 -0.107 0.000 1.035 1206 S CA 2.217 60.361 58.200 -0.093 0.000 1.043 1206 S CB -0.450 62.707 63.200 -0.072 0.000 0.986 1206 S HN 0.493 nan 8.310 nan 0.000 0.423 1207 Q N 0.540 120.258 119.800 -0.136 0.000 2.217 1207 Q HA -0.036 4.414 4.340 0.183 0.000 0.209 1207 Q C 0.439 176.350 176.000 -0.149 0.000 0.988 1207 Q CA 1.458 57.179 55.803 -0.136 0.000 0.878 1207 Q CB -0.362 28.253 28.738 -0.205 0.000 0.909 1207 Q HN 0.440 nan 8.270 nan 0.000 0.424 1208 V N 1.013 120.788 119.914 -0.232 0.000 2.834 1208 V HA 0.150 4.380 4.120 0.183 0.000 0.313 1208 V C -0.257 175.757 176.094 -0.135 0.000 1.060 1208 V CA -0.833 61.327 62.300 -0.234 0.000 0.989 1208 V CB 1.658 33.218 31.823 -0.439 0.000 1.041 1208 V HN 0.321 nan 8.190 nan 0.000 0.459 1209 D N 3.948 124.299 120.400 -0.083 0.000 2.350 1209 D HA 0.174 4.924 4.640 0.183 0.000 0.249 1209 D C -1.661 174.538 176.300 -0.169 0.000 1.119 1209 D CA -1.558 52.394 54.000 -0.081 0.000 0.886 1209 D CB 2.069 42.854 40.800 -0.025 0.000 1.195 1209 D HN 0.182 nan 8.370 nan 0.000 0.437 1210 P HA -0.194 nan 4.420 nan 0.000 0.218 1210 P C 1.697 178.511 177.300 -0.810 0.000 1.154 1210 P CA 0.956 63.806 63.100 -0.417 0.000 0.872 1210 P CB 0.146 31.663 31.700 -0.305 0.000 0.790 1211 I N -1.213 119.036 120.570 -0.535 0.000 2.335 1211 I HA -0.235 4.045 4.170 0.183 0.000 0.251 1211 I C 1.418 177.364 176.117 -0.286 0.000 1.129 1211 I CA 1.700 62.753 61.300 -0.411 0.000 1.402 1211 I CB -0.343 37.665 38.000 0.013 0.000 1.069 1211 I HN 0.008 nan 8.210 nan 0.000 0.424 1212 T N 1.621 116.048 114.554 -0.212 0.000 2.833 1212 T HA -0.126 4.334 4.350 0.183 0.000 0.269 1212 T C 1.871 176.484 174.700 -0.145 0.000 1.054 1212 T CA 1.118 63.136 62.100 -0.136 0.000 1.135 1212 T CB -0.202 68.634 68.868 -0.052 0.000 0.869 1212 T HN 0.326 nan 8.240 nan 0.000 0.466 1213 L N -0.212 120.882 121.223 -0.215 0.000 2.056 1213 L HA -0.029 4.421 4.340 0.183 0.000 0.207 1213 L C 2.375 179.352 176.870 0.179 0.000 1.078 1213 L CA 1.219 56.022 54.840 -0.062 0.000 0.749 1213 L CB -0.692 41.361 42.059 -0.010 0.000 0.901 1213 L HN 0.195 nan 8.230 nan 0.000 0.433 1214 F N 0.125 120.106 119.950 0.052 0.000 2.043 1214 F HA -0.217 4.420 4.527 0.183 0.000 0.297 1214 F C 2.596 178.433 175.800 0.061 0.000 1.121 1214 F CA 0.991 59.004 58.000 0.022 0.000 1.199 1214 F CB -1.637 37.348 39.000 -0.025 0.000 0.968 1214 F HN -0.211 nan 8.300 nan 0.000 0.478 1215 V N 0.478 120.493 119.914 0.167 0.000 2.282 1215 V HA -0.312 3.917 4.120 0.183 0.000 0.249 1215 V C 2.635 178.796 176.094 0.111 0.000 1.057 1215 V CA 1.720 64.038 62.300 0.029 0.000 1.032 1215 V CB -0.911 30.730 31.823 -0.303 0.000 0.645 1215 V HN 0.323 nan 8.190 nan 0.000 0.447 1216 L N -0.475 120.806 121.223 0.096 0.000 2.012 1216 L HA -0.188 4.261 4.340 0.183 0.000 0.210 1216 L C 2.484 179.478 176.870 0.206 0.000 1.073 1216 L CA 1.480 56.410 54.840 0.149 0.000 0.748 1216 L CB -0.569 41.481 42.059 -0.015 0.000 0.891 1216 L HN 0.227 nan 8.230 nan 0.000 0.431 1217 V N -0.420 119.588 119.914 0.157 0.000 2.407 1217 V HA -0.246 3.984 4.120 0.183 0.000 0.248 1217 V C 2.506 178.675 176.094 0.126 0.000 1.055 1217 V CA 2.010 64.371 62.300 0.102 0.000 1.049 1217 V CB -0.406 31.415 31.823 -0.002 0.000 0.662 1217 V HN 0.528 nan 8.190 nan 0.000 0.455 1218 S N -0.219 115.587 115.700 0.177 0.000 2.395 1218 S HA -0.106 4.474 4.470 0.183 0.000 0.225 1218 S C 1.974 176.699 174.600 0.208 0.000 1.027 1218 S CA 1.129 59.440 58.200 0.186 0.000 0.965 1218 S CB -0.342 62.986 63.200 0.214 0.000 0.812 1218 S HN 0.358 nan 8.310 nan 0.000 0.482 1219 V N 2.022 122.081 119.914 0.243 0.000 2.392 1219 V HA -0.156 4.074 4.120 0.183 0.000 0.249 1219 V C 2.479 178.828 176.094 0.424 0.000 1.059 1219 V CA 1.442 63.923 62.300 0.302 0.000 1.051 1219 V CB -0.901 31.132 31.823 0.350 0.000 0.658 1219 V HN 0.376 nan 8.190 nan 0.000 0.455 1220 V N -0.321 119.826 119.914 0.388 0.000 2.223 1220 V HA -0.270 3.960 4.120 0.183 0.000 0.244 1220 V C 2.446 178.752 176.094 0.354 0.000 1.045 1220 V CA 2.200 64.734 62.300 0.391 0.000 1.000 1220 V CB -0.610 31.454 31.823 0.402 0.000 0.635 1220 V HN 0.559 nan 8.190 nan 0.000 0.445 1221 E N -0.317 120.051 120.200 0.281 0.000 2.219 1221 E HA -0.236 4.223 4.350 0.183 0.000 0.198 1221 E C 2.198 178.890 176.600 0.153 0.000 0.998 1221 E CA 1.277 57.820 56.400 0.240 0.000 0.818 1221 E CB -0.197 29.619 29.700 0.193 0.000 0.741 1221 E HN 0.607 nan 8.360 nan 0.000 0.477 1222 A N 0.207 123.103 122.820 0.126 0.000 1.898 1222 A HA -0.098 4.332 4.320 0.183 0.000 0.214 1222 A C 1.769 179.346 177.584 -0.011 0.000 1.183 1222 A CA 0.659 52.697 52.037 0.000 0.000 0.622 1222 A CB -0.536 18.447 19.000 -0.029 0.000 0.824 1222 A HN 0.162 nan 8.150 nan 0.000 0.444 1223 F N 0.740 120.744 119.950 0.090 0.000 2.171 1223 F HA -0.164 4.472 4.527 0.183 0.000 0.300 1223 F C 2.197 178.052 175.800 0.091 0.000 1.090 1223 F CA 1.170 59.215 58.000 0.075 0.000 1.293 1223 F CB -0.202 38.834 39.000 0.060 0.000 1.013 1223 F HN 0.141 nan 8.300 nan 0.000 0.486 1224 I N -0.160 120.600 120.570 0.317 0.000 2.264 1224 I HA -0.291 3.989 4.170 0.183 0.000 0.248 1224 I C 2.531 178.814 176.117 0.276 0.000 1.111 1224 I CA 1.527 63.009 61.300 0.305 0.000 1.382 1224 I CB -1.773 36.451 38.000 0.374 0.000 1.060 1224 I HN 0.092 nan 8.210 nan 0.000 0.418 1225 A N 0.027 122.936 122.820 0.149 0.000 2.168 1225 A HA -0.108 4.322 4.320 0.183 0.000 0.215 1225 A C 2.372 179.991 177.584 0.058 0.000 1.152 1225 A CA 1.580 53.659 52.037 0.070 0.000 0.716 1225 A CB -0.369 18.462 19.000 -0.281 0.000 0.794 1225 A HN 0.441 nan 8.150 nan 0.000 0.465 1226 S N -1.709 114.041 115.700 0.084 0.000 2.539 1226 S HA 0.378 4.958 4.470 0.183 0.000 0.221 1226 S C 1.262 175.925 174.600 0.106 0.000 0.987 1226 S CA 1.132 59.345 58.200 0.021 0.000 0.929 1226 S CB -0.361 62.851 63.200 0.020 0.000 0.832 1226 S HN 1.780 nan 8.310 nan 0.000 0.492 1227 G N 1.759 110.741 108.800 0.304 0.000 2.153 1227 G HA2 -0.191 3.878 3.960 0.183 0.000 0.252 1227 G HA3 -0.191 3.878 3.960 0.183 0.000 0.252 1227 G C -0.030 174.981 174.900 0.186 0.000 0.994 1227 G CA 0.359 45.667 45.100 0.347 0.000 0.698 1227 G HN 0.532 nan 8.290 nan 0.000 0.521 1228 I N 1.359 122.041 120.570 0.186 0.000 2.291 1228 I HA 0.269 4.549 4.170 0.183 0.000 0.292 1228 I C 1.335 177.463 176.117 0.019 0.000 1.064 1228 I CA 0.470 61.855 61.300 0.142 0.000 1.269 1228 I CB 0.693 38.891 38.000 0.331 0.000 1.418 1228 I HN 0.096 nan 8.210 nan 0.000 0.485 1229 T N 3.345 117.820 114.554 -0.131 0.000 3.039 1229 T HA -0.018 4.442 4.350 0.183 0.000 0.250 1229 T C 0.357 174.774 174.700 -0.471 0.000 1.052 1229 T CA 0.677 62.522 62.100 -0.424 0.000 1.125 1229 T CB 0.107 68.674 68.868 -0.501 0.000 0.908 1229 T HN 0.586 nan 8.240 nan 0.000 0.473 1230 D N 0.364 120.586 120.400 -0.298 0.000 2.471 1230 D HA 0.371 5.121 4.640 0.183 0.000 0.245 1230 D C -2.045 174.099 176.300 -0.259 0.000 1.116 1230 D CA -2.421 51.402 54.000 -0.294 0.000 0.853 1230 D CB 2.003 42.673 40.800 -0.216 0.000 1.123 1230 D HN -0.087 nan 8.370 nan 0.000 0.540 1231 P HA -0.185 nan 4.420 nan 0.000 0.217 1231 P C 0.808 178.018 177.300 -0.149 0.000 1.151 1231 P CA 1.040 63.898 63.100 -0.403 0.000 0.849 1231 P CB -0.011 31.435 31.700 -0.422 0.000 0.787 1232 Y N -0.186 119.964 120.300 -0.250 0.000 2.651 1232 Y HA -0.100 4.559 4.550 0.183 0.000 0.296 1232 Y C 2.260 178.076 175.900 -0.139 0.000 1.150 1232 Y CA -0.047 57.964 58.100 -0.148 0.000 1.348 1232 Y CB -1.311 37.167 38.460 0.031 0.000 0.983 1232 Y HN 0.203 nan 8.280 nan 0.000 0.555 1233 E N -0.150 120.065 120.200 0.024 0.000 2.208 1233 E HA -0.181 4.279 4.350 0.183 0.000 0.193 1233 E C 1.917 178.614 176.600 0.161 0.000 0.988 1233 E CA 0.578 57.028 56.400 0.084 0.000 0.828 1233 E CB -0.067 29.695 29.700 0.103 0.000 0.763 1233 E HN 0.417 nan 8.360 nan 0.000 0.478 1234 M N -0.224 119.370 119.600 -0.010 0.000 2.144 1234 M HA -0.211 4.379 4.480 0.183 0.000 0.260 1234 M C 1.241 177.596 176.300 0.092 0.000 1.067 1234 M CA 1.412 56.713 55.300 0.001 0.000 1.095 1234 M CB -0.154 32.293 32.600 -0.255 0.000 1.365 1234 M HN 0.186 nan 8.290 nan 0.000 0.406 1235 Y N -0.170 120.220 120.300 0.150 0.000 2.578 1235 Y HA 0.017 4.677 4.550 0.183 0.000 0.297 1235 Y C 1.934 177.820 175.900 -0.024 0.000 1.176 1235 Y CA 0.374 58.518 58.100 0.072 0.000 1.315 1235 Y CB -0.897 37.557 38.460 -0.011 0.000 1.031 1235 Y HN 0.174 nan 8.280 nan 0.000 0.524 1236 K N -0.967 119.472 120.400 0.066 0.000 2.167 1236 K HA -0.098 4.332 4.320 0.183 0.000 0.203 1236 K C 0.883 177.353 176.600 -0.215 0.000 1.052 1236 K CA 1.406 57.592 56.287 -0.168 0.000 0.956 1236 K CB -0.093 32.178 32.500 -0.382 0.000 0.735 1236 K HN 0.372 nan 8.250 nan 0.000 0.451 1237 Y N -0.626 119.734 120.300 0.101 0.000 2.524 1237 Y HA 0.121 4.781 4.550 0.183 0.000 0.270 1237 Y C 0.797 176.786 175.900 0.147 0.000 1.094 1237 Y CA -0.396 57.769 58.100 0.108 0.000 1.276 1237 Y CB 0.785 39.300 38.460 0.091 0.000 1.130 1237 Y HN -0.284 nan 8.280 nan 0.000 0.536 1238 V N -0.887 119.238 119.914 0.352 0.000 3.074 1238 V HA 0.250 4.480 4.120 0.183 0.000 0.314 1238 V C -1.166 175.170 176.094 0.404 0.000 1.117 1238 V CA -1.331 61.172 62.300 0.340 0.000 1.014 1238 V CB 2.066 34.077 31.823 0.313 0.000 1.057 1238 V HN 0.080 nan 8.190 nan 0.000 0.438 1239 H N 0.237 119.469 119.070 0.269 0.000 2.525 1239 H HA 0.359 5.025 4.556 0.183 0.000 0.339 1239 H C 0.826 176.304 175.328 0.250 0.000 1.109 1239 H CA 0.088 56.282 56.048 0.244 0.000 1.352 1239 H CB 1.583 31.439 29.762 0.157 0.000 1.461 1239 H HN 0.317 nan 8.280 nan 0.000 0.533 1240 V N 2.768 122.391 119.914 -0.485 0.000 2.357 1240 V HA -0.367 3.863 4.120 0.183 0.000 0.257 1240 V C 2.088 178.133 176.094 -0.082 0.000 1.082 1240 V CA 2.495 64.552 62.300 -0.406 0.000 1.078 1240 V CB -1.117 30.393 31.823 -0.521 0.000 0.663 1240 V HN 0.901 nan 8.190 nan 0.000 0.455 1241 S N -1.024 114.675 115.700 -0.001 0.000 2.603 1241 S HA 0.043 4.623 4.470 0.183 0.000 0.220 1241 S C 1.153 175.857 174.600 0.175 0.000 0.967 1241 S CA 0.504 58.792 58.200 0.147 0.000 0.920 1241 S CB -0.166 63.199 63.200 0.274 0.000 0.773 1241 S HN 0.779 nan 8.310 nan 0.000 0.529 1242 E N 0.635 120.965 120.200 0.217 0.000 2.624 1242 E HA 0.276 4.736 4.350 0.183 0.000 0.210 1242 E C -1.104 175.614 176.600 0.196 0.000 0.997 1242 E CA -0.126 56.391 56.400 0.195 0.000 0.999 1242 E CB 1.299 31.123 29.700 0.207 0.000 1.040 1242 E HN 0.262 nan 8.360 nan 0.000 0.469 1243 V N 1.043 121.091 119.914 0.224 0.000 2.409 1243 V HA 0.551 4.781 4.120 0.183 0.000 0.291 1243 V C 0.402 176.607 176.094 0.185 0.000 1.020 1243 V CA -0.669 61.762 62.300 0.219 0.000 0.848 1243 V CB 1.518 33.510 31.823 0.281 0.000 0.990 1243 V HN 0.216 nan 8.190 nan 0.000 0.430 1244 G N 2.834 111.725 108.800 0.150 0.000 2.644 1244 G HA2 0.515 4.584 3.960 0.183 0.000 0.307 1244 G HA3 0.515 4.584 3.960 0.183 0.000 0.307 1244 G C -1.048 173.930 174.900 0.131 0.000 1.250 1244 G CA -0.586 44.589 45.100 0.126 0.000 0.996 1244 G HN 0.494 nan 8.290 nan 0.000 0.489 1245 N N -0.454 118.317 118.700 0.119 0.000 2.540 1245 N HA 0.233 5.083 4.740 0.183 0.000 0.275 1245 N C -0.476 175.100 175.510 0.109 0.000 1.053 1245 N CA -0.449 52.679 53.050 0.130 0.000 0.876 1245 N CB 1.538 40.116 38.487 0.153 0.000 1.284 1245 N HN 0.283 nan 8.380 nan 0.000 0.518 1246 C N 1.325 120.684 119.300 0.099 0.000 2.760 1246 C HA 0.223 4.793 4.460 0.183 0.000 0.293 1246 C C 1.118 176.157 174.990 0.081 0.000 1.383 1246 C CA -0.549 58.514 59.018 0.075 0.000 1.771 1246 C CB -1.862 25.907 27.740 0.048 0.000 2.353 1246 C HN 0.693 nan 8.230 nan 0.000 0.578 1247 S N 0.777 116.561 115.700 0.139 0.000 2.568 1247 S HA 0.571 5.151 4.470 0.183 0.000 0.282 1247 S C 0.123 174.771 174.600 0.080 0.000 1.338 1247 S CA 0.325 58.630 58.200 0.175 0.000 1.045 1247 S CB 1.229 64.676 63.200 0.412 0.000 0.873 1247 S HN 0.652 nan 8.310 nan 0.000 0.516 1248 G N -0.126 108.561 108.800 -0.189 0.000 2.695 1248 G HA2 0.619 4.688 3.960 0.183 0.000 0.290 1248 G HA3 0.619 4.688 3.960 0.183 0.000 0.290 1248 G C -1.332 173.156 174.900 -0.687 0.000 1.410 1248 G CA -0.728 44.195 45.100 -0.294 0.000 0.844 1248 G HN 0.909 nan 8.290 nan 0.000 0.478 1249 S N -1.914 113.549 115.700 -0.395 0.000 2.599 1249 S HA 0.666 5.246 4.470 0.183 0.000 0.287 1249 S C 1.170 175.695 174.600 -0.126 0.000 1.105 1249 S CA 0.341 58.349 58.200 -0.320 0.000 0.899 1249 S CB 1.516 64.659 63.200 -0.095 0.000 1.100 1249 S HN 1.166 nan 8.310 nan 0.000 0.482 1250 G N 2.005 110.757 108.800 -0.080 0.000 2.456 1250 G HA2 0.052 4.122 3.960 0.183 0.000 0.213 1250 G HA3 0.052 4.122 3.960 0.183 0.000 0.213 1250 G C 0.850 175.738 174.900 -0.021 0.000 1.215 1250 G CA 0.977 46.054 45.100 -0.038 0.000 0.805 1250 G HN 0.623 nan 8.290 nan 0.000 0.537 1251 M N -0.893 118.707 119.600 -0.001 0.000 3.160 1251 M HA 0.407 4.997 4.480 0.183 0.000 0.222 1251 M C 1.236 177.572 176.300 0.060 0.000 1.703 1251 M CA 0.558 55.863 55.300 0.008 0.000 1.354 1251 M CB -0.131 32.451 32.600 -0.029 0.000 1.115 1251 M HN 0.289 nan 8.290 nan 0.000 0.594 1252 G N 0.692 109.545 108.800 0.088 0.000 3.176 1252 G HA2 0.108 4.178 3.960 0.183 0.000 0.405 1252 G HA3 0.108 4.178 3.960 0.183 0.000 0.405 1252 G C 0.729 175.714 174.900 0.142 0.000 0.496 1252 G CA 0.435 45.626 45.100 0.153 0.000 1.094 1252 G HN 1.341 nan 8.290 nan 0.000 0.527 1253 G N -0.036 108.830 108.800 0.110 0.000 2.163 1253 G HA2 -0.086 3.983 3.960 0.183 0.000 0.213 1253 G HA3 -0.086 3.983 3.960 0.183 0.000 0.213 1253 G C 1.285 176.215 174.900 0.050 0.000 0.991 1253 G CA 0.732 45.880 45.100 0.078 0.000 0.653 1253 G HN 1.872 nan 8.290 nan 0.000 0.518 1254 V N 0.529 120.468 119.914 0.042 0.000 2.546 1254 V HA -0.182 4.047 4.120 0.183 0.000 0.254 1254 V C 2.640 178.732 176.094 -0.003 0.000 1.076 1254 V CA 2.795 65.097 62.300 0.003 0.000 1.087 1254 V CB -0.346 31.469 31.823 -0.015 0.000 0.674 1254 V HN 0.492 nan 8.190 nan 0.000 0.470 1255 S N -0.644 115.064 115.700 0.015 0.000 2.388 1255 S HA 0.062 4.642 4.470 0.183 0.000 0.223 1255 S C 2.176 176.784 174.600 0.014 0.000 1.034 1255 S CA 1.040 59.248 58.200 0.014 0.000 0.963 1255 S CB -0.154 63.057 63.200 0.019 0.000 0.827 1255 S HN 0.623 nan 8.310 nan 0.000 0.481 1256 A N 1.390 124.218 122.820 0.013 0.000 1.969 1256 A HA 0.093 4.523 4.320 0.183 0.000 0.218 1256 A C 2.049 179.652 177.584 0.032 0.000 1.169 1256 A CA 0.836 52.877 52.037 0.006 0.000 0.635 1256 A CB -0.652 18.340 19.000 -0.013 0.000 0.810 1256 A HN 0.502 nan 8.150 nan 0.000 0.445 1257 L N -0.761 120.499 121.223 0.062 0.000 2.042 1257 L HA -0.220 4.230 4.340 0.183 0.000 0.210 1257 L C 2.893 179.890 176.870 0.212 0.000 1.076 1257 L CA 1.904 56.837 54.840 0.155 0.000 0.749 1257 L CB -0.489 41.626 42.059 0.093 0.000 0.893 1257 L HN 0.517 nan 8.230 nan 0.000 0.432 1258 R N 0.346 120.900 120.500 0.091 0.000 2.075 1258 R HA -0.126 4.323 4.340 0.183 0.000 0.232 1258 R C 2.089 178.442 176.300 0.087 0.000 1.126 1258 R CA 1.542 57.687 56.100 0.075 0.000 0.963 1258 R CB -0.520 29.785 30.300 0.009 0.000 0.858 1258 R HN 0.374 nan 8.270 nan 0.000 0.435 1259 G N 1.030 109.861 108.800 0.051 0.000 2.479 1259 G HA2 -0.277 3.793 3.960 0.183 0.000 0.220 1259 G HA3 -0.277 3.793 3.960 0.183 0.000 0.220 1259 G C 1.419 176.329 174.900 0.017 0.000 1.115 1259 G CA 0.769 45.885 45.100 0.027 0.000 0.757 1259 G HN 0.407 nan 8.290 nan 0.000 0.560 1260 M N -1.620 117.995 119.600 0.026 0.000 2.394 1260 M HA 0.340 4.930 4.480 0.183 0.000 0.266 1260 M C 1.598 177.807 176.300 -0.151 0.000 1.098 1260 M CA 1.022 56.274 55.300 -0.080 0.000 1.149 1260 M CB 0.240 32.770 32.600 -0.117 0.000 1.369 1260 M HN 0.139 nan 8.290 nan 0.000 0.450 1261 F N -0.203 119.731 119.950 -0.028 0.000 2.678 1261 F HA 0.240 4.874 4.527 0.178 0.000 0.291 1261 F C 2.217 178.006 175.800 -0.020 0.000 1.123 1261 F CA 0.528 58.503 58.000 -0.042 0.000 1.395 1261 F CB 0.368 39.327 39.000 -0.068 0.000 1.121 1261 F HN 0.068 nan 8.300 nan 0.000 0.592 1262 K N -0.410 120.100 120.400 0.184 0.000 2.485 1262 K HA 0.063 4.493 4.320 0.183 0.000 0.200 1262 K C 1.094 177.774 176.600 0.133 0.000 1.344 1262 K CA 0.486 56.870 56.287 0.162 0.000 0.948 1262 K CB 0.101 32.657 32.500 0.092 0.000 1.454 1262 K HN -0.190 nan 8.250 nan 0.000 0.502 1263 D N 0.936 121.381 120.400 0.075 0.000 2.219 1263 D HA -0.064 4.686 4.640 0.183 0.000 0.205 1263 D C 1.764 178.078 176.300 0.023 0.000 0.970 1263 D CA 0.617 54.639 54.000 0.035 0.000 0.851 1263 D CB 0.162 40.973 40.800 0.018 0.000 0.943 1263 D HN 0.109 nan 8.370 nan 0.000 0.488 1264 R N -0.050 120.471 120.500 0.036 0.000 2.073 1264 R HA -0.026 4.424 4.340 0.183 0.000 0.229 1264 R C 2.037 178.373 176.300 0.059 0.000 1.120 1264 R CA 0.278 56.389 56.100 0.018 0.000 0.967 1264 R CB -0.920 29.374 30.300 -0.010 0.000 0.862 1264 R HN 0.234 nan 8.270 nan 0.000 0.436 1265 F N 2.288 122.205 119.950 -0.056 0.000 2.307 1265 F HA -0.147 4.502 4.527 0.203 0.000 0.301 1265 F C 1.281 177.046 175.800 -0.058 0.000 1.076 1265 F CA 1.423 59.388 58.000 -0.059 0.000 1.383 1265 F CB 0.099 39.067 39.000 -0.054 0.000 1.055 1265 F HN -0.103 nan 8.300 nan 0.000 0.526 1266 K N -0.403 119.907 120.400 -0.151 0.000 2.358 1266 K HA 0.008 4.438 4.320 0.183 0.000 0.197 1266 K C 0.408 176.918 176.600 -0.149 0.000 1.025 1266 K CA 0.610 56.763 56.287 -0.224 0.000 1.104 1266 K CB 0.194 32.620 32.500 -0.124 0.000 0.855 1266 K HN -0.003 nan 8.250 nan 0.000 0.531 1267 D N 2.161 122.495 120.400 -0.110 0.000 3.059 1267 D HA -0.166 4.584 4.640 0.183 0.000 0.220 1267 D C -0.770 175.494 176.300 -0.061 0.000 1.169 1267 D CA 0.860 54.809 54.000 -0.085 0.000 0.902 1267 D CB -0.987 39.749 40.800 -0.106 0.000 1.116 1267 D HN 0.358 nan 8.370 nan 0.000 0.417 1268 E N 0.291 120.462 120.200 -0.049 0.000 2.398 1268 E HA 0.248 4.708 4.350 0.183 0.000 0.263 1268 E C -2.181 174.402 176.600 -0.028 0.000 1.046 1268 E CA -1.229 55.152 56.400 -0.033 0.000 0.908 1268 E CB 0.412 30.099 29.700 -0.023 0.000 0.963 1268 E HN 0.166 nan 8.360 nan 0.000 0.431 1269 P HA 0.021 nan 4.420 nan 0.000 0.266 1269 P C -1.159 176.129 177.300 -0.019 0.000 1.215 1269 P CA 0.245 63.332 63.100 -0.021 0.000 0.763 1269 P CB 0.524 32.213 31.700 -0.018 0.000 0.806 1270 V N 4.106 124.007 119.914 -0.021 0.000 2.888 1270 V HA 0.179 4.408 4.120 0.183 0.000 0.309 1270 V C 0.130 176.210 176.094 -0.023 0.000 1.114 1270 V CA -0.859 61.429 62.300 -0.020 0.000 0.940 1270 V CB 2.147 33.958 31.823 -0.020 0.000 1.021 1270 V HN 0.486 nan 8.190 nan 0.000 0.426 1271 Q N 1.971 121.758 119.800 -0.021 0.000 2.539 1271 Q HA -0.000 4.450 4.340 0.183 0.000 0.268 1271 Q C 0.299 176.284 176.000 -0.025 0.000 1.109 1271 Q CA 0.451 56.242 55.803 -0.019 0.000 0.968 1271 Q CB 0.539 29.268 28.738 -0.015 0.000 1.309 1271 Q HN 0.705 nan 8.270 nan 0.000 0.497 1272 N N 0.365 119.053 118.700 -0.019 0.000 2.422 1272 N HA -0.068 4.782 4.740 0.183 0.000 0.181 1272 N C -0.695 174.799 175.510 -0.028 0.000 1.080 1272 N CA 0.768 53.804 53.050 -0.023 0.000 0.893 1272 N CB 0.382 38.861 38.487 -0.015 0.000 0.973 1272 N HN 0.519 nan 8.380 nan 0.000 0.456 1273 D N -0.187 120.200 120.400 -0.022 0.000 2.957 1273 D HA 0.098 4.848 4.640 0.183 0.000 0.352 1273 D C 0.730 176.998 176.300 -0.054 0.000 1.352 1273 D CA -0.354 53.626 54.000 -0.034 0.000 0.831 1273 D CB -0.732 40.068 40.800 -0.001 0.000 1.147 1273 D HN 0.262 nan 8.370 nan 0.000 0.467 1274 I N -2.180 118.350 120.570 -0.067 0.000 2.614 1274 I HA -0.108 4.172 4.170 0.183 0.000 0.258 1274 I C 1.954 177.975 176.117 -0.159 0.000 1.189 1274 I CA 0.252 61.505 61.300 -0.079 0.000 1.462 1274 I CB -0.261 37.703 38.000 -0.059 0.000 1.092 1274 I HN 0.080 nan 8.210 nan 0.000 0.442 1275 L N 0.977 122.074 121.223 -0.209 0.000 2.017 1275 L HA -0.228 4.222 4.340 0.183 0.000 0.208 1275 L C 2.661 179.070 176.870 -0.768 0.000 1.073 1275 L CA 1.900 56.506 54.840 -0.390 0.000 0.745 1275 L CB -0.759 41.142 42.059 -0.262 0.000 0.894 1275 L HN 0.288 nan 8.230 nan 0.000 0.432 1276 Q N -0.508 119.010 119.800 -0.469 0.000 2.028 1276 Q HA -0.272 4.178 4.340 0.183 0.000 0.213 1276 Q C 1.840 177.647 176.000 -0.322 0.000 1.017 1276 Q CA 2.317 57.902 55.803 -0.364 0.000 0.875 1276 Q CB -0.296 28.405 28.738 -0.062 0.000 0.962 1276 Q HN 0.564 nan 8.270 nan 0.000 0.413 1277 E N -0.188 119.934 120.200 -0.131 0.000 2.482 1277 E HA -0.070 4.390 4.350 0.183 0.000 0.196 1277 E C 1.901 178.493 176.600 -0.014 0.000 1.047 1277 E CA 0.915 57.326 56.400 0.019 0.000 0.869 1277 E CB 0.061 29.800 29.700 0.064 0.000 0.836 1277 E HN 0.371 nan 8.360 nan 0.000 0.520 1278 S N 0.093 115.709 115.700 -0.140 0.000 2.425 1278 S HA -0.026 4.554 4.470 0.183 0.000 0.225 1278 S C 0.826 175.492 174.600 0.110 0.000 1.024 1278 S CA -0.234 57.947 58.200 -0.032 0.000 0.951 1278 S CB -0.388 62.782 63.200 -0.049 0.000 0.796 1278 S HN -0.048 nan 8.310 nan 0.000 0.498 1279 F N 2.015 122.010 119.950 0.075 0.000 2.607 1279 F HA 0.247 4.885 4.527 0.184 0.000 0.374 1279 F C 1.524 177.378 175.800 0.091 0.000 1.104 1279 F CA -1.462 56.578 58.000 0.066 0.000 1.296 1279 F CB -0.260 38.766 39.000 0.044 0.000 1.085 1279 F HN 0.051 nan 8.300 nan 0.000 0.584 1280 I N 2.250 122.992 120.570 0.286 0.000 2.567 1280 I HA -0.274 4.006 4.170 0.183 0.000 0.257 1280 I C 1.849 178.111 176.117 0.241 0.000 1.184 1280 I CA 1.093 62.524 61.300 0.218 0.000 1.451 1280 I CB -0.158 37.916 38.000 0.123 0.000 1.089 1280 I HN 0.618 nan 8.210 nan 0.000 0.441 1281 N N -0.543 118.279 118.700 0.204 0.000 2.203 1281 N HA -0.046 4.804 4.740 0.183 0.000 0.207 1281 N C 1.322 176.924 175.510 0.154 0.000 1.130 1281 N CA 0.860 54.009 53.050 0.165 0.000 0.861 1281 N CB -0.133 38.401 38.487 0.078 0.000 1.005 1281 N HN 0.245 nan 8.380 nan 0.000 0.507 1282 T N -2.320 112.348 114.554 0.190 0.000 3.081 1282 T HA 0.149 4.609 4.350 0.183 0.000 0.255 1282 T C 1.677 176.461 174.700 0.139 0.000 1.113 1282 T CA 0.015 62.170 62.100 0.092 0.000 1.082 1282 T CB -0.038 68.882 68.868 0.087 0.000 0.939 1282 T HN -0.122 nan 8.240 nan 0.000 0.506 1283 M N 2.004 121.726 119.600 0.203 0.000 2.077 1283 M HA 0.066 4.656 4.480 0.183 0.000 0.261 1283 M C 2.655 179.046 176.300 0.150 0.000 1.070 1283 M CA 1.568 56.957 55.300 0.149 0.000 1.125 1283 M CB -0.577 31.966 32.600 -0.093 0.000 1.339 1283 M HN 0.225 nan 8.290 nan 0.000 0.409 1284 S N 0.360 116.165 115.700 0.175 0.000 2.399 1284 S HA -0.071 4.508 4.470 0.183 0.000 0.231 1284 S C 2.108 176.789 174.600 0.136 0.000 1.022 1284 S CA 1.112 59.418 58.200 0.176 0.000 0.983 1284 S CB -0.660 62.655 63.200 0.191 0.000 0.803 1284 S HN 0.548 nan 8.310 nan 0.000 0.480 1285 A N 0.950 123.810 122.820 0.068 0.000 1.873 1285 A HA -0.057 4.373 4.320 0.183 0.000 0.215 1285 A C 1.845 179.416 177.584 -0.021 0.000 1.186 1285 A CA 1.022 53.035 52.037 -0.040 0.000 0.616 1285 A CB -1.087 17.802 19.000 -0.185 0.000 0.823 1285 A HN 0.671 nan 8.150 nan 0.000 0.442 1286 W N -0.205 121.154 121.300 0.098 0.000 2.363 1286 W HA -0.120 4.650 4.660 0.182 0.000 0.296 1286 W C 2.217 178.818 176.519 0.137 0.000 1.212 1286 W CA 0.918 58.324 57.345 0.102 0.000 1.260 1286 W CB -0.343 29.160 29.460 0.072 0.000 1.131 1286 W HN 0.136 nan 8.180 nan 0.000 0.530 1287 V N 0.510 120.637 119.914 0.355 0.000 2.255 1287 V HA -0.374 3.856 4.120 0.183 0.000 0.247 1287 V C 1.838 178.093 176.094 0.269 0.000 1.051 1287 V CA 2.407 64.889 62.300 0.303 0.000 1.018 1287 V CB -1.093 30.884 31.823 0.257 0.000 0.641 1287 V HN 0.248 nan 8.190 nan 0.000 0.445 1288 N N -0.742 118.091 118.700 0.223 0.000 2.331 1288 N HA -0.072 4.778 4.740 0.183 0.000 0.180 1288 N C 1.677 177.303 175.510 0.193 0.000 1.019 1288 N CA 1.134 54.303 53.050 0.199 0.000 0.881 1288 N CB -0.110 38.470 38.487 0.155 0.000 0.972 1288 N HN 0.450 nan 8.380 nan 0.000 0.435 1289 M N -0.951 118.770 119.600 0.201 0.000 2.476 1289 M HA 0.097 4.687 4.480 0.183 0.000 0.262 1289 M C 1.122 177.573 176.300 0.252 0.000 1.111 1289 M CA 0.683 56.103 55.300 0.200 0.000 1.127 1289 M CB 0.350 33.045 32.600 0.160 0.000 1.376 1289 M HN 0.138 nan 8.290 nan 0.000 0.465 1290 L N -1.227 120.172 121.223 0.294 0.000 2.537 1290 L HA 0.145 4.595 4.340 0.183 0.000 0.224 1290 L C 1.685 178.626 176.870 0.119 0.000 1.065 1290 L CA 0.242 55.239 54.840 0.261 0.000 0.860 1290 L CB 0.310 42.621 42.059 0.420 0.000 1.086 1290 L HN 0.258 nan 8.230 nan 0.000 0.482 1291 L N -1.665 119.643 121.223 0.141 0.000 2.638 1291 L HA 0.190 4.640 4.340 0.183 0.000 0.195 1291 L C 1.936 178.867 176.870 0.103 0.000 1.065 1291 L CA 0.239 55.099 54.840 0.034 0.000 0.859 1291 L CB 0.318 42.415 42.059 0.063 0.000 1.269 1291 L HN 0.011 nan 8.230 nan 0.000 0.484 1292 I N -1.377 119.311 120.570 0.196 0.000 2.810 1292 I HA 0.009 4.288 4.170 0.183 0.000 0.262 1292 I C 1.374 177.716 176.117 0.376 0.000 1.131 1292 I CA 0.436 61.886 61.300 0.250 0.000 1.453 1292 I CB 0.393 38.537 38.000 0.240 0.000 1.161 1292 I HN 0.259 nan 8.210 nan 0.000 0.444 1293 S N 1.267 117.143 115.700 0.293 0.000 3.490 1293 S HA -0.145 4.435 4.470 0.183 0.000 0.301 1293 S C 0.666 175.391 174.600 0.209 0.000 1.233 1293 S CA 0.516 58.846 58.200 0.217 0.000 0.914 1293 S CB -1.296 61.989 63.200 0.142 0.000 1.047 1293 S HN 0.683 nan 8.310 nan 0.000 0.602 1294 S N 0.129 115.991 115.700 0.269 0.000 2.617 1294 S HA 0.676 5.256 4.470 0.183 0.000 0.269 1294 S C 0.611 175.282 174.600 0.119 0.000 1.292 1294 S CA 0.237 58.586 58.200 0.247 0.000 1.010 1294 S CB 1.802 65.180 63.200 0.296 0.000 0.944 1294 S HN 0.455 nan 8.310 nan 0.000 0.536 1295 S N 1.532 117.259 115.700 0.045 0.000 2.651 1295 S HA 0.394 4.973 4.470 0.183 0.000 0.246 1295 S C 0.898 175.484 174.600 -0.023 0.000 1.039 1295 S CA -0.430 57.727 58.200 -0.071 0.000 1.013 1295 S CB -0.016 63.006 63.200 -0.297 0.000 0.861 1295 S HN 0.967 nan 8.310 nan 0.000 0.485 1296 G N 2.680 111.516 108.800 0.059 0.000 2.489 1296 G HA2 0.453 4.522 3.960 0.183 0.000 0.271 1296 G HA3 0.453 4.522 3.960 0.183 0.000 0.271 1296 G C -2.837 172.094 174.900 0.052 0.000 1.427 1296 G CA -1.238 43.909 45.100 0.078 0.000 1.057 1296 G HN 0.183 nan 8.290 nan 0.000 0.532 1297 P HA 0.327 nan 4.420 nan 0.000 0.274 1297 P C -0.638 176.691 177.300 0.049 0.000 1.237 1297 P CA -0.222 62.903 63.100 0.041 0.000 0.793 1297 P CB 1.235 32.961 31.700 0.042 0.000 0.977 1298 I N 0.626 121.216 120.570 0.035 0.000 2.796 1298 I HA 0.243 4.523 4.170 0.183 0.000 0.277 1298 I C -1.024 175.112 176.117 0.030 0.000 1.331 1298 I CA -0.556 60.769 61.300 0.042 0.000 0.983 1298 I CB 0.067 38.091 38.000 0.039 0.000 1.410 1298 I HN 0.070 nan 8.210 nan 0.000 0.561 1299 K N 3.930 124.349 120.400 0.032 0.000 2.253 1299 K HA 0.583 5.013 4.320 0.183 0.000 0.277 1299 K C -0.485 176.131 176.600 0.026 0.000 1.053 1299 K CA -0.446 55.853 56.287 0.019 0.000 0.892 1299 K CB 1.225 33.732 32.500 0.012 0.000 1.102 1299 K HN 0.328 nan 8.250 nan 0.000 0.469 1300 T N 4.865 119.430 114.554 0.020 0.000 2.770 1300 T HA 0.324 4.784 4.350 0.183 0.000 0.283 1300 T C -2.401 172.299 174.700 -0.000 0.000 0.988 1300 T CA -1.673 60.442 62.100 0.026 0.000 0.957 1300 T CB 1.115 70.012 68.868 0.048 0.000 0.930 1300 T HN 0.306 nan 8.240 nan 0.000 0.443 1301 P HA 0.446 nan 4.420 nan 0.000 0.292 1301 P C -1.057 176.215 177.300 -0.047 0.000 1.287 1301 P CA -0.593 62.487 63.100 -0.033 0.000 0.800 1301 P CB 0.830 32.505 31.700 -0.042 0.000 0.945 1302 V N 3.040 122.932 119.914 -0.036 0.000 2.311 1302 V HA 0.490 4.720 4.120 0.183 0.000 0.275 1302 V C 1.180 177.258 176.094 -0.028 0.000 1.022 1302 V CA 0.009 62.288 62.300 -0.035 0.000 0.830 1302 V CB 0.932 32.743 31.823 -0.021 0.000 1.012 1302 V HN 0.838 nan 8.190 nan 0.000 0.452 1303 G N 2.637 111.418 108.800 -0.032 0.000 3.519 1303 G HA2 0.543 4.613 3.960 0.183 0.000 0.269 1303 G HA3 0.543 4.613 3.960 0.183 0.000 0.269 1303 G C 0.740 175.651 174.900 0.018 0.000 1.028 1303 G CA 0.844 45.933 45.100 -0.018 0.000 0.809 1303 G HN 1.186 nan 8.290 nan 0.000 0.521 1304 A N -0.359 122.475 122.820 0.023 0.000 5.391 1304 A HA -0.346 4.083 4.320 0.183 0.000 0.315 1304 A C 1.934 179.574 177.584 0.094 0.000 1.874 1304 A CA 1.453 53.530 52.037 0.067 0.000 0.714 1304 A CB -1.606 17.486 19.000 0.154 0.000 1.335 1304 A HN 0.900 nan 8.150 nan 0.000 0.382 1305 C N 0.448 119.872 119.300 0.208 0.000 2.503 1305 C HA 0.437 5.007 4.460 0.183 0.000 0.285 1305 C C 1.930 177.033 174.990 0.189 0.000 1.473 1305 C CA 1.021 60.200 59.018 0.267 0.000 1.708 1305 C CB -1.910 26.112 27.740 0.471 0.000 1.638 1305 C HN 1.721 nan 8.230 nan 0.000 0.585 1306 A N -0.145 122.711 122.820 0.059 0.000 2.569 1306 A HA 0.225 4.655 4.320 0.183 0.000 0.284 1306 A C 1.665 179.220 177.584 -0.048 0.000 0.948 1306 A CA 0.667 52.683 52.037 -0.034 0.000 1.007 1306 A CB -0.589 18.337 19.000 -0.124 0.000 1.232 1306 A HN 0.444 nan 8.150 nan 0.000 0.530 1307 T N -2.441 112.089 114.554 -0.039 0.000 2.929 1307 T HA -0.117 4.343 4.350 0.183 0.000 0.271 1307 T C 1.818 176.473 174.700 -0.075 0.000 1.085 1307 T CA 2.412 64.472 62.100 -0.067 0.000 1.125 1307 T CB -0.244 68.564 68.868 -0.100 0.000 0.874 1307 T HN 0.204 nan 8.240 nan 0.000 0.494 1308 S N -0.480 115.181 115.700 -0.065 0.000 2.414 1308 S HA 0.071 4.651 4.470 0.183 0.000 0.227 1308 S C 1.904 176.480 174.600 -0.040 0.000 1.022 1308 S CA 0.784 58.953 58.200 -0.052 0.000 0.958 1308 S CB -0.304 62.872 63.200 -0.040 0.000 0.797 1308 S HN 0.455 nan 8.310 nan 0.000 0.493 1309 V N 1.527 121.409 119.914 -0.055 0.000 2.379 1309 V HA -0.057 4.173 4.120 0.183 0.000 0.243 1309 V C 2.366 178.420 176.094 -0.067 0.000 1.035 1309 V CA 1.808 64.069 62.300 -0.066 0.000 1.035 1309 V CB -0.594 31.170 31.823 -0.099 0.000 0.673 1309 V HN 0.601 nan 8.190 nan 0.000 0.457 1310 E N 0.330 120.485 120.200 -0.074 0.000 2.171 1310 E HA -0.304 4.156 4.350 0.183 0.000 0.197 1310 E C 2.270 178.842 176.600 -0.046 0.000 0.997 1310 E CA 1.819 58.181 56.400 -0.065 0.000 0.810 1310 E CB -0.284 29.377 29.700 -0.064 0.000 0.738 1310 E HN 0.526 nan 8.360 nan 0.000 0.467 1311 S N -0.619 115.056 115.700 -0.042 0.000 2.368 1311 S HA -0.115 4.465 4.470 0.183 0.000 0.225 1311 S C 2.004 176.597 174.600 -0.012 0.000 1.030 1311 S CA 1.252 59.438 58.200 -0.024 0.000 0.999 1311 S CB -0.227 62.960 63.200 -0.022 0.000 0.844 1311 S HN 0.275 nan 8.310 nan 0.000 0.459 1312 V N 2.377 122.280 119.914 -0.018 0.000 2.343 1312 V HA -0.136 4.094 4.120 0.183 0.000 0.247 1312 V C 2.536 178.619 176.094 -0.018 0.000 1.051 1312 V CA 2.156 64.448 62.300 -0.014 0.000 1.036 1312 V CB -0.844 30.965 31.823 -0.023 0.000 0.654 1312 V HN 0.592 nan 8.190 nan 0.000 0.451 1313 D N 0.567 120.949 120.400 -0.030 0.000 2.108 1313 D HA -0.211 4.538 4.640 0.183 0.000 0.190 1313 D C 2.022 178.310 176.300 -0.020 0.000 0.995 1313 D CA 2.065 56.046 54.000 -0.031 0.000 0.834 1313 D CB -0.285 40.489 40.800 -0.044 0.000 0.967 1313 D HN 0.414 nan 8.370 nan 0.000 0.446 1314 I N 0.706 121.264 120.570 -0.019 0.000 2.236 1314 I HA -0.249 4.030 4.170 0.183 0.000 0.249 1314 I C 2.569 178.687 176.117 0.002 0.000 1.102 1314 I CA 1.499 62.793 61.300 -0.010 0.000 1.365 1314 I CB -0.547 37.447 38.000 -0.009 0.000 1.051 1314 I HN 0.134 nan 8.210 nan 0.000 0.420 1315 G N 0.303 109.107 108.800 0.007 0.000 2.453 1315 G HA2 -0.193 3.877 3.960 0.183 0.000 0.215 1315 G HA3 -0.193 3.877 3.960 0.183 0.000 0.215 1315 G C 1.705 176.614 174.900 0.015 0.000 1.201 1315 G CA 0.892 46.003 45.100 0.018 0.000 0.784 1315 G HN 0.229 nan 8.290 nan 0.000 0.545 1316 V N 0.900 120.818 119.914 0.007 0.000 2.278 1316 V HA -0.207 4.023 4.120 0.183 0.000 0.251 1316 V C 2.925 179.022 176.094 0.005 0.000 1.062 1316 V CA 2.321 64.625 62.300 0.007 0.000 1.038 1316 V CB -0.359 31.464 31.823 0.001 0.000 0.646 1316 V HN 0.301 nan 8.190 nan 0.000 0.447 1317 E N -0.098 120.101 120.200 -0.001 0.000 2.072 1317 E HA -0.143 4.317 4.350 0.183 0.000 0.191 1317 E C 2.341 178.942 176.600 0.002 0.000 0.985 1317 E CA 1.719 58.116 56.400 -0.005 0.000 0.801 1317 E CB -0.729 28.963 29.700 -0.012 0.000 0.750 1317 E HN 0.641 nan 8.360 nan 0.000 0.452 1318 T N 1.453 116.013 114.554 0.010 0.000 2.881 1318 T HA -0.041 4.419 4.350 0.183 0.000 0.270 1318 T C 2.017 176.733 174.700 0.027 0.000 1.068 1318 T CA 0.757 62.869 62.100 0.019 0.000 1.131 1318 T CB -0.061 68.824 68.868 0.027 0.000 0.871 1318 T HN 0.138 nan 8.240 nan 0.000 0.479 1319 I N 0.350 120.937 120.570 0.027 0.000 2.480 1319 I HA 0.043 4.322 4.170 0.183 0.000 0.251 1319 I C 1.884 178.016 176.117 0.025 0.000 1.124 1319 I CA 0.925 62.245 61.300 0.033 0.000 1.444 1319 I CB -0.267 37.754 38.000 0.035 0.000 1.098 1319 I HN 0.181 nan 8.210 nan 0.000 0.428 1320 L N 0.695 121.926 121.223 0.014 0.000 2.610 1320 L HA -0.036 4.414 4.340 0.183 0.000 0.232 1320 L C 2.016 178.885 176.870 -0.002 0.000 1.149 1320 L CA 0.639 55.481 54.840 0.003 0.000 0.872 1320 L CB -0.283 41.772 42.059 -0.006 0.000 0.992 1320 L HN 0.327 nan 8.230 nan 0.000 0.447 1321 S N -2.356 113.346 115.700 0.004 0.000 2.559 1321 S HA 0.258 4.838 4.470 0.183 0.000 0.226 1321 S C 1.438 176.044 174.600 0.009 0.000 1.000 1321 S CA 0.301 58.501 58.200 0.000 0.000 0.948 1321 S CB 0.992 64.192 63.200 -0.001 0.000 0.870 1321 S HN 0.418 nan 8.310 nan 0.000 0.497 1322 G N 2.071 110.882 108.800 0.020 0.000 2.179 1322 G HA2 -0.321 3.748 3.960 0.183 0.000 0.260 1322 G HA3 -0.321 3.748 3.960 0.183 0.000 0.260 1322 G C 0.834 175.759 174.900 0.041 0.000 0.977 1322 G CA 0.533 45.651 45.100 0.030 0.000 0.641 1322 G HN 0.528 nan 8.290 nan 0.000 0.533 1323 K N 0.218 120.640 120.400 0.036 0.000 2.211 1323 K HA 0.403 4.833 4.320 0.183 0.000 0.203 1323 K C 1.213 177.852 176.600 0.065 0.000 1.050 1323 K CA 1.243 57.556 56.287 0.043 0.000 0.945 1323 K CB 0.062 32.581 32.500 0.031 0.000 0.732 1323 K HN 0.868 nan 8.250 nan 0.000 0.451 1324 A N 0.099 122.960 122.820 0.068 0.000 2.572 1324 A HA 0.498 4.928 4.320 0.183 0.000 0.295 1324 A C -0.160 177.475 177.584 0.085 0.000 1.072 1324 A CA -0.755 51.336 52.037 0.089 0.000 0.691 1324 A CB 1.536 20.588 19.000 0.086 0.000 1.291 1324 A HN 0.035 nan 8.150 nan 0.000 0.404 1325 R N -0.109 120.453 120.500 0.103 0.000 2.316 1325 R HA 0.378 4.828 4.340 0.183 0.000 0.201 1325 R C -0.480 175.871 176.300 0.084 0.000 0.888 1325 R CA 0.622 56.777 56.100 0.092 0.000 1.041 1325 R CB 0.436 30.801 30.300 0.109 0.000 1.115 1325 R HN 0.689 nan 8.270 nan 0.000 0.559 1326 I N 0.935 121.566 120.570 0.101 0.000 2.533 1326 I HA 0.302 4.582 4.170 0.183 0.000 0.290 1326 I C -0.402 175.773 176.117 0.098 0.000 1.056 1326 I CA -1.061 60.292 61.300 0.089 0.000 1.057 1326 I CB 2.226 40.290 38.000 0.106 0.000 1.240 1326 I HN 0.070 nan 8.210 nan 0.000 0.423 1327 C N 5.638 124.982 119.300 0.073 0.000 3.173 1327 C HA 0.657 5.227 4.460 0.183 0.000 0.310 1327 C C -0.772 174.251 174.990 0.055 0.000 1.306 1327 C CA -0.828 58.239 59.018 0.082 0.000 1.426 1327 C CB 1.272 29.062 27.740 0.083 0.000 1.800 1327 C HN 0.705 nan 8.230 nan 0.000 0.470 1328 I N 2.826 123.443 120.570 0.078 0.000 2.365 1328 I HA 0.584 4.864 4.170 0.183 0.000 0.291 1328 I C -0.182 175.984 176.117 0.081 0.000 1.004 1328 I CA -0.255 61.083 61.300 0.063 0.000 1.311 1328 I CB 1.315 39.383 38.000 0.114 0.000 1.401 1328 I HN 0.546 nan 8.210 nan 0.000 0.491 1329 V N 4.513 124.468 119.914 0.068 0.000 2.914 1329 V HA 0.977 5.207 4.120 0.183 0.000 0.314 1329 V C 0.294 176.445 176.094 0.095 0.000 1.084 1329 V CA -0.235 62.107 62.300 0.070 0.000 0.963 1329 V CB 1.928 33.774 31.823 0.039 0.000 1.025 1329 V HN 1.093 nan 8.190 nan 0.000 0.432 1330 G N 1.705 110.559 108.800 0.090 0.000 2.356 1330 G HA2 0.569 4.639 3.960 0.183 0.000 0.288 1330 G HA3 0.569 4.639 3.960 0.183 0.000 0.288 1330 G C -0.670 174.254 174.900 0.040 0.000 1.302 1330 G CA 0.118 45.282 45.100 0.106 0.000 0.887 1330 G HN 1.300 nan 8.290 nan 0.000 0.521 1331 G N -1.515 107.307 108.800 0.038 0.000 2.690 1331 G HA2 0.994 5.064 3.960 0.183 0.000 0.291 1331 G HA3 0.994 5.064 3.960 0.183 0.000 0.291 1331 G C -1.405 173.485 174.900 -0.016 0.000 1.403 1331 G CA -0.056 44.941 45.100 -0.171 0.000 0.864 1331 G HN 1.825 nan 8.290 nan 0.000 0.480 1332 Y N -1.440 118.882 120.300 0.037 0.000 2.604 1332 Y HA 0.811 5.470 4.550 0.183 0.000 0.331 1332 Y C -1.340 174.603 175.900 0.072 0.000 1.158 1332 Y CA -1.463 56.681 58.100 0.074 0.000 1.056 1332 Y CB 1.968 40.525 38.460 0.161 0.000 1.330 1332 Y HN 0.524 nan 8.280 nan 0.000 0.457 1333 D N 0.317 120.881 120.400 0.274 0.000 2.683 1333 D HA 0.274 5.024 4.640 0.183 0.000 0.246 1333 D C -1.978 174.495 176.300 0.288 0.000 1.238 1333 D CA -0.325 53.802 54.000 0.212 0.000 0.759 1333 D CB 2.976 43.820 40.800 0.074 0.000 1.349 1333 D HN 0.670 nan 8.370 nan 0.000 0.426 1334 D N -0.334 120.231 120.400 0.274 0.000 2.414 1334 D HA 0.550 5.300 4.640 0.183 0.000 0.241 1334 D C -1.281 175.210 176.300 0.318 0.000 1.008 1334 D CA -0.484 53.736 54.000 0.367 0.000 1.001 1334 D CB 1.435 42.427 40.800 0.320 0.000 1.277 1334 D HN 0.168 nan 8.370 nan 0.000 0.538 1335 F N 1.803 121.882 119.950 0.215 0.000 2.449 1335 F HA 0.448 5.086 4.527 0.185 0.000 0.342 1335 F C -0.689 175.096 175.800 -0.025 0.000 1.127 1335 F CA -0.302 57.742 58.000 0.074 0.000 0.975 1335 F CB 0.919 39.938 39.000 0.032 0.000 1.146 1335 F HN 0.058 nan 8.300 nan 0.000 0.444 1336 Q N 3.791 123.191 119.800 -0.666 0.000 2.605 1336 Q HA 0.153 4.603 4.340 0.183 0.000 0.296 1336 Q C 0.637 176.079 176.000 -0.930 0.000 1.056 1336 Q CA -0.579 54.879 55.803 -0.574 0.000 0.778 1336 Q CB 1.718 30.329 28.738 -0.212 0.000 1.497 1336 Q HN 0.875 nan 8.270 nan 0.000 0.443 1337 E N 0.776 120.485 120.200 -0.818 0.000 2.051 1337 E HA -0.208 4.252 4.350 0.183 0.000 0.192 1337 E C 0.978 177.125 176.600 -0.754 0.000 0.991 1337 E CA 1.747 57.414 56.400 -1.222 0.000 0.799 1337 E CB 0.348 29.519 29.700 -0.883 0.000 0.748 1337 E HN 0.548 nan 8.360 nan 0.000 0.449 1338 E N -0.041 119.877 120.200 -0.470 0.000 2.152 1338 E HA -0.092 4.368 4.350 0.183 0.000 0.192 1338 E C 2.198 178.634 176.600 -0.274 0.000 0.983 1338 E CA 0.910 57.127 56.400 -0.306 0.000 0.818 1338 E CB -0.516 29.036 29.700 -0.246 0.000 0.758 1338 E HN 0.380 nan 8.360 nan 0.000 0.467 1339 G N 1.806 110.406 108.800 -0.333 0.000 2.514 1339 G HA2 -0.360 3.710 3.960 0.183 0.000 0.217 1339 G HA3 -0.360 3.710 3.960 0.183 0.000 0.217 1339 G C 1.781 176.577 174.900 -0.173 0.000 1.198 1339 G CA 1.396 46.321 45.100 -0.293 0.000 0.780 1339 G HN 0.396 nan 8.290 nan 0.000 0.565 1340 S N -0.586 114.988 115.700 -0.211 0.000 2.399 1340 S HA -0.083 4.497 4.470 0.183 0.000 0.231 1340 S C 2.027 176.802 174.600 0.291 0.000 1.022 1340 S CA 1.316 59.583 58.200 0.111 0.000 0.983 1340 S CB -0.366 62.892 63.200 0.096 0.000 0.803 1340 S HN 0.331 nan 8.310 nan 0.000 0.480 1341 F N 2.136 122.004 119.950 -0.136 0.000 2.113 1341 F HA 0.087 4.727 4.527 0.189 0.000 0.297 1341 F C 2.228 177.934 175.800 -0.157 0.000 1.103 1341 F CA 1.748 59.523 58.000 -0.375 0.000 1.248 1341 F CB -0.537 38.086 39.000 -0.627 0.000 0.999 1341 F HN 0.169 nan 8.300 nan 0.000 0.475 1342 E N -0.422 119.649 120.200 -0.215 0.000 2.150 1342 E HA -0.129 4.331 4.350 0.183 0.000 0.193 1342 E C 2.041 178.514 176.600 -0.212 0.000 0.985 1342 E CA 1.055 57.270 56.400 -0.308 0.000 0.814 1342 E CB -0.496 29.008 29.700 -0.326 0.000 0.752 1342 E HN 0.371 nan 8.360 nan 0.000 0.466 1343 F N -0.335 119.585 119.950 -0.050 0.000 2.186 1343 F HA 0.038 4.676 4.527 0.184 0.000 0.299 1343 F C 2.286 178.087 175.800 0.002 0.000 1.090 1343 F CA 1.329 59.341 58.000 0.019 0.000 1.307 1343 F CB -0.884 38.150 39.000 0.058 0.000 1.019 1343 F HN 0.139 nan 8.300 nan 0.000 0.489 1344 G N -0.560 108.373 108.800 0.221 0.000 2.422 1344 G HA2 -0.245 3.825 3.960 0.183 0.000 0.218 1344 G HA3 -0.245 3.825 3.960 0.183 0.000 0.218 1344 G C 1.607 176.521 174.900 0.023 0.000 1.140 1344 G CA 0.738 45.941 45.100 0.171 0.000 0.775 1344 G HN 0.236 nan 8.290 nan 0.000 0.545 1345 N N 0.257 118.875 118.700 -0.137 0.000 2.331 1345 N HA 0.044 4.894 4.740 0.183 0.000 0.180 1345 N C 2.048 177.526 175.510 -0.054 0.000 1.019 1345 N CA 0.539 53.477 53.050 -0.185 0.000 0.881 1345 N CB -0.163 38.117 38.487 -0.344 0.000 0.972 1345 N HN 0.305 nan 8.380 nan 0.000 0.435 1346 M N 0.108 119.722 119.600 0.024 0.000 2.561 1346 M HA 0.088 4.678 4.480 0.183 0.000 0.238 1346 M C 0.439 176.808 176.300 0.115 0.000 1.131 1346 M CA 0.262 55.623 55.300 0.102 0.000 1.046 1346 M CB 0.193 32.925 32.600 0.220 0.000 1.532 1346 M HN -0.055 nan 8.290 nan 0.000 0.497 1347 K N 0.206 120.652 120.400 0.076 0.000 3.160 1347 K HA -0.222 4.208 4.320 0.183 0.000 0.280 1347 K C 0.311 176.952 176.600 0.068 0.000 1.154 1347 K CA 0.701 57.018 56.287 0.050 0.000 0.822 1347 K CB -1.305 31.215 32.500 0.034 0.000 1.239 1347 K HN 0.496 nan 8.250 nan 0.000 0.489 1348 A N -0.128 122.766 122.820 0.123 0.000 1.911 1348 A HA 0.039 4.469 4.320 0.183 0.000 0.212 1348 A C 0.964 178.486 177.584 -0.103 0.000 1.189 1348 A CA 1.479 53.619 52.037 0.172 0.000 0.639 1348 A CB -0.132 19.160 19.000 0.487 0.000 0.839 1348 A HN 0.667 nan 8.150 nan 0.000 0.449 1349 T N -0.498 113.855 114.554 -0.335 0.000 2.874 1349 T HA 0.468 4.928 4.350 0.183 0.000 0.281 1349 T C 0.341 174.858 174.700 -0.304 0.000 0.994 1349 T CA 0.066 61.788 62.100 -0.630 0.000 1.015 1349 T CB 1.092 69.593 68.868 -0.612 0.000 1.028 1349 T HN 0.563 nan 8.240 nan 0.000 0.523 1350 S N 1.848 117.380 115.700 -0.279 0.000 2.531 1350 S HA 0.135 4.715 4.470 0.183 0.000 0.279 1350 S C 0.202 174.681 174.600 -0.201 0.000 1.305 1350 S CA -0.943 57.146 58.200 -0.184 0.000 1.058 1350 S CB 0.050 63.164 63.200 -0.144 0.000 0.899 1350 S HN 0.774 nan 8.310 nan 0.000 0.493 1351 N N 2.667 121.262 118.700 -0.175 0.000 2.405 1351 N HA 0.080 4.930 4.740 0.183 0.000 0.260 1351 N C 0.801 176.167 175.510 -0.241 0.000 1.152 1351 N CA 0.059 52.993 53.050 -0.193 0.000 0.948 1351 N CB 0.659 39.068 38.487 -0.130 0.000 1.111 1351 N HN 0.736 nan 8.380 nan 0.000 0.485 1352 T N 4.303 118.660 114.554 -0.327 0.000 2.821 1352 T HA -0.032 4.428 4.350 0.183 0.000 0.267 1352 T C 1.968 176.308 174.700 -0.600 0.000 1.046 1352 T CA 0.629 62.420 62.100 -0.516 0.000 1.139 1352 T CB 0.114 68.657 68.868 -0.541 0.000 0.871 1352 T HN 0.464 nan 8.240 nan 0.000 0.454 1353 L N 0.757 121.791 121.223 -0.313 0.000 2.042 1353 L HA -0.125 4.325 4.340 0.183 0.000 0.210 1353 L C 2.715 179.560 176.870 -0.042 0.000 1.076 1353 L CA 1.607 56.375 54.840 -0.121 0.000 0.749 1353 L CB -0.563 41.468 42.059 -0.047 0.000 0.893 1353 L HN 0.380 nan 8.230 nan 0.000 0.432 1354 E N -0.510 119.656 120.200 -0.056 0.000 2.106 1354 E HA -0.182 4.278 4.350 0.183 0.000 0.192 1354 E C 2.115 178.794 176.600 0.132 0.000 0.984 1354 E CA 0.613 57.043 56.400 0.050 0.000 0.806 1354 E CB 0.133 29.847 29.700 0.023 0.000 0.750 1354 E HN 0.389 nan 8.360 nan 0.000 0.458 1355 E N 0.272 120.448 120.200 -0.040 0.000 2.077 1355 E HA -0.158 4.302 4.350 0.183 0.000 0.193 1355 E C 1.924 178.617 176.600 0.154 0.000 0.989 1355 E CA 0.833 57.223 56.400 -0.016 0.000 0.800 1355 E CB -0.185 29.415 29.700 -0.166 0.000 0.746 1355 E HN 0.224 nan 8.360 nan 0.000 0.452 1356 F N 1.480 121.458 119.950 0.046 0.000 2.134 1356 F HA -0.112 4.525 4.527 0.183 0.000 0.299 1356 F C 2.365 178.171 175.800 0.010 0.000 1.097 1356 F CA 0.758 58.775 58.000 0.028 0.000 1.264 1356 F CB -0.835 38.167 39.000 0.003 0.000 1.001 1356 F HN 0.115 nan 8.300 nan 0.000 0.479 1357 E N -0.868 119.445 120.200 0.189 0.000 2.331 1357 E HA -0.224 4.236 4.350 0.183 0.000 0.199 1357 E C 1.074 177.585 176.600 -0.149 0.000 1.008 1357 E CA 1.036 57.434 56.400 -0.004 0.000 0.843 1357 E CB -0.123 29.547 29.700 -0.049 0.000 0.761 1357 E HN 0.505 nan 8.360 nan 0.000 0.507 1358 H N -1.884 117.188 119.070 0.003 0.000 2.586 1358 H HA 0.235 4.900 4.556 0.183 0.000 0.273 1358 H C 0.744 176.088 175.328 0.027 0.000 0.997 1358 H CA 0.588 56.621 56.048 -0.025 0.000 1.177 1358 H CB 1.331 31.085 29.762 -0.014 0.000 1.471 1358 H HN 0.246 nan 8.280 nan 0.000 0.538 1359 G N 1.183 110.079 108.800 0.160 0.000 2.171 1359 G HA2 -0.259 3.811 3.960 0.183 0.000 0.238 1359 G HA3 -0.259 3.811 3.960 0.183 0.000 0.238 1359 G C -0.224 174.866 174.900 0.317 0.000 1.039 1359 G CA -0.561 44.686 45.100 0.245 0.000 0.759 1359 G HN 0.149 nan 8.290 nan 0.000 0.501 1360 R N 1.294 121.961 120.500 0.278 0.000 2.229 1360 R HA 0.444 4.894 4.340 0.183 0.000 0.332 1360 R C 0.878 177.347 176.300 0.282 0.000 0.989 1360 R CA 0.248 56.490 56.100 0.236 0.000 0.842 1360 R CB 0.802 31.201 30.300 0.166 0.000 1.119 1360 R HN 0.491 nan 8.270 nan 0.000 0.456 1361 T N 0.649 115.327 114.554 0.207 0.000 2.898 1361 T HA 0.150 4.610 4.350 0.183 0.000 0.301 1361 T C -1.676 173.143 174.700 0.198 0.000 1.049 1361 T CA -1.480 60.737 62.100 0.196 0.000 1.095 1361 T CB 0.942 69.886 68.868 0.127 0.000 0.976 1361 T HN 0.179 nan 8.240 nan 0.000 0.539 1362 P HA -0.120 nan 4.420 nan 0.000 0.216 1362 P C 1.507 178.879 177.300 0.121 0.000 1.154 1362 P CA 1.529 64.719 63.100 0.150 0.000 0.865 1362 P CB -0.305 31.475 31.700 0.134 0.000 0.789 1363 A N -0.867 122.034 122.820 0.134 0.000 2.259 1363 A HA -0.157 4.273 4.320 0.183 0.000 0.212 1363 A C 1.874 179.558 177.584 0.167 0.000 1.178 1363 A CA 1.232 53.364 52.037 0.159 0.000 0.734 1363 A CB -1.040 18.063 19.000 0.171 0.000 0.774 1363 A HN 0.241 nan 8.150 nan 0.000 0.481 1364 E N -1.276 119.009 120.200 0.142 0.000 2.641 1364 E HA 0.220 4.680 4.350 0.183 0.000 0.224 1364 E C 1.104 177.766 176.600 0.104 0.000 0.951 1364 E CA -0.111 56.368 56.400 0.131 0.000 1.102 1364 E CB 0.162 29.931 29.700 0.116 0.000 1.091 1364 E HN 0.646 nan 8.360 nan 0.000 0.507 1365 M N 0.058 119.712 119.600 0.090 0.000 2.561 1365 M HA 0.155 4.745 4.480 0.183 0.000 0.238 1365 M C 0.787 177.118 176.300 0.052 0.000 1.131 1365 M CA 0.309 55.634 55.300 0.043 0.000 1.046 1365 M CB 0.744 33.344 32.600 -0.000 0.000 1.532 1365 M HN -0.140 nan 8.290 nan 0.000 0.497 1366 S N 1.980 117.744 115.700 0.107 0.000 2.577 1366 S HA 0.486 5.066 4.470 0.183 0.000 0.294 1366 S C -0.526 174.171 174.600 0.161 0.000 1.161 1366 S CA -0.748 57.535 58.200 0.139 0.000 1.143 1366 S CB 0.212 63.522 63.200 0.183 0.000 0.991 1366 S HN 0.442 nan 8.310 nan 0.000 0.475 1367 R N 3.869 124.415 120.500 0.077 0.000 2.629 1367 R HA 0.348 4.797 4.340 0.183 0.000 0.275 1367 R C -3.150 173.104 176.300 -0.077 0.000 1.719 1367 R CA -1.733 54.374 56.100 0.012 0.000 1.472 1367 R CB 0.952 31.241 30.300 -0.019 0.000 1.237 1367 R HN 0.318 nan 8.270 nan 0.000 0.589 1368 P HA 0.028 nan 4.420 nan 0.000 0.271 1368 P C 0.391 177.371 177.300 -0.534 0.000 1.218 1368 P CA 0.376 63.325 63.100 -0.250 0.000 0.780 1368 P CB 1.208 32.817 31.700 -0.151 0.000 0.901 1369 A N 0.895 123.434 122.820 -0.469 0.000 3.413 1369 A HA -0.194 4.236 4.320 0.183 0.000 0.268 1369 A C 0.786 178.119 177.584 -0.419 0.000 1.128 1369 A CA 1.704 53.415 52.037 -0.543 0.000 1.062 1369 A CB -2.904 15.548 19.000 -0.914 0.000 1.121 1369 A HN 0.517 nan 8.150 nan 0.000 0.895 1370 T N 0.188 114.566 114.554 -0.293 0.000 2.868 1370 T HA 0.395 4.854 4.350 0.183 0.000 0.292 1370 T C 1.584 176.192 174.700 -0.152 0.000 1.028 1370 T CA 0.338 62.319 62.100 -0.199 0.000 1.059 1370 T CB 1.233 70.018 68.868 -0.139 0.000 0.991 1370 T HN 0.412 nan 8.240 nan 0.000 0.531 1371 T N 1.987 116.468 114.554 -0.121 0.000 2.759 1371 T HA -0.093 4.367 4.350 0.183 0.000 0.269 1371 T C 1.805 176.449 174.700 -0.093 0.000 1.042 1371 T CA 1.638 63.683 62.100 -0.092 0.000 1.140 1371 T CB -0.289 68.532 68.868 -0.078 0.000 0.864 1371 T HN 0.757 nan 8.240 nan 0.000 0.455 1372 T N 1.882 116.374 114.554 -0.105 0.000 3.122 1372 T HA 0.153 4.613 4.350 0.183 0.000 0.250 1372 T C 0.593 175.223 174.700 -0.117 0.000 1.067 1372 T CA -0.467 61.562 62.100 -0.118 0.000 0.966 1372 T CB -0.212 68.579 68.868 -0.130 0.000 1.002 1372 T HN 0.545 nan 8.240 nan 0.000 0.542 1373 R N 1.723 122.163 120.500 -0.101 0.000 2.583 1373 R HA 0.123 4.573 4.340 0.183 0.000 0.274 1373 R C 0.232 176.486 176.300 -0.078 0.000 0.998 1373 R CA 0.261 56.311 56.100 -0.083 0.000 1.081 1373 R CB 0.036 30.286 30.300 -0.083 0.000 0.940 1373 R HN 0.035 nan 8.270 nan 0.000 0.413 1374 N N 0.195 118.853 118.700 -0.069 0.000 2.082 1374 N HA 0.187 5.037 4.740 0.183 0.000 0.228 1374 N C -0.946 174.528 175.510 -0.060 0.000 1.341 1374 N CA 0.617 53.617 53.050 -0.083 0.000 0.873 1374 N CB 1.663 40.074 38.487 -0.127 0.000 1.137 1374 N HN 0.977 nan 8.380 nan 0.000 0.505 1375 G N 0.178 108.964 108.800 -0.024 0.000 2.375 1375 G HA2 0.096 4.166 3.960 0.183 0.000 0.663 1375 G HA3 0.096 4.166 3.960 0.183 0.000 0.663 1375 G C -0.776 174.140 174.900 0.027 0.000 1.391 1375 G CA -0.633 44.464 45.100 -0.006 0.000 0.949 1375 G HN 0.282 nan 8.290 nan 0.000 0.646 1376 F N 0.307 120.253 119.950 -0.006 0.000 2.380 1376 F HA 0.866 5.503 4.527 0.183 0.000 0.325 1376 F C 0.349 176.154 175.800 0.008 0.000 1.136 1376 F CA -1.418 56.589 58.000 0.012 0.000 1.171 1376 F CB 1.135 40.167 39.000 0.054 0.000 1.230 1376 F HN 0.579 nan 8.300 nan 0.000 0.554 1377 M N 2.954 122.700 119.600 0.243 0.000 2.180 1377 M HA 0.297 4.887 4.480 0.183 0.000 0.350 1377 M C -0.599 175.868 176.300 0.278 0.000 1.125 1377 M CA -0.387 54.982 55.300 0.115 0.000 1.031 1377 M CB 0.788 33.457 32.600 0.115 0.000 1.623 1377 M HN 0.839 nan 8.290 nan 0.000 0.451 1378 E N 3.057 123.326 120.200 0.115 0.000 2.343 1378 E HA 0.678 5.138 4.350 0.183 0.000 0.269 1378 E C -1.319 175.348 176.600 0.110 0.000 1.047 1378 E CA -0.291 56.246 56.400 0.228 0.000 0.874 1378 E CB 0.872 30.737 29.700 0.275 0.000 1.033 1378 E HN 0.858 nan 8.360 nan 0.000 0.409 1379 A N 2.852 125.757 122.820 0.142 0.000 2.533 1379 A HA 0.508 4.938 4.320 0.183 0.000 0.293 1379 A C -1.583 176.092 177.584 0.153 0.000 1.228 1379 A CA -0.784 51.314 52.037 0.102 0.000 0.689 1379 A CB 1.566 20.683 19.000 0.196 0.000 1.303 1379 A HN 0.671 nan 8.150 nan 0.000 0.444 1380 Q N -1.142 118.755 119.800 0.162 0.000 2.495 1380 Q HA 0.779 5.229 4.340 0.183 0.000 0.287 1380 Q C -0.091 175.952 176.000 0.071 0.000 1.078 1380 Q CA -0.648 55.251 55.803 0.160 0.000 0.793 1380 Q CB 2.057 30.950 28.738 0.259 0.000 1.459 1380 Q HN 2.526 nan 8.270 nan 0.000 0.422 1381 G N -0.501 108.266 108.800 -0.054 0.000 2.315 1381 G HA2 0.461 4.531 3.960 0.183 0.000 0.296 1381 G HA3 0.461 4.531 3.960 0.183 0.000 0.296 1381 G C -1.737 173.256 174.900 0.156 0.000 1.289 1381 G CA -0.245 44.770 45.100 -0.143 0.000 0.996 1381 G HN 1.313 nan 8.290 nan 0.000 0.487 1382 A N -1.625 121.386 122.820 0.318 0.000 2.609 1382 A HA 1.113 5.543 4.320 0.183 0.000 0.291 1382 A C -0.146 177.766 177.584 0.546 0.000 1.096 1382 A CA 0.336 52.608 52.037 0.391 0.000 0.684 1382 A CB 1.580 20.831 19.000 0.418 0.000 1.282 1382 A HN 2.611 nan 8.150 nan 0.000 0.412 1383 G N 0.378 109.441 108.800 0.438 0.000 2.734 1383 G HA2 0.633 4.703 3.960 0.183 0.000 0.293 1383 G HA3 0.633 4.703 3.960 0.183 0.000 0.293 1383 G C -0.847 174.244 174.900 0.319 0.000 1.422 1383 G CA 0.092 45.470 45.100 0.463 0.000 1.177 1383 G HN 1.616 nan 8.290 nan 0.000 0.565 1384 I N -0.416 120.318 120.570 0.273 0.000 3.042 1384 I HA 0.825 5.105 4.170 0.183 0.000 0.310 1384 I C -1.149 175.067 176.117 0.165 0.000 1.117 1384 I CA -1.181 60.242 61.300 0.205 0.000 1.003 1384 I CB 2.627 40.745 38.000 0.197 0.000 1.228 1384 I HN 0.539 nan 8.210 nan 0.000 0.443 1385 Q N 4.456 124.320 119.800 0.108 0.000 2.451 1385 Q HA 0.597 5.047 4.340 0.183 0.000 0.281 1385 Q C -1.444 174.556 176.000 0.000 0.000 1.099 1385 Q CA -0.901 54.949 55.803 0.078 0.000 0.806 1385 Q CB 2.933 31.712 28.738 0.068 0.000 1.419 1385 Q HN 0.778 nan 8.270 nan 0.000 0.427 1386 I N 2.655 123.194 120.570 -0.051 0.000 2.336 1386 I HA 0.447 4.727 4.170 0.183 0.000 0.292 1386 I C 0.252 176.350 176.117 -0.031 0.000 0.991 1386 I CA -1.011 60.226 61.300 -0.105 0.000 1.227 1386 I CB 1.143 38.990 38.000 -0.254 0.000 1.366 1386 I HN 0.621 nan 8.210 nan 0.000 0.466 1387 I N 3.837 124.400 120.570 -0.013 0.000 2.797 1387 I HA 0.780 5.060 4.170 0.183 0.000 0.307 1387 I C -0.795 175.331 176.117 0.015 0.000 1.033 1387 I CA -0.783 60.522 61.300 0.008 0.000 1.071 1387 I CB 2.429 40.436 38.000 0.012 0.000 1.255 1387 I HN 0.642 nan 8.210 nan 0.000 0.445 1388 M N 2.165 121.777 119.600 0.020 0.000 2.682 1388 M HA 0.326 4.916 4.480 0.183 0.000 0.272 1388 M C -1.592 174.723 176.300 0.026 0.000 1.232 1388 M CA -0.517 54.798 55.300 0.025 0.000 0.849 1388 M CB 2.850 35.461 32.600 0.017 0.000 1.695 1388 M HN 0.717 nan 8.290 nan 0.000 0.481 1389 Q N 0.954 120.773 119.800 0.032 0.000 2.311 1389 Q HA 0.266 4.716 4.340 0.183 0.000 0.272 1389 Q C 0.881 176.894 176.000 0.022 0.000 1.012 1389 Q CA 0.423 56.245 55.803 0.032 0.000 0.891 1389 Q CB 1.287 30.050 28.738 0.041 0.000 1.201 1389 Q HN 0.802 nan 8.270 nan 0.000 0.391 1390 A N 3.355 126.186 122.820 0.019 0.000 1.948 1390 A HA -0.273 4.157 4.320 0.183 0.000 0.220 1390 A C 1.573 179.157 177.584 0.000 0.000 1.177 1390 A CA 2.108 54.145 52.037 0.000 0.000 0.636 1390 A CB -0.234 18.770 19.000 0.008 0.000 0.815 1390 A HN 0.837 nan 8.150 nan 0.000 0.449 1391 D N -0.567 119.845 120.400 0.021 0.000 2.117 1391 D HA -0.087 4.663 4.640 0.183 0.000 0.198 1391 D C 1.888 178.208 176.300 0.034 0.000 0.982 1391 D CA 0.844 54.862 54.000 0.030 0.000 0.828 1391 D CB -0.231 40.594 40.800 0.042 0.000 0.967 1391 D HN 0.397 nan 8.370 nan 0.000 0.464 1392 L N 0.094 121.336 121.223 0.032 0.000 2.056 1392 L HA -0.128 4.322 4.340 0.183 0.000 0.207 1392 L C 2.271 179.131 176.870 -0.016 0.000 1.078 1392 L CA 1.339 56.192 54.840 0.022 0.000 0.749 1392 L CB -0.320 41.757 42.059 0.030 0.000 0.901 1392 L HN -0.007 nan 8.230 nan 0.000 0.433 1393 A N 0.087 122.905 122.820 -0.004 0.000 1.883 1393 A HA -0.234 4.196 4.320 0.183 0.000 0.217 1393 A C 2.164 179.793 177.584 0.076 0.000 1.186 1393 A CA 1.643 53.687 52.037 0.012 0.000 0.624 1393 A CB -0.787 18.224 19.000 0.018 0.000 0.822 1393 A HN 0.473 nan 8.150 nan 0.000 0.444 1394 L N -0.892 120.348 121.223 0.028 0.000 2.012 1394 L HA -0.225 4.225 4.340 0.183 0.000 0.210 1394 L C 2.699 179.678 176.870 0.182 0.000 1.073 1394 L CA 2.082 56.946 54.840 0.041 0.000 0.748 1394 L CB -0.422 41.596 42.059 -0.069 0.000 0.891 1394 L HN 0.483 nan 8.230 nan 0.000 0.431 1395 K N 0.114 120.573 120.400 0.098 0.000 2.025 1395 K HA -0.168 4.262 4.320 0.183 0.000 0.207 1395 K C 2.212 178.862 176.600 0.083 0.000 1.049 1395 K CA 1.401 57.758 56.287 0.116 0.000 0.933 1395 K CB -0.036 32.539 32.500 0.125 0.000 0.714 1395 K HN 0.165 nan 8.250 nan 0.000 0.438 1396 M N -0.529 118.986 119.600 -0.143 0.000 2.159 1396 M HA -0.044 4.546 4.480 0.183 0.000 0.263 1396 M C 0.918 177.174 176.300 -0.073 0.000 1.063 1396 M CA 1.472 56.518 55.300 -0.423 0.000 1.110 1396 M CB -0.123 32.088 32.600 -0.649 0.000 1.374 1396 M HN 0.501 nan 8.290 nan 0.000 0.411 1397 G N 1.644 110.478 108.800 0.056 0.000 2.370 1397 G HA2 -0.117 3.953 3.960 0.183 0.000 0.268 1397 G HA3 -0.117 3.953 3.960 0.183 0.000 0.268 1397 G C -0.157 174.742 174.900 -0.002 0.000 1.122 1397 G CA 0.032 45.164 45.100 0.053 0.000 0.963 1397 G HN 0.497 nan 8.290 nan 0.000 0.500 1398 V N -2.834 117.123 119.914 0.073 0.000 3.096 1398 V HA 0.959 5.189 4.120 0.183 0.000 0.319 1398 V C -1.793 174.309 176.094 0.013 0.000 1.082 1398 V CA -2.813 59.496 62.300 0.016 0.000 1.022 1398 V CB 1.704 33.528 31.823 0.001 0.000 1.103 1398 V HN 0.123 nan 8.190 nan 0.000 0.455 1399 P HA 0.450 nan 4.420 nan 0.000 0.272 1399 P C -0.794 176.385 177.300 -0.203 0.000 1.223 1399 P CA 0.010 62.898 63.100 -0.352 0.000 0.784 1399 P CB 0.380 31.468 31.700 -1.020 0.000 0.923 1400 I N 2.266 122.743 120.570 -0.154 0.000 2.411 1400 I HA 0.216 4.496 4.170 0.183 0.000 0.284 1400 I C 0.105 176.117 176.117 -0.175 0.000 1.012 1400 I CA -0.382 60.870 61.300 -0.081 0.000 1.119 1400 I CB 1.372 39.377 38.000 0.010 0.000 1.261 1400 I HN 0.397 nan 8.210 nan 0.000 0.448 1401 Y N 4.400 124.678 120.300 -0.036 0.000 2.497 1401 Y HA 0.408 5.068 4.550 0.184 0.000 0.265 1401 Y C 1.379 177.192 175.900 -0.144 0.000 1.111 1401 Y CA 0.010 58.074 58.100 -0.060 0.000 1.288 1401 Y CB 0.860 39.334 38.460 0.023 0.000 1.082 1401 Y HN 0.611 nan 8.280 nan 0.000 0.536 1402 G N -0.471 108.327 108.800 -0.003 0.000 2.356 1402 G HA2 0.410 4.480 3.960 0.183 0.000 0.294 1402 G HA3 0.410 4.480 3.960 0.183 0.000 0.294 1402 G C -1.913 172.935 174.900 -0.087 0.000 1.423 1402 G CA -0.993 44.055 45.100 -0.086 0.000 0.806 1402 G HN -0.085 nan 8.290 nan 0.000 0.527 1403 I N 0.957 121.458 120.570 -0.116 0.000 2.339 1403 I HA 0.316 4.596 4.170 0.183 0.000 0.290 1403 I C 0.119 176.198 176.117 -0.064 0.000 0.994 1403 I CA -1.021 60.215 61.300 -0.107 0.000 1.191 1403 I CB 1.934 39.803 38.000 -0.218 0.000 1.343 1403 I HN 0.161 nan 8.210 nan 0.000 0.458 1404 V N 6.471 126.369 119.914 -0.028 0.000 2.397 1404 V HA 0.124 4.354 4.120 0.183 0.000 0.262 1404 V C 1.107 177.213 176.094 0.020 0.000 1.047 1404 V CA 0.160 62.451 62.300 -0.014 0.000 1.003 1404 V CB 0.643 32.460 31.823 -0.010 0.000 1.037 1404 V HN 0.960 nan 8.190 nan 0.000 0.480 1405 A N 5.540 128.375 122.820 0.025 0.000 2.390 1405 A HA 0.640 5.070 4.320 0.183 0.000 0.232 1405 A C 0.416 178.039 177.584 0.066 0.000 1.233 1405 A CA 0.083 52.175 52.037 0.091 0.000 0.907 1405 A CB 0.191 19.261 19.000 0.117 0.000 0.967 1405 A HN 0.771 nan 8.150 nan 0.000 0.512 1406 M N -1.496 118.117 119.600 0.022 0.000 2.624 1406 M HA 0.512 5.102 4.480 0.183 0.000 0.286 1406 M C -2.572 173.715 176.300 -0.022 0.000 1.095 1406 M CA -0.224 55.079 55.300 0.005 0.000 0.865 1406 M CB 1.441 34.037 32.600 -0.007 0.000 1.762 1406 M HN 0.498 nan 8.290 nan 0.000 0.527 1407 A N 2.658 125.460 122.820 -0.029 0.000 2.491 1407 A HA 0.946 5.376 4.320 0.183 0.000 0.293 1407 A C -1.795 175.756 177.584 -0.056 0.000 1.047 1407 A CA 0.094 52.102 52.037 -0.048 0.000 0.735 1407 A CB 1.447 20.423 19.000 -0.041 0.000 1.281 1407 A HN 1.590 nan 8.150 nan 0.000 0.398 1408 A N 1.268 124.041 122.820 -0.079 0.000 2.515 1408 A HA 0.971 5.401 4.320 0.183 0.000 0.298 1408 A C -0.243 177.274 177.584 -0.112 0.000 1.059 1408 A CA 0.005 51.991 52.037 -0.085 0.000 0.698 1408 A CB 1.434 20.384 19.000 -0.085 0.000 1.289 1408 A HN 1.958 nan 8.150 nan 0.000 0.404 1409 T N -1.015 113.478 114.554 -0.102 0.000 2.863 1409 T HA 0.872 5.332 4.350 0.183 0.000 0.285 1409 T C -0.415 174.218 174.700 -0.112 0.000 1.009 1409 T CA -0.144 61.884 62.100 -0.119 0.000 0.989 1409 T CB 1.746 70.556 68.868 -0.096 0.000 1.004 1409 T HN 2.146 nan 8.240 nan 0.000 0.455 1410 A N 2.082 124.823 122.820 -0.132 0.000 2.488 1410 A HA 0.707 5.137 4.320 0.183 0.000 0.295 1410 A C 0.078 177.602 177.584 -0.100 0.000 1.045 1410 A CA -0.918 51.054 52.037 -0.108 0.000 0.703 1410 A CB 1.223 20.156 19.000 -0.112 0.000 1.271 1410 A HN 0.863 nan 8.150 nan 0.000 0.400 1411 T N 1.275 115.789 114.554 -0.068 0.000 2.788 1411 T HA 0.326 4.786 4.350 0.183 0.000 0.287 1411 T C 0.307 174.984 174.700 -0.039 0.000 1.007 1411 T CA -0.121 61.951 62.100 -0.048 0.000 1.005 1411 T CB 0.570 69.418 68.868 -0.033 0.000 1.012 1411 T HN 0.648 nan 8.240 nan 0.000 0.530 1412 D N 0.574 120.961 120.400 -0.021 0.000 2.541 1412 D HA 0.268 5.018 4.640 0.183 0.000 0.261 1412 D C 0.677 176.971 176.300 -0.009 0.000 1.415 1412 D CA 0.358 54.352 54.000 -0.010 0.000 1.059 1412 D CB 0.221 41.027 40.800 0.009 0.000 0.971 1412 D HN 0.661 nan 8.370 nan 0.000 0.308 1413 K N -0.968 119.430 120.400 -0.003 0.000 2.499 1413 K HA 0.403 4.833 4.320 0.183 0.000 0.284 1413 K C -0.776 175.824 176.600 -0.001 0.000 1.039 1413 K CA -0.754 55.531 56.287 -0.004 0.000 0.873 1413 K CB 0.948 33.447 32.500 -0.003 0.000 1.545 1413 K HN -0.107 nan 8.250 nan 0.000 0.402 1414 I N 1.418 121.987 120.570 -0.002 0.000 2.683 1414 I HA 0.237 4.517 4.170 0.183 0.000 0.286 1414 I C 0.569 176.688 176.117 0.004 0.000 1.175 1414 I CA 0.845 62.145 61.300 0.001 0.000 1.429 1414 I CB 0.155 38.155 38.000 -0.001 0.000 1.371 1414 I HN 0.903 nan 8.210 nan 0.000 0.569 1415 G N 5.417 114.221 108.800 0.006 0.000 2.634 1415 G HA2 0.559 4.629 3.960 0.183 0.000 0.309 1415 G HA3 0.559 4.629 3.960 0.183 0.000 0.309 1415 G C -0.267 174.639 174.900 0.011 0.000 1.299 1415 G CA -0.397 44.708 45.100 0.009 0.000 0.798 1415 G HN 0.483 nan 8.290 nan 0.000 0.490 1416 R N -1.020 119.488 120.500 0.014 0.000 2.504 1416 R HA 0.333 4.782 4.340 0.183 0.000 0.341 1416 R C 0.306 176.619 176.300 0.022 0.000 0.905 1416 R CA 0.182 56.292 56.100 0.016 0.000 1.133 1416 R CB 0.985 31.293 30.300 0.013 0.000 1.704 1416 R HN 0.467 nan 8.270 nan 0.000 0.503 1417 S N 0.515 116.229 115.700 0.022 0.000 2.474 1417 S HA 0.223 4.803 4.470 0.183 0.000 0.320 1417 S C 1.193 175.813 174.600 0.034 0.000 1.067 1417 S CA -0.514 57.703 58.200 0.028 0.000 1.127 1417 S CB 0.711 63.921 63.200 0.018 0.000 0.971 1417 S HN 0.030 nan 8.310 nan 0.000 0.472 1418 V N 6.666 126.615 119.914 0.060 0.000 2.343 1418 V HA -0.033 4.197 4.120 0.183 0.000 0.247 1418 V C -1.048 175.096 176.094 0.084 0.000 1.051 1418 V CA 1.376 63.729 62.300 0.089 0.000 1.036 1418 V CB -1.455 30.445 31.823 0.129 0.000 0.654 1418 V HN 0.630 nan 8.190 nan 0.000 0.451 1419 P HA 0.170 nan 4.420 nan 0.000 0.249 1419 P C 0.107 177.241 177.300 -0.277 0.000 1.241 1419 P CA 0.495 63.472 63.100 -0.205 0.000 0.781 1419 P CB -0.137 31.546 31.700 -0.028 0.000 1.088 1420 A N 1.194 123.950 122.820 -0.106 0.000 2.354 1420 A HA 0.539 4.969 4.320 0.183 0.000 0.269 1420 A C -2.309 175.243 177.584 -0.053 0.000 1.109 1420 A CA -1.321 50.671 52.037 -0.075 0.000 0.800 1420 A CB -0.383 18.602 19.000 -0.025 0.000 1.045 1420 A HN 0.007 nan 8.150 nan 0.000 0.489 1421 P HA 0.589 nan 4.420 nan 0.000 0.281 1421 P C 0.239 177.578 177.300 0.065 0.000 1.249 1421 P CA -0.060 63.058 63.100 0.031 0.000 0.810 1421 P CB 1.695 33.349 31.700 -0.076 0.000 1.008 1422 G N 0.664 109.565 108.800 0.168 0.000 2.975 1422 G HA2 0.469 4.539 3.960 0.183 0.000 0.291 1422 G HA3 0.469 4.539 3.960 0.183 0.000 0.291 1422 G C -0.850 174.162 174.900 0.185 0.000 1.334 1422 G CA -0.723 44.450 45.100 0.122 0.000 0.843 1422 G HN 0.302 nan 8.290 nan 0.000 0.548 1423 K N -0.002 120.458 120.400 0.100 0.000 2.758 1423 K HA 0.232 4.662 4.320 0.183 0.000 0.208 1423 K C 1.644 178.257 176.600 0.021 0.000 1.091 1423 K CA 0.076 56.415 56.287 0.086 0.000 1.059 1423 K CB 1.124 33.656 32.500 0.054 0.000 0.801 1423 K HN 0.484 nan 8.250 nan 0.000 0.470 1424 G N 1.370 110.167 108.800 -0.004 0.000 2.418 1424 G HA2 -0.222 3.848 3.960 0.183 0.000 0.217 1424 G HA3 -0.222 3.848 3.960 0.183 0.000 0.217 1424 G C 1.239 176.089 174.900 -0.083 0.000 1.158 1424 G CA 0.442 45.513 45.100 -0.048 0.000 0.771 1424 G HN 0.284 nan 8.290 nan 0.000 0.545 1425 I N 0.797 121.288 120.570 -0.132 0.000 3.083 1425 I HA 0.082 4.362 4.170 0.183 0.000 0.273 1425 I C 2.122 178.177 176.117 -0.103 0.000 1.297 1425 I CA 0.179 61.377 61.300 -0.171 0.000 1.452 1425 I CB -0.037 37.763 38.000 -0.333 0.000 1.078 1425 I HN 0.131 nan 8.210 nan 0.000 0.484 1426 L N 0.086 121.275 121.223 -0.058 0.000 2.362 1426 L HA -0.156 4.294 4.340 0.183 0.000 0.219 1426 L C 2.128 178.964 176.870 -0.056 0.000 1.134 1426 L CA 1.648 56.462 54.840 -0.044 0.000 0.807 1426 L CB -0.616 41.425 42.059 -0.030 0.000 0.927 1426 L HN 0.486 nan 8.230 nan 0.000 0.447 1427 T N -4.862 109.655 114.554 -0.062 0.000 3.051 1427 T HA -0.128 4.332 4.350 0.183 0.000 0.269 1427 T C 1.607 176.278 174.700 -0.049 0.000 1.127 1427 T CA 1.096 63.161 62.100 -0.058 0.000 1.107 1427 T CB -0.771 68.062 68.868 -0.059 0.000 0.898 1427 T HN 0.502 nan 8.240 nan 0.000 0.517 1428 T N -1.313 113.208 114.554 -0.056 0.000 3.160 1428 T HA 0.439 4.899 4.350 0.183 0.000 0.257 1428 T C 1.616 176.295 174.700 -0.035 0.000 1.147 1428 T CA 0.333 62.402 62.100 -0.051 0.000 1.064 1428 T CB -0.273 68.553 68.868 -0.069 0.000 0.949 1428 T HN 0.493 nan 8.240 nan 0.000 0.526 1429 A N 1.635 124.447 122.820 -0.013 0.000 2.470 1429 A HA 0.355 4.785 4.320 0.183 0.000 0.251 1429 A C 1.093 178.745 177.584 0.112 0.000 1.245 1429 A CA -0.723 51.337 52.037 0.038 0.000 0.932 1429 A CB -0.204 18.830 19.000 0.057 0.000 1.037 1429 A HN 0.604 nan 8.150 nan 0.000 0.522 1430 R N 1.533 122.058 120.500 0.042 0.000 2.404 1430 R HA 0.253 4.703 4.340 0.183 0.000 0.315 1430 R C -0.600 175.727 176.300 0.045 0.000 1.032 1430 R CA 0.433 56.559 56.100 0.044 0.000 0.992 1430 R CB 0.011 30.302 30.300 -0.015 0.000 0.959 1430 R HN 0.560 nan 8.270 nan 0.000 0.428 1431 E N 3.106 123.345 120.200 0.064 0.000 2.408 1431 E HA 0.176 4.636 4.350 0.183 0.000 0.275 1431 E C -1.512 174.966 176.600 -0.203 0.000 0.935 1431 E CA -1.024 55.334 56.400 -0.070 0.000 0.775 1431 E CB 1.525 31.166 29.700 -0.099 0.000 1.277 1431 E HN 0.747 nan 8.360 nan 0.000 0.455 1432 H N 1.591 120.518 119.070 -0.239 0.000 2.594 1432 H HA 0.177 4.843 4.556 0.183 0.000 0.304 1432 H C -0.515 174.734 175.328 -0.132 0.000 1.068 1432 H CA -0.537 55.400 56.048 -0.185 0.000 1.308 1432 H CB 0.669 30.393 29.762 -0.064 0.000 1.409 1432 H HN 0.553 nan 8.280 nan 0.000 0.460 1433 H N 2.980 121.898 119.070 -0.253 0.000 2.505 1433 H HA -0.010 4.656 4.556 0.183 0.000 0.286 1433 H C 1.842 176.988 175.328 -0.304 0.000 1.072 1433 H CA 0.394 56.309 56.048 -0.222 0.000 1.141 1433 H CB 0.380 30.059 29.762 -0.139 0.000 1.550 1433 H HN 0.595 nan 8.280 nan 0.000 0.547 1434 S N -0.391 115.006 115.700 -0.505 0.000 2.507 1434 S HA 0.004 4.584 4.470 0.183 0.000 0.235 1434 S C 0.577 175.093 174.600 -0.140 0.000 0.988 1434 S CA 0.074 58.069 58.200 -0.342 0.000 0.944 1434 S CB 0.137 63.084 63.200 -0.422 0.000 0.762 1434 S HN 0.087 nan 8.310 nan 0.000 0.526 1435 S N 0.144 115.783 115.700 -0.101 0.000 2.706 1435 S HA 0.510 5.090 4.470 0.183 0.000 0.270 1435 S C -0.782 173.793 174.600 -0.041 0.000 1.163 1435 S CA -0.780 57.391 58.200 -0.049 0.000 1.042 1435 S CB 2.011 65.209 63.200 -0.005 0.000 1.079 1435 S HN 0.209 nan 8.310 nan 0.000 0.474 1436 V N 3.149 123.015 119.914 -0.079 0.000 2.864 1436 V HA 0.261 4.491 4.120 0.183 0.000 0.378 1436 V C 1.106 177.100 176.094 -0.166 0.000 1.346 1436 V CA -0.554 61.692 62.300 -0.091 0.000 1.328 1436 V CB 0.532 32.297 31.823 -0.096 0.000 1.361 1436 V HN 0.544 nan 8.190 nan 0.000 0.641 1437 K N 0.819 121.064 120.400 -0.258 0.000 1.980 1437 K HA 0.130 4.560 4.320 0.183 0.000 0.208 1437 K C 0.208 176.461 176.600 -0.578 0.000 1.043 1437 K CA 1.510 57.467 56.287 -0.549 0.000 0.938 1437 K CB 0.038 31.985 32.500 -0.921 0.000 0.724 1437 K HN 0.501 nan 8.250 nan 0.000 0.438 1438 Y N -0.013 120.277 120.300 -0.018 0.000 2.420 1438 Y HA 0.448 5.108 4.550 0.183 0.000 0.334 1438 Y C 0.211 176.097 175.900 -0.023 0.000 1.094 1438 Y CA -1.295 56.792 58.100 -0.021 0.000 1.126 1438 Y CB 1.171 39.619 38.460 -0.021 0.000 1.217 1438 Y HN 0.010 nan 8.280 nan 0.000 0.462 1439 A N 1.589 124.487 122.820 0.130 0.000 2.540 1439 A HA 0.162 4.592 4.320 0.183 0.000 0.239 1439 A C 0.434 178.036 177.584 0.030 0.000 1.061 1439 A CA -0.102 51.966 52.037 0.051 0.000 0.758 1439 A CB -0.053 18.965 19.000 0.029 0.000 0.991 1439 A HN 0.641 nan 8.150 nan 0.000 0.502 1440 S N 3.283 118.996 115.700 0.021 0.000 2.430 1440 S HA 0.358 4.938 4.470 0.183 0.000 0.282 1440 S C -1.320 173.254 174.600 -0.045 0.000 1.186 1440 S CA -1.328 56.878 58.200 0.011 0.000 1.060 1440 S CB 0.277 63.510 63.200 0.056 0.000 0.966 1440 S HN 0.504 nan 8.310 nan 0.000 0.501 1441 P HA -0.116 nan 4.420 nan 0.000 0.218 1441 P C 1.206 178.363 177.300 -0.238 0.000 1.146 1441 P CA 0.999 63.858 63.100 -0.400 0.000 0.813 1441 P CB -0.004 31.178 31.700 -0.863 0.000 0.778 1442 N N -0.580 118.115 118.700 -0.008 0.000 2.104 1442 N HA -0.136 4.714 4.740 0.183 0.000 0.190 1442 N C 1.651 177.283 175.510 0.203 0.000 1.024 1442 N CA 0.647 53.853 53.050 0.259 0.000 0.853 1442 N CB -0.343 38.330 38.487 0.310 0.000 1.008 1442 N HN 0.085 nan 8.380 nan 0.000 0.424 1443 L N 0.654 121.968 121.223 0.151 0.000 2.265 1443 L HA -0.103 4.347 4.340 0.183 0.000 0.215 1443 L C 0.518 177.395 176.870 0.011 0.000 1.117 1443 L CA 0.452 55.365 54.840 0.121 0.000 0.782 1443 L CB -0.420 41.700 42.059 0.103 0.000 0.914 1443 L HN 0.210 nan 8.230 nan 0.000 0.441 1444 N N 0.375 119.085 118.700 0.017 0.000 2.401 1444 N HA -0.012 4.838 4.740 0.183 0.000 0.255 1444 N C 0.827 176.342 175.510 0.008 0.000 1.110 1444 N CA 0.242 53.299 53.050 0.012 0.000 0.949 1444 N CB 0.852 39.350 38.487 0.018 0.000 1.110 1444 N HN 0.098 nan 8.380 nan 0.000 0.490 1445 M N 3.305 122.873 119.600 -0.052 0.000 2.108 1445 M HA -0.195 4.395 4.480 0.183 0.000 0.261 1445 M C 1.450 177.715 176.300 -0.058 0.000 1.066 1445 M CA 1.670 56.916 55.300 -0.090 0.000 1.107 1445 M CB 0.090 32.643 32.600 -0.079 0.000 1.356 1445 M HN 0.508 nan 8.290 nan 0.000 0.406 1446 K N -0.957 119.430 120.400 -0.022 0.000 2.113 1446 K HA -0.247 4.183 4.320 0.183 0.000 0.208 1446 K C 1.801 178.383 176.600 -0.030 0.000 1.047 1446 K CA 1.971 58.244 56.287 -0.024 0.000 0.928 1446 K CB -0.434 32.064 32.500 -0.004 0.000 0.716 1446 K HN 0.420 nan 8.250 nan 0.000 0.446 1447 Y N 1.603 121.828 120.300 -0.125 0.000 2.092 1447 Y HA -0.199 4.461 4.550 0.183 0.000 0.282 1447 Y C 2.067 177.808 175.900 -0.265 0.000 1.126 1447 Y CA 1.447 59.451 58.100 -0.160 0.000 1.111 1447 Y CB -0.181 38.212 38.460 -0.112 0.000 0.987 1447 Y HN -0.111 nan 8.280 nan 0.000 0.489 1448 R N 0.186 120.484 120.500 -0.337 0.000 2.113 1448 R HA -0.248 4.202 4.340 0.183 0.000 0.244 1448 R C 2.278 178.266 176.300 -0.520 0.000 1.142 1448 R CA 1.983 57.794 56.100 -0.481 0.000 0.953 1448 R CB -0.459 29.795 30.300 -0.077 0.000 0.860 1448 R HN 0.193 nan 8.270 nan 0.000 0.438 1449 K N 1.155 121.377 120.400 -0.296 0.000 2.103 1449 K HA -0.147 4.283 4.320 0.183 0.000 0.207 1449 K C 2.002 178.426 176.600 -0.293 0.000 1.048 1449 K CA 1.530 57.680 56.287 -0.228 0.000 0.930 1449 K CB -0.037 32.384 32.500 -0.132 0.000 0.716 1449 K HN 0.108 nan 8.250 nan 0.000 0.444 1450 R N -0.136 120.155 120.500 -0.349 0.000 2.073 1450 R HA -0.095 4.355 4.340 0.183 0.000 0.234 1450 R C 2.338 178.367 176.300 -0.452 0.000 1.134 1450 R CA 1.440 57.342 56.100 -0.329 0.000 0.952 1450 R CB -0.395 29.733 30.300 -0.286 0.000 0.850 1450 R HN 0.304 nan 8.270 nan 0.000 0.433 1451 Q N 0.853 120.187 119.800 -0.777 0.000 2.112 1451 Q HA -0.195 4.255 4.340 0.183 0.000 0.206 1451 Q C 2.232 177.782 176.000 -0.751 0.000 0.987 1451 Q CA 1.268 56.470 55.803 -1.001 0.000 0.858 1451 Q CB -0.477 27.022 28.738 -2.064 0.000 0.905 1451 Q HN 0.237 nan 8.270 nan 0.000 0.420 1452 L N 0.069 120.895 121.223 -0.662 0.000 2.017 1452 L HA -0.110 4.340 4.340 0.183 0.000 0.208 1452 L C 2.254 179.035 176.870 -0.149 0.000 1.073 1452 L CA 1.427 56.121 54.840 -0.244 0.000 0.745 1452 L CB -0.789 41.210 42.059 -0.100 0.000 0.894 1452 L HN -0.045 nan 8.230 nan 0.000 0.432 1453 V N -0.344 119.467 119.914 -0.172 0.000 2.469 1453 V HA -0.307 3.923 4.120 0.183 0.000 0.251 1453 V C 2.521 178.561 176.094 -0.091 0.000 1.064 1453 V CA 2.167 64.403 62.300 -0.108 0.000 1.066 1453 V CB -0.829 30.929 31.823 -0.108 0.000 0.667 1453 V HN 0.609 nan 8.190 nan 0.000 0.461 1454 T N -0.791 113.686 114.554 -0.129 0.000 2.674 1454 T HA -0.177 4.283 4.350 0.183 0.000 0.265 1454 T C 2.180 176.852 174.700 -0.046 0.000 1.039 1454 T CA 1.154 63.200 62.100 -0.090 0.000 1.150 1454 T CB -0.250 68.547 68.868 -0.119 0.000 0.864 1454 T HN 0.192 nan 8.240 nan 0.000 0.427 1455 R N 1.281 121.756 120.500 -0.041 0.000 2.105 1455 R HA -0.033 4.417 4.340 0.183 0.000 0.239 1455 R C 2.349 178.652 176.300 0.005 0.000 1.135 1455 R CA 1.223 57.327 56.100 0.006 0.000 0.967 1455 R CB -0.546 29.788 30.300 0.056 0.000 0.861 1455 R HN 0.611 nan 8.270 nan 0.000 0.442 1456 E N -0.265 119.932 120.200 -0.005 0.000 2.031 1456 E HA -0.156 4.304 4.350 0.183 0.000 0.193 1456 E C 1.944 178.555 176.600 0.019 0.000 0.994 1456 E CA 1.336 57.739 56.400 0.005 0.000 0.800 1456 E CB -0.118 29.579 29.700 -0.004 0.000 0.752 1456 E HN 0.303 nan 8.360 nan 0.000 0.447 1457 A N 1.302 124.128 122.820 0.010 0.000 1.877 1457 A HA -0.286 4.144 4.320 0.183 0.000 0.216 1457 A C 2.113 179.724 177.584 0.045 0.000 1.186 1457 A CA 1.792 53.843 52.037 0.023 0.000 0.620 1457 A CB -0.678 18.326 19.000 0.007 0.000 0.822 1457 A HN 0.212 nan 8.150 nan 0.000 0.443 1458 Q N -0.590 119.233 119.800 0.038 0.000 2.152 1458 Q HA -0.174 4.276 4.340 0.183 0.000 0.206 1458 Q C 1.918 177.979 176.000 0.101 0.000 0.985 1458 Q CA 1.851 57.690 55.803 0.060 0.000 0.863 1458 Q CB -0.268 28.492 28.738 0.037 0.000 0.904 1458 Q HN 0.767 nan 8.270 nan 0.000 0.422 1459 I N 0.063 120.679 120.570 0.075 0.000 2.353 1459 I HA -0.244 4.036 4.170 0.183 0.000 0.248 1459 I C 2.441 178.684 176.117 0.210 0.000 1.119 1459 I CA 0.846 62.209 61.300 0.105 0.000 1.417 1459 I CB -0.350 37.667 38.000 0.027 0.000 1.078 1459 I HN 0.221 nan 8.210 nan 0.000 0.421 1460 K N 1.619 122.102 120.400 0.139 0.000 2.020 1460 K HA -0.261 4.169 4.320 0.183 0.000 0.212 1460 K C 1.387 178.077 176.600 0.149 0.000 1.050 1460 K CA 2.582 58.947 56.287 0.131 0.000 0.929 1460 K CB -0.163 32.384 32.500 0.078 0.000 0.714 1460 K HN 0.417 nan 8.250 nan 0.000 0.443 1461 D N -1.509 118.972 120.400 0.134 0.000 2.349 1461 D HA -0.108 4.642 4.640 0.183 0.000 0.224 1461 D C 1.573 177.951 176.300 0.130 0.000 1.029 1461 D CA 0.066 54.127 54.000 0.102 0.000 0.879 1461 D CB -0.531 40.310 40.800 0.069 0.000 0.906 1461 D HN 0.449 nan 8.370 nan 0.000 0.528 1462 W N 1.250 122.560 121.300 0.018 0.000 2.409 1462 W HA -0.094 4.676 4.660 0.183 0.000 0.299 1462 W C 1.578 178.106 176.519 0.016 0.000 1.203 1462 W CA 1.180 58.535 57.345 0.016 0.000 1.298 1462 W CB 0.002 29.474 29.460 0.019 0.000 1.127 1462 W HN -0.127 nan 8.180 nan 0.000 0.528 1463 V N 0.922 120.997 119.914 0.268 0.000 2.453 1463 V HA -0.255 3.975 4.120 0.183 0.000 0.247 1463 V C 2.019 178.058 176.094 -0.093 0.000 1.048 1463 V CA 2.275 64.616 62.300 0.069 0.000 1.049 1463 V CB -1.023 30.972 31.823 0.286 0.000 0.672 1463 V HN 0.181 nan 8.190 nan 0.000 0.457 1464 E N 0.550 120.739 120.200 -0.019 0.000 2.051 1464 E HA -0.258 4.202 4.350 0.183 0.000 0.192 1464 E C 2.117 178.648 176.600 -0.114 0.000 0.991 1464 E CA 1.718 58.092 56.400 -0.043 0.000 0.799 1464 E CB -0.285 29.414 29.700 -0.002 0.000 0.748 1464 E HN 0.666 nan 8.360 nan 0.000 0.449 1465 N N -0.002 118.609 118.700 -0.148 0.000 2.166 1465 N HA -0.200 4.650 4.740 0.183 0.000 0.186 1465 N C 1.797 177.136 175.510 -0.285 0.000 1.019 1465 N CA 0.919 53.858 53.050 -0.186 0.000 0.856 1465 N CB 0.139 38.527 38.487 -0.166 0.000 0.993 1465 N HN 0.022 nan 8.380 nan 0.000 0.426 1466 E N 0.449 120.365 120.200 -0.473 0.000 2.072 1466 E HA -0.010 4.450 4.350 0.183 0.000 0.190 1466 E C 1.728 178.140 176.600 -0.313 0.000 0.982 1466 E CA 0.691 56.780 56.400 -0.518 0.000 0.803 1466 E CB -0.033 29.118 29.700 -0.915 0.000 0.755 1466 E HN 0.317 nan 8.360 nan 0.000 0.453 1467 L N 0.419 121.486 121.223 -0.260 0.000 2.201 1467 L HA -0.119 4.331 4.340 0.183 0.000 0.212 1467 L C 2.238 179.034 176.870 -0.125 0.000 1.105 1467 L CA 0.881 55.613 54.840 -0.181 0.000 0.775 1467 L CB -0.142 41.831 42.059 -0.145 0.000 0.913 1467 L HN 0.132 nan 8.230 nan 0.000 0.440 1468 E N 0.352 120.481 120.200 -0.118 0.000 2.047 1468 E HA -0.152 4.308 4.350 0.183 0.000 0.191 1468 E C 2.210 178.770 176.600 -0.068 0.000 0.987 1468 E CA 1.394 57.747 56.400 -0.078 0.000 0.799 1468 E CB -0.178 29.478 29.700 -0.072 0.000 0.752 1468 E HN 0.348 nan 8.360 nan 0.000 0.449 1469 A N 0.144 122.910 122.820 -0.090 0.000 2.070 1469 A HA -0.125 4.305 4.320 0.183 0.000 0.220 1469 A C 2.112 179.676 177.584 -0.034 0.000 1.159 1469 A CA 1.181 53.180 52.037 -0.063 0.000 0.656 1469 A CB -0.532 18.417 19.000 -0.085 0.000 0.800 1469 A HN 0.330 nan 8.150 nan 0.000 0.453 1470 L N -0.475 120.715 121.223 -0.055 0.000 2.109 1470 L HA -0.042 4.408 4.340 0.183 0.000 0.207 1470 L C 2.192 179.085 176.870 0.040 0.000 1.086 1470 L CA 1.952 56.778 54.840 -0.023 0.000 0.760 1470 L CB -0.380 41.612 42.059 -0.112 0.000 0.910 1470 L HN 0.299 nan 8.230 nan 0.000 0.437 1471 K N -0.713 119.691 120.400 0.006 0.000 2.063 1471 K HA -0.149 4.280 4.320 0.183 0.000 0.208 1471 K C 2.024 178.646 176.600 0.037 0.000 1.048 1471 K CA 1.584 57.886 56.287 0.024 0.000 0.928 1471 K CB -0.308 32.192 32.500 0.000 0.000 0.713 1471 K HN 0.306 nan 8.250 nan 0.000 0.442 1472 L N 0.856 122.092 121.223 0.022 0.000 2.275 1472 L HA -0.163 4.287 4.340 0.183 0.000 0.215 1472 L C 2.073 178.962 176.870 0.031 0.000 1.119 1472 L CA 1.094 55.945 54.840 0.018 0.000 0.790 1472 L CB -0.215 41.846 42.059 0.003 0.000 0.919 1472 L HN 0.269 nan 8.230 nan 0.000 0.443 1473 E N -0.086 120.155 120.200 0.069 0.000 2.122 1473 E HA -0.102 4.358 4.350 0.183 0.000 0.190 1473 E C 2.279 178.913 176.600 0.057 0.000 0.977 1473 E CA 0.933 57.385 56.400 0.087 0.000 0.820 1473 E CB 0.002 29.819 29.700 0.195 0.000 0.770 1473 E HN 0.457 nan 8.360 nan 0.000 0.462 1474 A N 1.376 124.291 122.820 0.158 0.000 1.968 1474 A HA -0.133 4.296 4.320 0.183 0.000 0.217 1474 A C 1.781 179.378 177.584 0.021 0.000 1.169 1474 A CA 0.830 52.932 52.037 0.108 0.000 0.638 1474 A CB -0.210 18.954 19.000 0.273 0.000 0.812 1474 A HN 0.090 nan 8.150 nan 0.000 0.446 1475 E N -1.029 119.187 120.200 0.026 0.000 2.516 1475 E HA -0.085 4.375 4.350 0.183 0.000 0.199 1475 E C 1.305 177.898 176.600 -0.011 0.000 1.069 1475 E CA 0.569 56.973 56.400 0.007 0.000 0.876 1475 E CB 0.121 29.827 29.700 0.010 0.000 0.843 1475 E HN 0.745 nan 8.360 nan 0.000 0.530 1476 E N -0.953 119.231 120.200 -0.027 0.000 2.617 1476 E HA 0.075 4.535 4.350 0.183 0.000 0.208 1476 E C 1.315 177.881 176.600 -0.057 0.000 0.888 1476 E CA 0.089 56.468 56.400 -0.034 0.000 1.485 1476 E CB 0.739 30.424 29.700 -0.025 0.000 1.482 1476 E HN 0.151 nan 8.360 nan 0.000 0.813 1477 I N 0.697 121.211 120.570 -0.092 0.000 4.530 1477 I HA 0.170 4.450 4.170 0.183 0.000 0.318 1477 I C -1.827 174.187 176.117 -0.170 0.000 1.257 1477 I CA -0.445 60.781 61.300 -0.123 0.000 1.301 1477 I CB 0.552 38.474 38.000 -0.129 0.000 1.297 1477 I HN -0.063 nan 8.210 nan 0.000 0.451 1478 P HA 0.330 nan 4.420 nan 0.000 0.284 1478 P C -0.360 176.865 177.300 -0.125 0.000 1.258 1478 P CA -0.066 62.880 63.100 -0.256 0.000 0.824 1478 P CB 1.161 32.599 31.700 -0.437 0.000 1.038 1479 S N 0.017 115.662 115.700 -0.092 0.000 2.546 1479 S HA 0.102 4.682 4.470 0.183 0.000 0.265 1479 S C 1.065 175.652 174.600 -0.022 0.000 1.190 1479 S CA -0.679 57.493 58.200 -0.047 0.000 1.014 1479 S CB 0.116 63.293 63.200 -0.037 0.000 1.087 1479 S HN 0.564 nan 8.310 nan 0.000 0.525 1480 E N 1.014 121.209 120.200 -0.009 0.000 2.502 1480 E HA -0.082 4.378 4.350 0.183 0.000 0.194 1480 E C -0.233 176.377 176.600 0.016 0.000 1.062 1480 E CA 0.118 56.521 56.400 0.006 0.000 0.867 1480 E CB -0.154 29.549 29.700 0.005 0.000 0.888 1480 E HN 0.556 nan 8.360 nan 0.000 0.510 1481 D N 0.357 120.765 120.400 0.013 0.000 3.038 1481 D HA -0.074 4.676 4.640 0.183 0.000 0.243 1481 D C 0.837 177.170 176.300 0.054 0.000 1.245 1481 D CA -0.040 53.976 54.000 0.027 0.000 0.871 1481 D CB 0.389 41.200 40.800 0.018 0.000 1.089 1481 D HN 0.140 nan 8.370 nan 0.000 0.464 1482 Q N -0.099 119.741 119.800 0.068 0.000 2.424 1482 Q HA 0.032 4.482 4.340 0.183 0.000 0.204 1482 Q C 1.253 177.342 176.000 0.149 0.000 0.933 1482 Q CA 0.057 55.936 55.803 0.127 0.000 0.929 1482 Q CB 0.163 28.966 28.738 0.107 0.000 1.037 1482 Q HN 0.143 nan 8.270 nan 0.000 0.511 1483 N N 0.713 119.469 118.700 0.094 0.000 2.166 1483 N HA -0.188 4.662 4.740 0.183 0.000 0.186 1483 N C 1.199 176.755 175.510 0.076 0.000 1.019 1483 N CA 1.189 54.282 53.050 0.072 0.000 0.856 1483 N CB 0.112 38.630 38.487 0.052 0.000 0.993 1483 N HN 0.365 nan 8.380 nan 0.000 0.426 1484 E N -0.912 119.345 120.200 0.095 0.000 2.276 1484 E HA -0.026 4.434 4.350 0.183 0.000 0.193 1484 E C 1.485 178.152 176.600 0.111 0.000 0.983 1484 E CA -0.138 56.316 56.400 0.089 0.000 0.861 1484 E CB 0.034 29.780 29.700 0.076 0.000 0.817 1484 E HN 0.202 nan 8.360 nan 0.000 0.485 1485 F N 1.131 121.090 119.950 0.015 0.000 2.171 1485 F HA -0.201 4.436 4.527 0.183 0.000 0.300 1485 F C 1.702 177.508 175.800 0.011 0.000 1.090 1485 F CA 1.051 59.057 58.000 0.010 0.000 1.293 1485 F CB 0.013 39.014 39.000 0.002 0.000 1.013 1485 F HN 0.036 nan 8.300 nan 0.000 0.486 1486 L N -0.163 120.996 121.223 -0.108 0.000 2.131 1486 L HA -0.116 4.334 4.340 0.183 0.000 0.206 1486 L C 2.451 179.232 176.870 -0.148 0.000 1.087 1486 L CA 1.195 55.916 54.840 -0.198 0.000 0.767 1486 L CB -1.209 40.827 42.059 -0.039 0.000 0.917 1486 L HN 0.334 nan 8.230 nan 0.000 0.441 1487 L N 0.194 121.387 121.223 -0.049 0.000 1.943 1487 L HA -0.269 4.181 4.340 0.183 0.000 0.215 1487 L C 2.475 179.348 176.870 0.005 0.000 1.074 1487 L CA 1.634 56.474 54.840 -0.001 0.000 0.759 1487 L CB -0.233 41.863 42.059 0.062 0.000 0.888 1487 L HN 0.266 nan 8.230 nan 0.000 0.433 1488 E N -0.653 119.566 120.200 0.031 0.000 2.171 1488 E HA -0.254 4.206 4.350 0.183 0.000 0.197 1488 E C 2.236 178.821 176.600 -0.024 0.000 0.997 1488 E CA 1.096 57.538 56.400 0.070 0.000 0.810 1488 E CB 0.002 29.726 29.700 0.040 0.000 0.738 1488 E HN 0.426 nan 8.360 nan 0.000 0.467 1489 R N -0.170 120.224 120.500 -0.178 0.000 2.057 1489 R HA -0.024 4.426 4.340 0.183 0.000 0.224 1489 R C 2.705 178.892 176.300 -0.189 0.000 1.136 1489 R CA 1.732 57.690 56.100 -0.237 0.000 0.968 1489 R CB -1.112 28.888 30.300 -0.499 0.000 0.863 1489 R HN 0.327 nan 8.270 nan 0.000 0.433 1490 T N -0.154 114.274 114.554 -0.210 0.000 2.788 1490 T HA -0.174 4.286 4.350 0.183 0.000 0.268 1490 T C 2.004 176.587 174.700 -0.194 0.000 1.044 1490 T CA 1.313 63.271 62.100 -0.238 0.000 1.139 1490 T CB -0.206 68.530 68.868 -0.221 0.000 0.867 1490 T HN 0.046 nan 8.240 nan 0.000 0.454 1491 R N 1.930 122.376 120.500 -0.090 0.000 2.094 1491 R HA -0.135 4.315 4.340 0.183 0.000 0.239 1491 R C 2.376 178.676 176.300 -0.000 0.000 1.137 1491 R CA 2.358 58.435 56.100 -0.038 0.000 0.943 1491 R CB -0.977 29.289 30.300 -0.056 0.000 0.850 1491 R HN 0.654 nan 8.270 nan 0.000 0.433 1492 E N -0.356 119.849 120.200 0.009 0.000 2.110 1492 E HA -0.147 4.313 4.350 0.183 0.000 0.193 1492 E C 1.962 178.601 176.600 0.064 0.000 0.988 1492 E CA 1.580 58.007 56.400 0.046 0.000 0.804 1492 E CB -0.128 29.598 29.700 0.044 0.000 0.745 1492 E HN 0.503 nan 8.360 nan 0.000 0.458 1493 I N -0.010 120.563 120.570 0.004 0.000 2.179 1493 I HA -0.293 3.987 4.170 0.183 0.000 0.242 1493 I C 2.102 178.321 176.117 0.170 0.000 1.088 1493 I CA 1.534 62.861 61.300 0.045 0.000 1.357 1493 I CB -0.434 37.472 38.000 -0.157 0.000 1.051 1493 I HN 0.274 nan 8.210 nan 0.000 0.409 1494 H N 0.198 119.319 119.070 0.085 0.000 2.423 1494 H HA -0.096 4.570 4.556 0.183 0.000 0.297 1494 H C 2.104 177.472 175.328 0.067 0.000 1.075 1494 H CA 1.177 57.271 56.048 0.077 0.000 1.342 1494 H CB 0.024 29.803 29.762 0.028 0.000 1.395 1494 H HN 0.398 nan 8.280 nan 0.000 0.530 1495 N N 0.635 119.438 118.700 0.171 0.000 2.013 1495 N HA -0.183 4.666 4.740 0.183 0.000 0.195 1495 N C 1.642 177.209 175.510 0.095 0.000 1.051 1495 N CA 1.418 54.530 53.050 0.103 0.000 0.851 1495 N CB 0.016 38.549 38.487 0.077 0.000 1.044 1495 N HN 0.431 nan 8.380 nan 0.000 0.422 1496 E N 0.684 120.956 120.200 0.119 0.000 2.147 1496 E HA -0.262 4.198 4.350 0.183 0.000 0.199 1496 E C 2.039 178.630 176.600 -0.015 0.000 1.005 1496 E CA 1.110 57.553 56.400 0.071 0.000 0.810 1496 E CB -0.181 29.633 29.700 0.191 0.000 0.736 1496 E HN 0.427 nan 8.360 nan 0.000 0.460 1497 A N 1.741 124.647 122.820 0.143 0.000 1.858 1497 A HA -0.241 4.189 4.320 0.183 0.000 0.216 1497 A C 2.043 179.643 177.584 0.027 0.000 1.190 1497 A CA 1.439 53.545 52.037 0.115 0.000 0.617 1497 A CB -0.404 18.792 19.000 0.328 0.000 0.827 1497 A HN 0.142 nan 8.150 nan 0.000 0.443 1498 E N -0.516 119.716 120.200 0.053 0.000 2.153 1498 E HA -0.141 4.319 4.350 0.183 0.000 0.194 1498 E C 2.287 178.883 176.600 -0.006 0.000 0.988 1498 E CA 1.121 57.533 56.400 0.020 0.000 0.811 1498 E CB -0.182 29.532 29.700 0.024 0.000 0.746 1498 E HN 0.583 nan 8.360 nan 0.000 0.466 1499 S N 0.668 116.359 115.700 -0.015 0.000 2.368 1499 S HA -0.200 4.380 4.470 0.183 0.000 0.225 1499 S C 1.947 176.506 174.600 -0.067 0.000 1.030 1499 S CA 1.235 59.414 58.200 -0.034 0.000 0.999 1499 S CB 0.002 63.182 63.200 -0.032 0.000 0.844 1499 S HN 0.242 nan 8.310 nan 0.000 0.459 1500 Q N 0.091 119.820 119.800 -0.118 0.000 2.084 1500 Q HA -0.071 4.379 4.340 0.183 0.000 0.202 1500 Q C 2.290 178.237 176.000 -0.088 0.000 0.978 1500 Q CA 1.449 57.159 55.803 -0.155 0.000 0.844 1500 Q CB -0.292 28.274 28.738 -0.286 0.000 0.898 1500 Q HN 0.521 nan 8.270 nan 0.000 0.426 1501 L N 0.279 121.468 121.223 -0.057 0.000 2.093 1501 L HA -0.166 4.284 4.340 0.183 0.000 0.208 1501 L C 2.401 179.267 176.870 -0.006 0.000 1.085 1501 L CA 1.035 55.863 54.840 -0.020 0.000 0.755 1501 L CB 0.015 42.072 42.059 -0.004 0.000 0.904 1501 L HN 0.025 nan 8.230 nan 0.000 0.435 1502 R N -0.220 120.272 120.500 -0.013 0.000 2.115 1502 R HA -0.049 4.401 4.340 0.183 0.000 0.230 1502 R C 2.096 178.388 176.300 -0.014 0.000 1.111 1502 R CA 1.380 57.476 56.100 -0.006 0.000 0.976 1502 R CB -0.613 29.683 30.300 -0.007 0.000 0.870 1502 R HN 0.489 nan 8.270 nan 0.000 0.445 1503 A N -0.525 122.276 122.820 -0.031 0.000 1.970 1503 A HA 0.119 4.549 4.320 0.183 0.000 0.216 1503 A C 2.172 179.732 177.584 -0.039 0.000 1.170 1503 A CA 1.247 53.256 52.037 -0.047 0.000 0.645 1503 A CB -0.528 18.433 19.000 -0.066 0.000 0.816 1503 A HN 0.347 nan 8.150 nan 0.000 0.447 1504 A N -0.421 122.397 122.820 -0.003 0.000 1.897 1504 A HA -0.146 4.284 4.320 0.183 0.000 0.215 1504 A C 2.087 179.737 177.584 0.110 0.000 1.181 1504 A CA 1.389 53.467 52.037 0.068 0.000 0.620 1504 A CB -0.568 18.487 19.000 0.093 0.000 0.821 1504 A HN 0.589 nan 8.150 nan 0.000 0.443 1505 Q N -0.749 119.093 119.800 0.069 0.000 2.077 1505 Q HA -0.318 4.132 4.340 0.183 0.000 0.206 1505 Q C 2.319 178.351 176.000 0.052 0.000 0.989 1505 Q CA 2.037 57.881 55.803 0.069 0.000 0.853 1505 Q CB -0.254 28.508 28.738 0.040 0.000 0.907 1505 Q HN 0.855 nan 8.270 nan 0.000 0.418 1506 Q N 0.692 120.495 119.800 0.004 0.000 2.020 1506 Q HA -0.285 4.164 4.340 0.183 0.000 0.202 1506 Q C 2.174 178.127 176.000 -0.078 0.000 0.982 1506 Q CA 1.898 57.679 55.803 -0.036 0.000 0.838 1506 Q CB -0.021 28.680 28.738 -0.062 0.000 0.899 1506 Q HN 0.255 nan 8.270 nan 0.000 0.423 1507 Q N -0.623 119.087 119.800 -0.149 0.000 2.135 1507 Q HA -0.179 4.271 4.340 0.183 0.000 0.204 1507 Q C 0.930 176.665 176.000 -0.443 0.000 0.981 1507 Q CA 2.172 57.753 55.803 -0.370 0.000 0.856 1507 Q CB -0.333 28.089 28.738 -0.526 0.000 0.902 1507 Q HN 0.576 nan 8.270 nan 0.000 0.425 1508 W N -2.168 119.145 121.300 0.021 0.000 2.993 1508 W HA 0.442 5.212 4.660 0.183 0.000 0.290 1508 W C 1.726 178.248 176.519 0.004 0.000 1.203 1508 W CA 0.009 57.358 57.345 0.006 0.000 1.582 1508 W CB 0.568 29.984 29.460 -0.074 0.000 1.033 1508 W HN 0.254 nan 8.180 nan 0.000 0.594 1509 G N -0.305 108.629 108.800 0.224 0.000 2.853 1509 G HA2 -0.064 4.006 3.960 0.183 0.000 0.202 1509 G HA3 -0.064 4.006 3.960 0.183 0.000 0.202 1509 G C 1.231 176.258 174.900 0.211 0.000 1.118 1509 G CA 0.304 45.495 45.100 0.151 0.000 0.831 1509 G HN 0.021 nan 8.290 nan 0.000 0.613 1510 N N 0.780 119.554 118.700 0.122 0.000 2.258 1510 N HA -0.021 4.829 4.740 0.183 0.000 0.183 1510 N C 0.206 175.673 175.510 -0.072 0.000 1.029 1510 N CA 0.913 53.988 53.050 0.043 0.000 0.857 1510 N CB 0.321 38.799 38.487 -0.016 0.000 1.008 1510 N HN 0.051 nan 8.380 nan 0.000 0.433 1511 D N 0.667 120.962 120.400 -0.174 0.000 2.593 1511 D HA 0.083 4.833 4.640 0.183 0.000 0.241 1511 D C 0.959 176.943 176.300 -0.526 0.000 1.257 1511 D CA -0.296 53.407 54.000 -0.496 0.000 0.828 1511 D CB -0.117 40.469 40.800 -0.357 0.000 1.049 1511 D HN 0.279 nan 8.370 nan 0.000 0.490 1512 F N 0.221 120.000 119.950 -0.285 0.000 2.333 1512 F HA -0.180 4.457 4.527 0.183 0.000 0.300 1512 F C 1.670 177.419 175.800 -0.085 0.000 1.083 1512 F CA 0.548 58.452 58.000 -0.160 0.000 1.395 1512 F CB -0.901 38.131 39.000 0.053 0.000 1.056 1512 F HN 0.007 nan 8.300 nan 0.000 0.529 1513 Y N -1.041 118.828 120.300 -0.718 0.000 2.467 1513 Y HA 0.425 5.084 4.550 0.183 0.000 0.250 1513 Y C 1.940 177.673 175.900 -0.278 0.000 1.155 1513 Y CA -0.994 56.813 58.100 -0.488 0.000 1.249 1513 Y CB -0.873 37.156 38.460 -0.718 0.000 1.146 1513 Y HN -0.011 nan 8.280 nan 0.000 0.524 1514 K N 1.257 121.324 120.400 -0.555 0.000 2.020 1514 K HA -0.183 4.247 4.320 0.183 0.000 0.212 1514 K C 1.249 177.751 176.600 -0.165 0.000 1.050 1514 K CA 1.766 57.836 56.287 -0.360 0.000 0.929 1514 K CB -0.007 32.261 32.500 -0.386 0.000 0.714 1514 K HN 0.194 nan 8.250 nan 0.000 0.443 1515 R N 0.853 121.264 120.500 -0.149 0.000 2.335 1515 R HA 0.084 4.534 4.340 0.183 0.000 0.223 1515 R C -0.600 175.676 176.300 -0.040 0.000 0.940 1515 R CA 0.134 56.181 56.100 -0.088 0.000 1.086 1515 R CB -0.083 30.161 30.300 -0.093 0.000 1.073 1515 R HN 0.152 nan 8.270 nan 0.000 0.504 1516 D N -0.585 119.805 120.400 -0.016 0.000 2.233 1516 D HA 0.194 4.944 4.640 0.183 0.000 0.240 1516 D C -1.959 174.360 176.300 0.031 0.000 1.074 1516 D CA -2.365 51.653 54.000 0.031 0.000 0.838 1516 D CB 1.951 42.799 40.800 0.080 0.000 1.124 1516 D HN -0.100 nan 8.370 nan 0.000 0.475 1517 P HA 0.197 nan 4.420 nan 0.000 0.251 1517 P C 0.608 177.943 177.300 0.060 0.000 1.223 1517 P CA 0.289 63.403 63.100 0.024 0.000 0.796 1517 P CB 0.484 32.185 31.700 0.001 0.000 1.068 1518 R N -0.579 119.964 120.500 0.072 0.000 2.290 1518 R HA 0.299 4.749 4.340 0.183 0.000 0.197 1518 R C 0.516 176.853 176.300 0.061 0.000 0.913 1518 R CA 0.200 56.348 56.100 0.080 0.000 1.040 1518 R CB 0.233 30.590 30.300 0.095 0.000 0.992 1518 R HN 0.199 nan 8.270 nan 0.000 0.500 1519 I N 1.652 122.253 120.570 0.051 0.000 2.354 1519 I HA 0.327 4.607 4.170 0.183 0.000 0.286 1519 I C 0.073 176.179 176.117 -0.019 0.000 1.007 1519 I CA -0.938 60.371 61.300 0.015 0.000 1.167 1519 I CB 1.594 39.615 38.000 0.035 0.000 1.320 1519 I HN -0.009 nan 8.210 nan 0.000 0.458 1520 A N 8.259 131.051 122.820 -0.048 0.000 2.366 1520 A HA 0.384 4.814 4.320 0.183 0.000 0.249 1520 A C -1.647 175.866 177.584 -0.117 0.000 1.084 1520 A CA -0.998 51.008 52.037 -0.051 0.000 0.794 1520 A CB -0.053 18.928 19.000 -0.032 0.000 1.034 1520 A HN 0.524 nan 8.150 nan 0.000 0.491 1521 P HA -0.176 nan 4.420 nan 0.000 0.215 1521 P C 1.647 178.844 177.300 -0.171 0.000 1.157 1521 P CA 0.867 63.926 63.100 -0.068 0.000 0.874 1521 P CB 0.032 31.724 31.700 -0.014 0.000 0.790 1522 L N -1.310 119.840 121.223 -0.122 0.000 2.046 1522 L HA -0.197 4.253 4.340 0.183 0.000 0.208 1522 L C 2.722 179.497 176.870 -0.159 0.000 1.077 1522 L CA 1.578 56.349 54.840 -0.116 0.000 0.747 1522 L CB -0.365 41.647 42.059 -0.077 0.000 0.896 1522 L HN -0.093 nan 8.230 nan 0.000 0.432 1523 R N -0.094 120.304 120.500 -0.171 0.000 2.097 1523 R HA -0.180 4.270 4.340 0.183 0.000 0.236 1523 R C 2.057 178.185 176.300 -0.287 0.000 1.135 1523 R CA 1.858 57.852 56.100 -0.177 0.000 0.934 1523 R CB -1.185 29.029 30.300 -0.144 0.000 0.846 1523 R HN 0.491 nan 8.270 nan 0.000 0.431 1524 G N -0.262 108.170 108.800 -0.613 0.000 2.421 1524 G HA2 -0.139 3.931 3.960 0.183 0.000 0.217 1524 G HA3 -0.139 3.931 3.960 0.183 0.000 0.217 1524 G C 1.584 175.965 174.900 -0.865 0.000 1.143 1524 G CA 0.808 45.206 45.100 -1.171 0.000 0.784 1524 G HN 0.467 nan 8.290 nan 0.000 0.541 1525 A N 0.921 123.401 122.820 -0.566 0.000 1.892 1525 A HA -0.027 4.403 4.320 0.183 0.000 0.218 1525 A C 2.417 179.992 177.584 -0.015 0.000 1.188 1525 A CA 1.493 53.440 52.037 -0.150 0.000 0.631 1525 A CB -0.476 18.478 19.000 -0.076 0.000 0.822 1525 A HN 0.360 nan 8.150 nan 0.000 0.447 1526 L N -1.072 120.116 121.223 -0.058 0.000 2.072 1526 L HA -0.120 4.330 4.340 0.183 0.000 0.205 1526 L C 3.068 179.952 176.870 0.023 0.000 1.079 1526 L CA 0.908 55.748 54.840 -0.000 0.000 0.752 1526 L CB -0.613 41.421 42.059 -0.043 0.000 0.906 1526 L HN 0.425 nan 8.230 nan 0.000 0.436 1527 A N 0.337 123.151 122.820 -0.011 0.000 2.024 1527 A HA -0.244 4.186 4.320 0.183 0.000 0.220 1527 A C 2.432 180.105 177.584 0.148 0.000 1.164 1527 A CA 2.217 54.304 52.037 0.083 0.000 0.643 1527 A CB -0.995 18.101 19.000 0.159 0.000 0.806 1527 A HN 0.544 nan 8.150 nan 0.000 0.451 1528 T N -3.729 110.906 114.554 0.134 0.000 2.929 1528 T HA -0.152 4.308 4.350 0.183 0.000 0.271 1528 T C 1.224 175.732 174.700 -0.320 0.000 1.085 1528 T CA 1.487 63.599 62.100 0.020 0.000 1.125 1528 T CB -0.531 68.281 68.868 -0.092 0.000 0.874 1528 T HN 0.524 nan 8.240 nan 0.000 0.494 1529 Y N 1.046 121.362 120.300 0.028 0.000 2.524 1529 Y HA 0.516 5.176 4.550 0.183 0.000 0.266 1529 Y C 1.807 177.656 175.900 -0.083 0.000 1.180 1529 Y CA -0.660 57.413 58.100 -0.045 0.000 1.244 1529 Y CB 0.029 38.392 38.460 -0.162 0.000 1.125 1529 Y HN 0.361 nan 8.280 nan 0.000 0.524 1530 G N 0.867 109.687 108.800 0.034 0.000 2.160 1530 G HA2 -0.271 3.799 3.960 0.183 0.000 0.244 1530 G HA3 -0.271 3.799 3.960 0.183 0.000 0.244 1530 G C -0.284 174.608 174.900 -0.013 0.000 1.022 1530 G CA -0.130 44.982 45.100 0.020 0.000 0.741 1530 G HN 0.283 nan 8.290 nan 0.000 0.508 1531 L N 1.006 122.205 121.223 -0.041 0.000 2.322 1531 L HA 0.702 5.152 4.340 0.183 0.000 0.279 1531 L C 1.158 178.013 176.870 -0.025 0.000 1.036 1531 L CA -0.295 54.502 54.840 -0.071 0.000 0.807 1531 L CB 1.794 43.765 42.059 -0.147 0.000 1.226 1531 L HN 0.376 nan 8.230 nan 0.000 0.433 1532 T N -1.107 113.441 114.554 -0.011 0.000 2.936 1532 T HA 0.306 4.766 4.350 0.183 0.000 0.282 1532 T C 1.349 176.047 174.700 -0.003 0.000 1.003 1532 T CA -0.791 61.309 62.100 0.001 0.000 1.005 1532 T CB 1.211 70.090 68.868 0.019 0.000 1.097 1532 T HN 0.357 nan 8.240 nan 0.000 0.532 1533 I N 0.808 121.375 120.570 -0.006 0.000 2.335 1533 I HA -0.132 4.147 4.170 0.183 0.000 0.251 1533 I C 1.811 177.932 176.117 0.006 0.000 1.129 1533 I CA 1.502 62.795 61.300 -0.012 0.000 1.402 1533 I CB -0.921 37.066 38.000 -0.021 0.000 1.069 1533 I HN 0.743 nan 8.210 nan 0.000 0.424 1534 D N 0.566 120.982 120.400 0.028 0.000 2.310 1534 D HA -0.152 4.598 4.640 0.183 0.000 0.212 1534 D C 1.463 177.799 176.300 0.060 0.000 0.965 1534 D CA 0.791 54.819 54.000 0.046 0.000 0.879 1534 D CB -0.014 40.849 40.800 0.104 0.000 0.921 1534 D HN 0.375 nan 8.370 nan 0.000 0.510 1535 D N 0.319 120.747 120.400 0.047 0.000 2.234 1535 D HA -0.049 4.701 4.640 0.183 0.000 0.205 1535 D C 1.023 177.352 176.300 0.049 0.000 0.962 1535 D CA -0.037 53.995 54.000 0.053 0.000 0.855 1535 D CB 0.042 40.853 40.800 0.020 0.000 0.951 1535 D HN 0.151 nan 8.370 nan 0.000 0.500 1536 L N 1.494 122.732 121.223 0.026 0.000 2.699 1536 L HA 0.125 4.575 4.340 0.183 0.000 0.283 1536 L C 1.414 178.312 176.870 0.046 0.000 1.166 1536 L CA 0.046 54.898 54.840 0.021 0.000 1.043 1536 L CB 0.414 42.471 42.059 -0.003 0.000 1.369 1536 L HN -0.099 nan 8.230 nan 0.000 0.462 1537 G N 3.807 112.649 108.800 0.070 0.000 2.408 1537 G HA2 0.065 4.135 3.960 0.183 0.000 0.213 1537 G HA3 0.065 4.135 3.960 0.183 0.000 0.213 1537 G C 0.313 175.266 174.900 0.088 0.000 1.177 1537 G CA 0.238 45.398 45.100 0.100 0.000 0.802 1537 G HN 0.388 nan 8.290 nan 0.000 0.533 1538 V N 0.704 120.655 119.914 0.062 0.000 2.513 1538 V HA 0.719 4.949 4.120 0.183 0.000 0.299 1538 V C -0.304 175.793 176.094 0.004 0.000 1.035 1538 V CA -0.816 61.513 62.300 0.048 0.000 0.889 1538 V CB 1.590 33.444 31.823 0.052 0.000 0.988 1538 V HN 0.395 nan 8.190 nan 0.000 0.440 1539 A N 2.847 125.664 122.820 -0.005 0.000 2.267 1539 A HA 0.611 5.041 4.320 0.183 0.000 0.315 1539 A C 0.105 177.630 177.584 -0.099 0.000 1.297 1539 A CA -0.320 51.651 52.037 -0.110 0.000 0.865 1539 A CB 1.072 19.952 19.000 -0.200 0.000 1.165 1539 A HN 0.725 nan 8.150 nan 0.000 0.513 1540 S N 3.148 118.781 115.700 -0.111 0.000 2.416 1540 S HA 0.459 5.039 4.470 0.183 0.000 0.302 1540 S C -0.359 174.189 174.600 -0.087 0.000 1.120 1540 S CA -0.238 57.926 58.200 -0.060 0.000 1.067 1540 S CB -0.922 62.271 63.200 -0.012 0.000 1.057 1540 S HN 0.368 nan 8.310 nan 0.000 0.518 1541 F N 3.433 123.245 119.950 -0.229 0.000 2.459 1541 F HA 0.243 4.880 4.527 0.183 0.000 0.346 1541 F C 1.746 177.591 175.800 0.075 0.000 1.128 1541 F CA -0.140 57.803 58.000 -0.095 0.000 1.268 1541 F CB 0.467 39.346 39.000 -0.203 0.000 1.161 1541 F HN 0.661 nan 8.300 nan 0.000 0.583 1542 H N 2.367 121.551 119.070 0.190 0.000 2.267 1542 H HA -0.016 4.650 4.556 0.183 0.000 0.297 1542 H C 1.468 176.888 175.328 0.153 0.000 1.080 1542 H CA 1.178 57.296 56.048 0.117 0.000 1.278 1542 H CB -0.676 29.148 29.762 0.103 0.000 1.365 1542 H HN 0.727 nan 8.280 nan 0.000 0.489 1543 G N 0.127 109.119 108.800 0.320 0.000 2.296 1543 G HA2 -0.288 3.782 3.960 0.183 0.000 0.263 1543 G HA3 -0.288 3.782 3.960 0.183 0.000 0.263 1543 G C 0.895 175.841 174.900 0.075 0.000 0.887 1543 G CA 0.763 46.061 45.100 0.331 0.000 1.318 1543 G HN 0.555 nan 8.290 nan 0.000 0.403 1544 T N -0.167 114.350 114.554 -0.062 0.000 2.985 1544 T HA 0.164 4.624 4.350 0.183 0.000 0.266 1544 T C 1.784 176.513 174.700 0.047 0.000 1.076 1544 T CA 1.774 63.786 62.100 -0.147 0.000 1.135 1544 T CB -0.008 68.749 68.868 -0.184 0.000 0.890 1544 T HN 2.006 nan 8.240 nan 0.000 0.480 1545 S N 0.747 116.471 115.700 0.039 0.000 3.034 1545 S HA -0.145 4.435 4.470 0.183 0.000 0.273 1545 S C 0.330 174.953 174.600 0.039 0.000 1.337 1545 S CA 0.728 58.948 58.200 0.034 0.000 0.994 1545 S CB -2.178 61.063 63.200 0.070 0.000 1.228 1545 S HN 0.823 nan 8.310 nan 0.000 0.696 1546 T N -0.720 113.864 114.554 0.050 0.000 2.934 1546 T HA 0.622 5.082 4.350 0.183 0.000 0.283 1546 T C 0.885 175.582 174.700 -0.005 0.000 1.005 1546 T CA -0.310 61.816 62.100 0.044 0.000 1.041 1546 T CB 1.484 70.403 68.868 0.086 0.000 1.042 1546 T HN 0.255 nan 8.240 nan 0.000 0.505 1547 K N 0.613 121.006 120.400 -0.012 0.000 2.031 1547 K HA 0.070 4.500 4.320 0.183 0.000 0.205 1547 K C 2.618 179.203 176.600 -0.025 0.000 1.049 1547 K CA 1.141 57.413 56.287 -0.025 0.000 0.939 1547 K CB -0.643 31.842 32.500 -0.024 0.000 0.717 1547 K HN 0.734 nan 8.250 nan 0.000 0.438 1548 A N 1.679 124.487 122.820 -0.021 0.000 1.859 1548 A HA -0.341 4.089 4.320 0.183 0.000 0.218 1548 A C 1.940 179.487 177.584 -0.062 0.000 1.209 1548 A CA 2.437 54.454 52.037 -0.033 0.000 0.639 1548 A CB -1.195 17.785 19.000 -0.032 0.000 0.835 1548 A HN 0.486 nan 8.150 nan 0.000 0.450 1549 N N -0.658 117.998 118.700 -0.073 0.000 2.039 1549 N HA -0.186 4.664 4.740 0.183 0.000 0.193 1549 N C 1.341 176.779 175.510 -0.121 0.000 1.044 1549 N CA 1.876 54.848 53.050 -0.130 0.000 0.847 1549 N CB -0.269 38.160 38.487 -0.096 0.000 1.030 1549 N HN 0.405 nan 8.380 nan 0.000 0.422 1550 D N 0.041 120.407 120.400 -0.056 0.000 2.133 1550 D HA -0.199 4.551 4.640 0.183 0.000 0.195 1550 D C 1.742 178.018 176.300 -0.040 0.000 0.997 1550 D CA 1.051 55.036 54.000 -0.025 0.000 0.840 1550 D CB -0.247 40.514 40.800 -0.066 0.000 0.947 1550 D HN 0.423 nan 8.370 nan 0.000 0.452 1551 K N 0.496 120.869 120.400 -0.046 0.000 2.001 1551 K HA -0.197 4.233 4.320 0.183 0.000 0.208 1551 K C 1.927 178.476 176.600 -0.084 0.000 1.048 1551 K CA 1.419 57.692 56.287 -0.023 0.000 0.932 1551 K CB -0.126 32.401 32.500 0.045 0.000 0.715 1551 K HN -0.051 nan 8.250 nan 0.000 0.437 1552 N N 1.012 119.663 118.700 -0.082 0.000 2.021 1552 N HA -0.287 4.563 4.740 0.183 0.000 0.198 1552 N C 1.758 177.173 175.510 -0.159 0.000 1.041 1552 N CA 2.309 55.294 53.050 -0.108 0.000 0.862 1552 N CB -0.259 38.144 38.487 -0.139 0.000 1.048 1552 N HN 0.400 nan 8.380 nan 0.000 0.427 1553 E N -0.694 119.365 120.200 -0.235 0.000 2.118 1553 E HA -0.172 4.288 4.350 0.183 0.000 0.195 1553 E C 1.773 178.425 176.600 0.086 0.000 0.992 1553 E CA 1.346 57.644 56.400 -0.170 0.000 0.804 1553 E CB -0.157 29.452 29.700 -0.150 0.000 0.741 1553 E HN 0.394 nan 8.360 nan 0.000 0.458 1554 S N 0.100 115.834 115.700 0.057 0.000 2.348 1554 S HA -0.170 4.409 4.470 0.183 0.000 0.221 1554 S C 2.005 176.285 174.600 -0.533 0.000 1.033 1554 S CA 1.001 59.151 58.200 -0.084 0.000 1.010 1554 S CB -0.350 62.655 63.200 -0.326 0.000 0.891 1554 S HN 0.506 nan 8.310 nan 0.000 0.442 1555 A N 0.959 123.292 122.820 -0.811 0.000 1.873 1555 A HA -0.216 4.214 4.320 0.183 0.000 0.218 1555 A C 2.378 179.927 177.584 -0.059 0.000 1.193 1555 A CA 2.618 54.419 52.037 -0.394 0.000 0.629 1555 A CB -1.639 17.373 19.000 0.019 0.000 0.826 1555 A HN 0.567 nan 8.150 nan 0.000 0.447 1556 T N -1.207 113.328 114.554 -0.031 0.000 2.746 1556 T HA -0.105 4.355 4.350 0.183 0.000 0.267 1556 T C 1.780 176.489 174.700 0.015 0.000 1.039 1556 T CA 1.562 63.680 62.100 0.031 0.000 1.142 1556 T CB -0.402 68.526 68.868 0.100 0.000 0.866 1556 T HN 0.226 nan 8.240 nan 0.000 0.444 1557 I N 2.032 122.601 120.570 -0.002 0.000 2.286 1557 I HA -0.075 4.204 4.170 0.183 0.000 0.248 1557 I C 2.477 178.601 176.117 0.012 0.000 1.115 1557 I CA 1.390 62.670 61.300 -0.033 0.000 1.392 1557 I CB -1.667 36.272 38.000 -0.102 0.000 1.065 1557 I HN 0.412 nan 8.210 nan 0.000 0.418 1558 N N 1.049 119.785 118.700 0.060 0.000 2.104 1558 N HA -0.250 4.600 4.740 0.183 0.000 0.190 1558 N C 1.813 177.342 175.510 0.032 0.000 1.024 1558 N CA 1.558 54.692 53.050 0.141 0.000 0.853 1558 N CB 0.044 38.730 38.487 0.331 0.000 1.008 1558 N HN 0.160 nan 8.380 nan 0.000 0.424 1559 E N 0.136 120.361 120.200 0.042 0.000 2.072 1559 E HA -0.100 4.360 4.350 0.183 0.000 0.190 1559 E C 2.010 178.597 176.600 -0.021 0.000 0.982 1559 E CA 1.309 57.716 56.400 0.012 0.000 0.803 1559 E CB -0.234 29.484 29.700 0.030 0.000 0.755 1559 E HN 0.636 nan 8.360 nan 0.000 0.453 1560 M N -1.431 118.157 119.600 -0.021 0.000 2.279 1560 M HA -0.092 4.498 4.480 0.183 0.000 0.264 1560 M C 1.715 177.985 176.300 -0.049 0.000 1.062 1560 M CA 1.253 56.544 55.300 -0.014 0.000 1.099 1560 M CB -0.274 32.310 32.600 -0.026 0.000 1.394 1560 M HN 0.012 nan 8.290 nan 0.000 0.426 1561 M N 1.122 120.649 119.600 -0.122 0.000 2.156 1561 M HA -0.016 4.574 4.480 0.183 0.000 0.264 1561 M C 2.216 178.272 176.300 -0.407 0.000 1.067 1561 M CA 1.609 56.773 55.300 -0.226 0.000 1.131 1561 M CB -1.042 31.419 32.600 -0.231 0.000 1.368 1561 M HN 0.394 nan 8.290 nan 0.000 0.416 1562 K N -0.848 119.246 120.400 -0.509 0.000 2.026 1562 K HA -0.240 4.190 4.320 0.183 0.000 0.208 1562 K C 2.114 178.637 176.600 -0.128 0.000 1.048 1562 K CA 1.666 57.668 56.287 -0.475 0.000 0.929 1562 K CB -0.198 32.147 32.500 -0.259 0.000 0.713 1562 K HN 0.225 nan 8.250 nan 0.000 0.439 1563 H N 0.451 119.450 119.070 -0.118 0.000 2.387 1563 H HA -0.023 4.643 4.556 0.183 0.000 0.299 1563 H C 1.571 176.923 175.328 0.040 0.000 1.090 1563 H CA 1.559 57.605 56.048 -0.004 0.000 1.332 1563 H CB 0.005 29.773 29.762 0.009 0.000 1.386 1563 H HN 0.132 nan 8.280 nan 0.000 0.516 1564 L N -1.307 119.882 121.223 -0.057 0.000 2.558 1564 L HA 0.189 4.639 4.340 0.183 0.000 0.225 1564 L C 1.256 178.066 176.870 -0.099 0.000 1.128 1564 L CA 0.557 55.343 54.840 -0.091 0.000 0.868 1564 L CB 0.302 42.330 42.059 -0.052 0.000 1.006 1564 L HN 0.602 nan 8.230 nan 0.000 0.454 1565 G N 0.149 108.884 108.800 -0.107 0.000 2.141 1565 G HA2 -0.202 3.868 3.960 0.183 0.000 0.195 1565 G HA3 -0.202 3.868 3.960 0.183 0.000 0.195 1565 G C 0.135 175.026 174.900 -0.014 0.000 1.012 1565 G CA -0.638 44.418 45.100 -0.073 0.000 0.696 1565 G HN 0.080 nan 8.290 nan 0.000 0.508 1566 R N 1.119 121.603 120.500 -0.028 0.000 2.504 1566 R HA 0.219 4.669 4.340 0.183 0.000 0.291 1566 R C 0.797 177.223 176.300 0.210 0.000 0.974 1566 R CA 0.535 56.681 56.100 0.077 0.000 1.077 1566 R CB 0.009 30.358 30.300 0.082 0.000 0.926 1566 R HN 0.380 nan 8.270 nan 0.000 0.407 1567 S N 3.867 119.624 115.700 0.095 0.000 2.563 1567 S HA -0.036 4.544 4.470 0.183 0.000 0.294 1567 S C 0.096 174.704 174.600 0.013 0.000 1.279 1567 S CA -0.110 58.133 58.200 0.072 0.000 1.069 1567 S CB 0.342 63.608 63.200 0.109 0.000 0.828 1567 S HN 0.356 nan 8.310 nan 0.000 0.497 1568 E N 1.239 121.462 120.200 0.038 0.000 2.585 1568 E HA 0.186 4.646 4.350 0.183 0.000 0.252 1568 E C 1.221 177.748 176.600 -0.121 0.000 0.981 1568 E CA 0.766 57.111 56.400 -0.092 0.000 0.943 1568 E CB 0.218 29.905 29.700 -0.021 0.000 0.923 1568 E HN 1.017 nan 8.360 nan 0.000 0.486 1569 G N 3.909 112.585 108.800 -0.206 0.000 2.201 1569 G HA2 -0.248 3.822 3.960 0.183 0.000 0.212 1569 G HA3 -0.248 3.822 3.960 0.183 0.000 0.212 1569 G C 0.226 174.961 174.900 -0.275 0.000 0.994 1569 G CA -0.075 44.972 45.100 -0.087 0.000 0.644 1569 G HN 0.510 nan 8.290 nan 0.000 0.508 1570 N N 1.919 120.270 118.700 -0.582 0.000 2.816 1570 N HA 0.561 5.411 4.740 0.183 0.000 0.236 1570 N C -2.632 172.768 175.510 -0.183 0.000 1.076 1570 N CA -1.835 50.776 53.050 -0.731 0.000 0.902 1570 N CB 1.599 39.231 38.487 -1.424 0.000 1.149 1570 N HN 0.199 nan 8.380 nan 0.000 0.506 1571 P HA 0.171 nan 4.420 nan 0.000 0.278 1571 P C -0.500 176.886 177.300 0.144 0.000 1.258 1571 P CA -0.717 62.461 63.100 0.130 0.000 0.811 1571 P CB 0.787 32.585 31.700 0.164 0.000 1.063 1572 V N -1.040 118.958 119.914 0.140 0.000 2.649 1572 V HA 0.382 4.612 4.120 0.183 0.000 0.292 1572 V C 0.081 176.240 176.094 0.107 0.000 1.055 1572 V CA -0.425 61.943 62.300 0.114 0.000 1.023 1572 V CB -0.022 31.855 31.823 0.091 0.000 0.992 1572 V HN 0.265 nan 8.190 nan 0.000 0.480 1573 I N 4.564 125.199 120.570 0.108 0.000 2.312 1573 I HA 0.524 4.804 4.170 0.183 0.000 0.291 1573 I C 1.048 177.203 176.117 0.064 0.000 1.031 1573 I CA 0.231 61.585 61.300 0.090 0.000 1.293 1573 I CB 0.964 39.037 38.000 0.121 0.000 1.403 1573 I HN 0.903 nan 8.210 nan 0.000 0.484 1574 G N 6.134 114.942 108.800 0.014 0.000 2.332 1574 G HA2 0.545 4.615 3.960 0.183 0.000 0.310 1574 G HA3 0.545 4.615 3.960 0.183 0.000 0.310 1574 G C -0.358 174.398 174.900 -0.240 0.000 1.123 1574 G CA -0.406 44.657 45.100 -0.060 0.000 0.873 1574 G HN 0.509 nan 8.290 nan 0.000 0.460 1575 V N 0.301 120.052 119.914 -0.272 0.000 2.713 1575 V HA 0.839 5.069 4.120 0.183 0.000 0.307 1575 V C -0.746 175.086 176.094 -0.438 0.000 1.052 1575 V CA -1.203 60.997 62.300 -0.168 0.000 0.967 1575 V CB 1.616 33.460 31.823 0.036 0.000 1.019 1575 V HN 0.542 nan 8.190 nan 0.000 0.459 1576 F N 2.209 122.303 119.950 0.240 0.000 2.593 1576 F HA 0.378 5.015 4.527 0.183 0.000 0.336 1576 F C 1.339 177.365 175.800 0.377 0.000 1.491 1576 F CA -0.269 57.887 58.000 0.259 0.000 1.114 1576 F CB 1.068 40.169 39.000 0.169 0.000 1.468 1576 F HN 0.735 nan 8.300 nan 0.000 0.579 1577 Q N 1.111 121.150 119.800 0.397 0.000 2.439 1577 Q HA -0.140 4.310 4.340 0.183 0.000 0.211 1577 Q C 1.283 177.410 176.000 0.213 0.000 0.978 1577 Q CA 1.278 57.268 55.803 0.311 0.000 0.897 1577 Q CB 0.170 29.035 28.738 0.213 0.000 0.956 1577 Q HN 0.294 nan 8.270 nan 0.000 0.483 1578 K N 0.716 121.275 120.400 0.265 0.000 2.360 1578 K HA -0.155 4.275 4.320 0.183 0.000 0.201 1578 K C 1.727 178.456 176.600 0.216 0.000 1.046 1578 K CA 1.173 57.587 56.287 0.212 0.000 0.940 1578 K CB -0.432 32.145 32.500 0.128 0.000 0.748 1578 K HN 0.516 nan 8.250 nan 0.000 0.465 1579 F N -0.674 119.381 119.950 0.174 0.000 2.293 1579 F HA -0.053 4.584 4.527 0.183 0.000 0.300 1579 F C 1.746 177.641 175.800 0.157 0.000 1.086 1579 F CA 0.807 58.892 58.000 0.142 0.000 1.375 1579 F CB -0.309 38.762 39.000 0.117 0.000 1.045 1579 F HN -0.113 nan 8.300 nan 0.000 0.516 1580 L N 0.346 121.108 121.223 -0.768 0.000 2.316 1580 L HA 0.028 4.478 4.340 0.183 0.000 0.207 1580 L C 2.292 179.186 176.870 0.040 0.000 1.070 1580 L CA 1.391 55.862 54.840 -0.615 0.000 0.820 1580 L CB -0.272 41.194 42.059 -0.988 0.000 0.992 1580 L HN 0.430 nan 8.230 nan 0.000 0.466 1581 T N -3.489 111.118 114.554 0.087 0.000 3.044 1581 T HA 0.329 4.789 4.350 0.183 0.000 0.250 1581 T C 1.057 175.949 174.700 0.319 0.000 1.081 1581 T CA 0.399 62.660 62.100 0.267 0.000 1.040 1581 T CB 0.337 69.387 68.868 0.303 0.000 0.962 1581 T HN 0.467 nan 8.240 nan 0.000 0.506 1582 G N 1.441 110.391 108.800 0.250 0.000 2.750 1582 G HA2 -0.168 3.902 3.960 0.183 0.000 0.228 1582 G HA3 -0.168 3.902 3.960 0.183 0.000 0.228 1582 G C -0.674 174.421 174.900 0.326 0.000 1.367 1582 G CA -0.083 45.172 45.100 0.259 0.000 0.871 1582 G HN 0.980 nan 8.290 nan 0.000 0.560 1583 H N 1.442 120.604 119.070 0.153 0.000 2.792 1583 H HA 0.598 5.265 4.556 0.184 0.000 0.298 1583 H C -2.340 172.964 175.328 -0.039 0.000 1.042 1583 H CA -2.505 53.546 56.048 0.005 0.000 1.300 1583 H CB 1.603 31.291 29.762 -0.123 0.000 1.431 1583 H HN 0.355 nan 8.280 nan 0.000 0.496 1584 P HA 0.093 nan 4.420 nan 0.000 0.234 1584 P C 0.561 177.685 177.300 -0.294 0.000 1.799 1584 P CA -0.603 62.345 63.100 -0.253 0.000 1.118 1584 P CB 0.685 32.030 31.700 -0.590 0.000 1.827 1585 K N 2.030 122.194 120.400 -0.394 0.000 2.097 1585 K HA -0.283 4.147 4.320 0.183 0.000 0.217 1585 K C 1.753 178.295 176.600 -0.097 0.000 0.806 1585 K CA 2.563 58.653 56.287 -0.329 0.000 1.017 1585 K CB -2.497 29.920 32.500 -0.138 0.000 0.803 1585 K HN 0.413 nan 8.250 nan 0.000 0.628 1586 G N 0.414 109.157 108.800 -0.095 0.000 2.572 1586 G HA2 0.109 4.179 3.960 0.183 0.000 0.216 1586 G HA3 0.109 4.179 3.960 0.183 0.000 0.216 1586 G C 1.600 176.405 174.900 -0.158 0.000 1.133 1586 G CA 0.839 45.878 45.100 -0.102 0.000 0.791 1586 G HN 0.635 nan 8.290 nan 0.000 0.538 1587 A N 0.594 123.257 122.820 -0.262 0.000 2.169 1587 A HA 0.585 5.015 4.320 0.183 0.000 0.212 1587 A C 2.580 179.836 177.584 -0.545 0.000 1.153 1587 A CA 1.363 53.127 52.037 -0.456 0.000 0.756 1587 A CB -0.297 18.244 19.000 -0.765 0.000 0.813 1587 A HN 0.502 nan 8.150 nan 0.000 0.471 1588 A N 0.292 122.940 122.820 -0.287 0.000 1.849 1588 A HA -0.009 4.421 4.320 0.183 0.000 0.217 1588 A C 2.453 180.056 177.584 0.031 0.000 1.202 1588 A CA 2.130 54.119 52.037 -0.080 0.000 0.629 1588 A CB -1.599 17.510 19.000 0.181 0.000 0.834 1588 A HN 0.835 nan 8.150 nan 0.000 0.447 1589 G N -0.886 107.945 108.800 0.052 0.000 2.503 1589 G HA2 -0.075 3.995 3.960 0.183 0.000 0.221 1589 G HA3 -0.075 3.995 3.960 0.183 0.000 0.221 1589 G C 1.703 176.641 174.900 0.062 0.000 1.131 1589 G CA 1.856 46.988 45.100 0.053 0.000 0.756 1589 G HN 0.939 nan 8.290 nan 0.000 0.572 1590 A N 0.007 122.861 122.820 0.057 0.000 1.872 1590 A HA 0.051 4.481 4.320 0.183 0.000 0.214 1590 A C 2.157 179.906 177.584 0.274 0.000 1.187 1590 A CA 1.494 53.609 52.037 0.130 0.000 0.614 1590 A CB -0.650 18.437 19.000 0.146 0.000 0.826 1590 A HN 0.407 nan 8.150 nan 0.000 0.442 1591 W N 0.121 121.462 121.300 0.069 0.000 2.325 1591 W HA -0.163 4.607 4.660 0.183 0.000 0.299 1591 W C 2.368 178.912 176.519 0.042 0.000 1.215 1591 W CA 1.394 58.784 57.345 0.075 0.000 1.244 1591 W CB -0.995 28.525 29.460 0.100 0.000 1.140 1591 W HN 0.323 nan 8.180 nan 0.000 0.523 1592 M N -1.334 118.428 119.600 0.271 0.000 2.349 1592 M HA -0.115 4.475 4.480 0.183 0.000 0.266 1592 M C 2.097 178.422 176.300 0.042 0.000 1.076 1592 M CA 1.221 56.611 55.300 0.150 0.000 1.126 1592 M CB -0.642 32.041 32.600 0.137 0.000 1.392 1592 M HN -0.127 nan 8.290 nan 0.000 0.440 1593 M N 1.126 120.737 119.600 0.018 0.000 2.200 1593 M HA -0.078 4.512 4.480 0.183 0.000 0.265 1593 M C 1.448 177.610 176.300 -0.231 0.000 1.066 1593 M CA 1.809 57.060 55.300 -0.081 0.000 1.127 1593 M CB -0.342 32.227 32.600 -0.052 0.000 1.379 1593 M HN 0.081 nan 8.290 nan 0.000 0.420 1594 N N 0.435 119.003 118.700 -0.219 0.000 2.062 1594 N HA -0.028 4.822 4.740 0.183 0.000 0.191 1594 N C 1.822 177.065 175.510 -0.445 0.000 1.042 1594 N CA 1.846 54.586 53.050 -0.518 0.000 0.845 1594 N CB -1.340 37.062 38.487 -0.142 0.000 1.024 1594 N HN 0.546 nan 8.380 nan 0.000 0.424 1595 G N 0.411 109.123 108.800 -0.147 0.000 2.462 1595 G HA2 -0.188 3.882 3.960 0.183 0.000 0.220 1595 G HA3 -0.188 3.882 3.960 0.183 0.000 0.220 1595 G C 1.586 176.396 174.900 -0.150 0.000 1.121 1595 G CA 1.248 46.312 45.100 -0.062 0.000 0.758 1595 G HN 0.475 nan 8.290 nan 0.000 0.559 1596 A N 0.547 123.274 122.820 -0.154 0.000 1.873 1596 A HA 0.154 4.584 4.320 0.183 0.000 0.215 1596 A C 2.421 179.870 177.584 -0.223 0.000 1.186 1596 A CA 1.118 53.071 52.037 -0.140 0.000 0.616 1596 A CB -0.363 18.571 19.000 -0.111 0.000 0.823 1596 A HN 0.344 nan 8.150 nan 0.000 0.442 1597 L N -0.514 120.497 121.223 -0.355 0.000 2.046 1597 L HA -0.267 4.183 4.340 0.183 0.000 0.208 1597 L C 2.889 179.542 176.870 -0.363 0.000 1.077 1597 L CA 1.654 56.266 54.840 -0.379 0.000 0.747 1597 L CB -0.700 40.981 42.059 -0.629 0.000 0.896 1597 L HN 0.523 nan 8.230 nan 0.000 0.432 1598 Q N -0.212 119.260 119.800 -0.548 0.000 2.167 1598 Q HA -0.159 4.291 4.340 0.183 0.000 0.202 1598 Q C 2.292 177.854 176.000 -0.730 0.000 0.970 1598 Q CA 1.204 56.524 55.803 -0.805 0.000 0.855 1598 Q CB -0.045 27.797 28.738 -1.495 0.000 0.911 1598 Q HN 0.558 nan 8.270 nan 0.000 0.438 1599 I N 0.798 121.098 120.570 -0.449 0.000 2.163 1599 I HA -0.277 4.003 4.170 0.183 0.000 0.240 1599 I C 2.304 178.410 176.117 -0.018 0.000 1.081 1599 I CA 1.048 62.297 61.300 -0.085 0.000 1.353 1599 I CB -0.247 37.773 38.000 0.034 0.000 1.054 1599 I HN 0.242 nan 8.210 nan 0.000 0.407 1600 L N 0.568 121.757 121.223 -0.056 0.000 2.013 1600 L HA -0.283 4.167 4.340 0.183 0.000 0.212 1600 L C 1.877 178.764 176.870 0.028 0.000 1.073 1600 L CA 1.637 56.478 54.840 0.002 0.000 0.753 1600 L CB -0.674 41.314 42.059 -0.118 0.000 0.890 1600 L HN 0.399 nan 8.230 nan 0.000 0.432 1601 N N -0.902 117.763 118.700 -0.059 0.000 2.398 1601 N HA -0.054 4.796 4.740 0.183 0.000 0.188 1601 N C 1.524 177.094 175.510 0.101 0.000 1.122 1601 N CA 1.074 54.133 53.050 0.014 0.000 0.866 1601 N CB 0.448 38.944 38.487 0.015 0.000 0.970 1601 N HN 0.371 nan 8.380 nan 0.000 0.462 1602 S N -1.835 113.928 115.700 0.104 0.000 2.604 1602 S HA 0.243 4.822 4.470 0.183 0.000 0.235 1602 S C 1.400 176.116 174.600 0.193 0.000 1.043 1602 S CA 0.577 58.888 58.200 0.186 0.000 0.997 1602 S CB 0.588 63.962 63.200 0.290 0.000 0.956 1602 S HN 0.208 nan 8.310 nan 0.000 0.535 1603 G N 1.639 110.539 108.800 0.167 0.000 2.196 1603 G HA2 -0.260 3.810 3.960 0.183 0.000 0.268 1603 G HA3 -0.260 3.810 3.960 0.183 0.000 0.268 1603 G C 0.023 174.988 174.900 0.109 0.000 0.975 1603 G CA 0.709 45.890 45.100 0.136 0.000 0.648 1603 G HN 0.650 nan 8.290 nan 0.000 0.538 1604 I N 1.011 121.688 120.570 0.179 0.000 2.331 1604 I HA 0.452 4.732 4.170 0.183 0.000 0.292 1604 I C 0.480 176.702 176.117 0.175 0.000 0.998 1604 I CA -0.777 60.614 61.300 0.153 0.000 1.267 1604 I CB 1.275 39.385 38.000 0.183 0.000 1.386 1604 I HN -0.042 nan 8.210 nan 0.000 0.476 1605 I N 8.295 128.910 120.570 0.075 0.000 2.328 1605 I HA 0.334 4.614 4.170 0.183 0.000 0.287 1605 I C -2.309 173.824 176.117 0.026 0.000 1.012 1605 I CA -2.017 59.334 61.300 0.085 0.000 1.195 1605 I CB 1.125 39.166 38.000 0.068 0.000 1.350 1605 I HN 0.244 nan 8.210 nan 0.000 0.464 1606 P HA 0.167 nan 4.420 nan 0.000 0.272 1606 P C -0.020 177.286 177.300 0.010 0.000 1.230 1606 P CA -0.280 62.774 63.100 -0.076 0.000 0.788 1606 P CB 0.700 32.342 31.700 -0.096 0.000 0.949 1607 G N 0.616 109.405 108.800 -0.018 0.000 2.379 1607 G HA2 0.213 4.283 3.960 0.183 0.000 0.327 1607 G HA3 0.213 4.283 3.960 0.183 0.000 0.327 1607 G C -0.260 174.560 174.900 -0.134 0.000 1.145 1607 G CA -0.418 44.670 45.100 -0.019 0.000 0.905 1607 G HN 0.423 nan 8.290 nan 0.000 0.466 1608 N N 1.550 120.170 118.700 -0.133 0.000 2.484 1608 N HA -0.039 4.811 4.740 0.183 0.000 0.295 1608 N C 1.494 176.625 175.510 -0.633 0.000 1.240 1608 N CA -0.066 52.695 53.050 -0.481 0.000 1.085 1608 N CB 0.099 38.548 38.487 -0.064 0.000 1.465 1608 N HN 0.529 nan 8.380 nan 0.000 0.496 1609 R N 1.828 121.745 120.500 -0.972 0.000 2.357 1609 R HA 0.031 4.481 4.340 0.183 0.000 0.202 1609 R C 0.311 176.438 176.300 -0.287 0.000 1.047 1609 R CA 0.679 56.520 56.100 -0.432 0.000 1.034 1609 R CB 0.002 30.214 30.300 -0.147 0.000 0.875 1609 R HN 0.605 nan 8.270 nan 0.000 0.473 1610 N N -0.060 118.398 118.700 -0.403 0.000 2.238 1610 N HA 0.110 4.960 4.740 0.183 0.000 0.222 1610 N C -0.624 174.833 175.510 -0.089 0.000 1.133 1610 N CA -0.379 52.603 53.050 -0.113 0.000 0.854 1610 N CB 1.047 39.563 38.487 0.047 0.000 1.041 1610 N HN 0.039 nan 8.380 nan 0.000 0.510 1611 A N 1.612 124.371 122.820 -0.101 0.000 3.004 1611 A HA 0.051 4.481 4.320 0.183 0.000 0.286 1611 A C 1.061 178.740 177.584 0.159 0.000 1.632 1611 A CA -0.524 51.520 52.037 0.012 0.000 1.339 1611 A CB -0.186 18.859 19.000 0.075 0.000 1.136 1611 A HN 0.311 nan 8.150 nan 0.000 0.577 1612 D N 0.823 121.300 120.400 0.128 0.000 2.117 1612 D HA -0.135 4.615 4.640 0.183 0.000 0.197 1612 D C 0.214 176.758 176.300 0.405 0.000 0.987 1612 D CA 1.155 55.311 54.000 0.260 0.000 0.829 1612 D CB 0.009 40.911 40.800 0.169 0.000 0.961 1612 D HN 0.464 nan 8.370 nan 0.000 0.460 1613 N N -0.691 118.140 118.700 0.219 0.000 2.578 1613 N HA 0.175 5.025 4.740 0.183 0.000 0.282 1613 N C -1.698 173.775 175.510 -0.063 0.000 1.119 1613 N CA -0.422 52.725 53.050 0.163 0.000 0.948 1613 N CB 2.277 40.779 38.487 0.024 0.000 1.546 1613 N HN -0.223 nan 8.380 nan 0.000 0.525 1614 V N 1.990 121.748 119.914 -0.260 0.000 2.529 1614 V HA 0.045 4.274 4.120 0.183 0.000 0.292 1614 V C 0.576 176.565 176.094 -0.176 0.000 1.028 1614 V CA -0.213 61.848 62.300 -0.399 0.000 1.074 1614 V CB 0.564 31.947 31.823 -0.733 0.000 0.958 1614 V HN 0.650 nan 8.190 nan 0.000 0.481 1615 D N 4.014 124.315 120.400 -0.166 0.000 2.520 1615 D HA -0.071 4.679 4.640 0.183 0.000 0.243 1615 D C 1.107 177.463 176.300 0.094 0.000 1.160 1615 D CA 0.131 54.100 54.000 -0.051 0.000 0.877 1615 D CB 0.852 41.594 40.800 -0.097 0.000 1.150 1615 D HN 0.571 nan 8.370 nan 0.000 0.494 1616 K N 3.772 124.248 120.400 0.126 0.000 2.218 1616 K HA -0.159 4.271 4.320 0.183 0.000 0.205 1616 K C 1.709 178.268 176.600 -0.068 0.000 1.046 1616 K CA 1.059 57.421 56.287 0.125 0.000 0.933 1616 K CB -0.327 32.222 32.500 0.082 0.000 0.728 1616 K HN 0.511 nan 8.250 nan 0.000 0.454 1617 I N 0.808 121.355 120.570 -0.039 0.000 2.118 1617 I HA -0.273 4.007 4.170 0.183 0.000 0.241 1617 I C 1.719 177.784 176.117 -0.087 0.000 1.070 1617 I CA 1.365 62.626 61.300 -0.064 0.000 1.327 1617 I CB -0.347 37.657 38.000 0.006 0.000 1.034 1617 I HN 0.131 nan 8.210 nan 0.000 0.405 1618 L N 0.154 121.410 121.223 0.055 0.000 2.651 1618 L HA -0.202 4.248 4.340 0.183 0.000 0.236 1618 L C 2.245 179.141 176.870 0.043 0.000 1.173 1618 L CA 0.744 55.742 54.840 0.263 0.000 0.843 1618 L CB -0.807 41.348 42.059 0.160 0.000 0.964 1618 L HN 0.386 nan 8.230 nan 0.000 0.454 1619 E N 0.779 120.688 120.200 -0.485 0.000 2.204 1619 E HA -0.253 4.207 4.350 0.183 0.000 0.194 1619 E C 2.133 178.430 176.600 -0.506 0.000 0.989 1619 E CA 0.998 56.818 56.400 -0.965 0.000 0.824 1619 E CB 0.120 28.904 29.700 -1.527 0.000 0.756 1619 E HN 0.709 nan 8.360 nan 0.000 0.477 1620 Q N -0.459 119.036 119.800 -0.508 0.000 2.234 1620 Q HA -0.143 4.307 4.340 0.183 0.000 0.206 1620 Q C 0.161 175.913 176.000 -0.413 0.000 0.980 1620 Q CA 0.889 56.383 55.803 -0.513 0.000 0.869 1620 Q CB -0.391 27.938 28.738 -0.683 0.000 0.912 1620 Q HN 0.150 nan 8.270 nan 0.000 0.436 1621 F N 2.516 122.484 119.950 0.029 0.000 2.605 1621 F HA 0.235 4.872 4.527 0.183 0.000 0.352 1621 F C 0.627 176.507 175.800 0.132 0.000 1.236 1621 F CA -0.559 57.519 58.000 0.130 0.000 1.267 1621 F CB 0.144 39.260 39.000 0.195 0.000 1.632 1621 F HN 0.070 nan 8.300 nan 0.000 0.639 1622 E N 0.188 120.491 120.200 0.172 0.000 2.472 1622 E HA -0.178 4.282 4.350 0.183 0.000 0.200 1622 E C 0.617 177.169 176.600 -0.080 0.000 1.046 1622 E CA 0.860 57.264 56.400 0.006 0.000 0.871 1622 E CB -0.060 29.567 29.700 -0.121 0.000 0.806 1622 E HN 0.676 nan 8.360 nan 0.000 0.533 1623 Y N -0.156 120.231 120.300 0.146 0.000 2.461 1623 Y HA 0.094 4.754 4.550 0.183 0.000 0.277 1623 Y C 0.354 176.318 175.900 0.106 0.000 1.182 1623 Y CA -0.150 58.016 58.100 0.110 0.000 1.276 1623 Y CB 0.840 39.357 38.460 0.095 0.000 1.087 1623 Y HN -0.218 nan 8.280 nan 0.000 0.519 1624 V N 1.707 121.748 119.914 0.212 0.000 2.604 1624 V HA 0.343 4.573 4.120 0.183 0.000 0.305 1624 V C -0.617 175.424 176.094 -0.088 0.000 1.043 1624 V CA -1.158 61.165 62.300 0.038 0.000 0.888 1624 V CB 2.726 34.525 31.823 -0.039 0.000 0.995 1624 V HN -0.033 nan 8.190 nan 0.000 0.429 1625 L N 4.947 126.062 121.223 -0.180 0.000 2.349 1625 L HA 0.586 5.036 4.340 0.183 0.000 0.278 1625 L C -1.675 175.094 176.870 -0.169 0.000 0.996 1625 L CA -0.545 54.237 54.840 -0.097 0.000 0.825 1625 L CB 1.704 43.781 42.059 0.031 0.000 1.243 1625 L HN 0.674 nan 8.230 nan 0.000 0.412 1626 Y N 5.122 125.447 120.300 0.042 0.000 2.593 1626 Y HA 0.386 5.046 4.550 0.183 0.000 0.331 1626 Y C -2.123 173.819 175.900 0.070 0.000 0.986 1626 Y CA -2.743 55.404 58.100 0.078 0.000 1.262 1626 Y CB 0.581 39.008 38.460 -0.056 0.000 1.098 1626 Y HN 0.449 nan 8.280 nan 0.000 0.506 1627 P HA 0.130 nan 4.420 nan 0.000 0.284 1627 P C 0.528 177.975 177.300 0.245 0.000 1.253 1627 P CA -0.369 62.873 63.100 0.237 0.000 0.800 1627 P CB 1.635 33.429 31.700 0.158 0.000 0.961 1628 S N 1.753 117.625 115.700 0.287 0.000 2.535 1628 S HA 0.086 4.666 4.470 0.183 0.000 0.214 1628 S C 0.477 175.042 174.600 -0.058 0.000 0.980 1628 S CA 0.040 58.289 58.200 0.080 0.000 0.907 1628 S CB -0.446 62.702 63.200 -0.086 0.000 0.790 1628 S HN 0.534 nan 8.310 nan 0.000 0.510 1629 K N 0.184 120.574 120.400 -0.017 0.000 2.435 1629 K HA 0.496 4.926 4.320 0.183 0.000 0.251 1629 K C -1.265 175.327 176.600 -0.013 0.000 0.954 1629 K CA -0.677 55.583 56.287 -0.046 0.000 0.820 1629 K CB 1.125 33.583 32.500 -0.070 0.000 1.292 1629 K HN -0.140 nan 8.250 nan 0.000 0.436 1630 T N 2.601 117.131 114.554 -0.039 0.000 2.888 1630 T HA 0.154 4.614 4.350 0.183 0.000 0.301 1630 T C -0.128 174.570 174.700 -0.003 0.000 1.001 1630 T CA -0.075 61.998 62.100 -0.046 0.000 1.147 1630 T CB -0.103 68.696 68.868 -0.115 0.000 0.931 1630 T HN 0.320 nan 8.240 nan 0.000 0.541 1631 L N 4.019 125.247 121.223 0.009 0.000 2.298 1631 L HA 0.435 4.885 4.340 0.183 0.000 0.284 1631 L C 0.479 177.330 176.870 -0.032 0.000 1.013 1631 L CA -0.706 54.148 54.840 0.023 0.000 0.824 1631 L CB 1.188 43.280 42.059 0.054 0.000 1.221 1631 L HN 0.484 nan 8.230 nan 0.000 0.418 1632 K N 3.331 123.732 120.400 0.002 0.000 2.250 1632 K HA 0.252 4.682 4.320 0.183 0.000 0.285 1632 K C 0.176 176.742 176.600 -0.057 0.000 1.097 1632 K CA -0.293 56.003 56.287 0.016 0.000 0.913 1632 K CB 0.736 33.278 32.500 0.070 0.000 1.179 1632 K HN 0.692 nan 8.250 nan 0.000 0.462 1633 T N -0.082 114.309 114.554 -0.273 0.000 2.884 1633 T HA 0.136 4.596 4.350 0.183 0.000 0.277 1633 T C 0.799 175.445 174.700 -0.090 0.000 0.976 1633 T CA -0.470 61.165 62.100 -0.775 0.000 0.956 1633 T CB 1.024 69.431 68.868 -0.769 0.000 1.113 1633 T HN 0.615 nan 8.240 nan 0.000 0.554 1634 D N -1.371 119.045 120.400 0.026 0.000 2.328 1634 D HA 0.347 5.097 4.640 0.183 0.000 0.221 1634 D C 0.717 177.140 176.300 0.205 0.000 1.072 1634 D CA -0.095 54.063 54.000 0.263 0.000 0.850 1634 D CB -0.354 40.654 40.800 0.347 0.000 0.922 1634 D HN 1.059 nan 8.370 nan 0.000 0.516 1635 G N -1.051 107.834 108.800 0.142 0.000 2.351 1635 G HA2 0.363 4.433 3.960 0.183 0.000 0.296 1635 G HA3 0.363 4.433 3.960 0.183 0.000 0.296 1635 G C -1.883 173.099 174.900 0.136 0.000 1.685 1635 G CA -0.760 44.419 45.100 0.131 0.000 0.936 1635 G HN 0.081 nan 8.290 nan 0.000 0.714 1636 V N 2.023 122.028 119.914 0.151 0.000 2.495 1636 V HA 0.519 4.749 4.120 0.183 0.000 0.298 1636 V C 1.097 177.314 176.094 0.205 0.000 1.031 1636 V CA -0.638 61.759 62.300 0.161 0.000 0.871 1636 V CB 1.710 33.616 31.823 0.138 0.000 0.988 1636 V HN 0.877 nan 8.190 nan 0.000 0.432 1637 R N 2.383 122.994 120.500 0.185 0.000 2.146 1637 R HA 0.596 5.046 4.340 0.183 0.000 0.206 1637 R C 0.413 176.817 176.300 0.173 0.000 1.049 1637 R CA 0.948 57.185 56.100 0.229 0.000 1.029 1637 R CB 0.605 31.017 30.300 0.188 0.000 0.949 1637 R HN 0.802 nan 8.270 nan 0.000 0.471 1638 A N 0.077 122.956 122.820 0.098 0.000 2.532 1638 A HA 0.506 4.936 4.320 0.183 0.000 0.296 1638 A C -1.252 176.345 177.584 0.022 0.000 1.058 1638 A CA -0.644 51.417 52.037 0.040 0.000 0.729 1638 A CB 1.469 20.467 19.000 -0.002 0.000 1.285 1638 A HN -0.055 nan 8.150 nan 0.000 0.396 1639 V N 1.038 120.950 119.914 -0.003 0.000 2.850 1639 V HA 0.792 5.022 4.120 0.183 0.000 0.315 1639 V C 0.582 176.648 176.094 -0.047 0.000 1.064 1639 V CA -0.282 62.006 62.300 -0.020 0.000 0.979 1639 V CB 2.069 33.876 31.823 -0.027 0.000 1.039 1639 V HN 1.079 nan 8.190 nan 0.000 0.452 1640 S N 3.734 119.394 115.700 -0.067 0.000 2.622 1640 S HA 0.547 5.127 4.470 0.183 0.000 0.283 1640 S C -0.682 173.846 174.600 -0.119 0.000 1.197 1640 S CA -0.579 57.563 58.200 -0.097 0.000 1.146 1640 S CB -0.080 63.049 63.200 -0.118 0.000 1.007 1640 S HN 0.474 nan 8.310 nan 0.000 0.478 1641 I N 5.102 125.616 120.570 -0.094 0.000 2.379 1641 I HA 0.274 4.553 4.170 0.183 0.000 0.290 1641 I C 0.782 176.838 176.117 -0.101 0.000 1.063 1641 I CA -0.020 61.233 61.300 -0.079 0.000 1.351 1641 I CB 0.955 38.923 38.000 -0.054 0.000 1.410 1641 I HN 0.620 nan 8.210 nan 0.000 0.505 1642 T N 2.223 116.718 114.554 -0.100 0.000 2.863 1642 T HA 0.795 5.255 4.350 0.183 0.000 0.285 1642 T C -0.373 174.302 174.700 -0.042 0.000 1.009 1642 T CA -0.733 61.301 62.100 -0.109 0.000 0.989 1642 T CB 1.765 70.579 68.868 -0.089 0.000 1.004 1642 T HN 0.602 nan 8.240 nan 0.000 0.455 1643 S N 1.624 117.192 115.700 -0.220 0.000 2.541 1643 S HA 0.803 5.383 4.470 0.183 0.000 0.271 1643 S C -1.611 172.683 174.600 -0.509 0.000 1.133 1643 S CA -0.962 56.977 58.200 -0.434 0.000 0.876 1643 S CB 1.046 63.979 63.200 -0.445 0.000 1.105 1643 S HN 0.588 nan 8.310 nan 0.000 0.470 1644 F N 0.778 120.265 119.950 -0.770 0.000 2.507 1644 F HA 0.829 5.466 4.527 0.183 0.000 0.325 1644 F C 0.800 176.484 175.800 -0.193 0.000 1.116 1644 F CA -0.409 57.398 58.000 -0.321 0.000 0.930 1644 F CB 2.253 41.149 39.000 -0.174 0.000 1.146 1644 F HN 1.038 nan 8.300 nan 0.000 0.447 1645 G N 1.195 110.036 108.800 0.068 0.000 2.685 1645 G HA2 0.608 4.678 3.960 0.183 0.000 0.298 1645 G HA3 0.608 4.678 3.960 0.183 0.000 0.298 1645 G C -1.342 173.665 174.900 0.179 0.000 1.277 1645 G CA -0.717 44.483 45.100 0.167 0.000 0.986 1645 G HN 0.255 nan 8.290 nan 0.000 0.487 1646 F N 0.212 120.216 119.950 0.090 0.000 2.545 1646 F HA 0.386 5.023 4.527 0.184 0.000 0.348 1646 F C 1.555 177.386 175.800 0.051 0.000 1.163 1646 F CA 1.417 59.469 58.000 0.087 0.000 1.331 1646 F CB 0.874 39.936 39.000 0.102 0.000 1.138 1646 F HN 0.916 nan 8.300 nan 0.000 0.602 1647 G N 1.856 110.774 108.800 0.195 0.000 2.212 1647 G HA2 -0.290 3.780 3.960 0.183 0.000 0.255 1647 G HA3 -0.290 3.780 3.960 0.183 0.000 0.255 1647 G C 0.219 175.157 174.900 0.062 0.000 1.062 1647 G CA 0.153 45.324 45.100 0.118 0.000 0.815 1647 G HN 0.804 nan 8.290 nan 0.000 0.497 1648 Q N -2.702 117.125 119.800 0.045 0.000 2.494 1648 Q HA -0.230 4.220 4.340 0.183 0.000 0.266 1648 Q C 0.638 176.632 176.000 -0.011 0.000 1.053 1648 Q CA 1.659 57.472 55.803 0.017 0.000 1.029 1648 Q CB -1.006 27.737 28.738 0.009 0.000 1.423 1648 Q HN 0.647 nan 8.270 nan 0.000 0.516 1649 K N 1.571 121.969 120.400 -0.003 0.000 2.142 1649 K HA 0.321 4.751 4.320 0.183 0.000 0.250 1649 K C 0.296 176.818 176.600 -0.130 0.000 1.148 1649 K CA 0.356 56.617 56.287 -0.043 0.000 1.040 1649 K CB 0.274 32.773 32.500 -0.000 0.000 1.569 1649 K HN 0.321 nan 8.250 nan 0.000 0.361 1650 G N 0.674 109.352 108.800 -0.204 0.000 2.425 1650 G HA2 0.644 4.714 3.960 0.183 0.000 0.302 1650 G HA3 0.644 4.714 3.960 0.183 0.000 0.302 1650 G C -0.566 174.110 174.900 -0.373 0.000 1.159 1650 G CA -0.600 44.250 45.100 -0.417 0.000 0.865 1650 G HN 0.561 nan 8.290 nan 0.000 0.515 1651 G N -0.518 107.988 108.800 -0.490 0.000 2.752 1651 G HA2 0.521 4.591 3.960 0.183 0.000 0.298 1651 G HA3 0.521 4.591 3.960 0.183 0.000 0.298 1651 G C -1.395 173.316 174.900 -0.314 0.000 1.434 1651 G CA -0.485 44.420 45.100 -0.324 0.000 1.004 1651 G HN 0.734 nan 8.290 nan 0.000 0.560 1652 Q N 0.170 119.838 119.800 -0.219 0.000 2.433 1652 Q HA 0.820 5.270 4.340 0.183 0.000 0.279 1652 Q C -1.071 174.855 176.000 -0.123 0.000 1.105 1652 Q CA -0.977 54.721 55.803 -0.175 0.000 0.815 1652 Q CB 2.555 31.195 28.738 -0.163 0.000 1.403 1652 Q HN 1.256 nan 8.270 nan 0.000 0.435 1653 A N 3.155 125.913 122.820 -0.104 0.000 2.459 1653 A HA 0.590 5.019 4.320 0.183 0.000 0.296 1653 A C -1.528 176.013 177.584 -0.072 0.000 1.039 1653 A CA -0.612 51.378 52.037 -0.078 0.000 0.698 1653 A CB 1.253 20.211 19.000 -0.069 0.000 1.261 1653 A HN 0.599 nan 8.150 nan 0.000 0.405 1654 I N 2.990 123.526 120.570 -0.056 0.000 2.330 1654 I HA 0.362 4.642 4.170 0.183 0.000 0.289 1654 I C -0.463 175.627 176.117 -0.045 0.000 1.001 1654 I CA -0.571 60.698 61.300 -0.051 0.000 1.193 1654 I CB 1.174 39.148 38.000 -0.043 0.000 1.345 1654 I HN 0.302 nan 8.210 nan 0.000 0.461 1655 V N 7.533 127.415 119.914 -0.053 0.000 2.370 1655 V HA 0.388 4.618 4.120 0.183 0.000 0.283 1655 V C 0.273 176.334 176.094 -0.056 0.000 1.023 1655 V CA -0.663 61.600 62.300 -0.061 0.000 0.857 1655 V CB 2.195 33.971 31.823 -0.078 0.000 0.985 1655 V HN 0.420 nan 8.190 nan 0.000 0.443 1656 V N 4.129 123.996 119.914 -0.079 0.000 2.612 1656 V HA 0.337 4.567 4.120 0.183 0.000 0.301 1656 V C 0.336 176.418 176.094 -0.020 0.000 1.046 1656 V CA -0.776 61.475 62.300 -0.080 0.000 0.946 1656 V CB 1.600 33.282 31.823 -0.235 0.000 1.003 1656 V HN 0.847 nan 8.190 nan 0.000 0.459 1657 H N 6.268 125.363 119.070 0.042 0.000 3.001 1657 H HA 0.057 4.723 4.556 0.183 0.000 0.334 1657 H C -1.790 173.543 175.328 0.008 0.000 1.034 1657 H CA -1.162 54.932 56.048 0.076 0.000 1.420 1657 H CB 1.735 31.592 29.762 0.159 0.000 1.405 1657 H HN 0.359 nan 8.280 nan 0.000 0.593 1658 P HA -0.150 nan 4.420 nan 0.000 0.216 1658 P C 0.967 178.176 177.300 -0.152 0.000 1.150 1658 P CA 1.276 64.288 63.100 -0.148 0.000 0.843 1658 P CB 0.351 31.961 31.700 -0.150 0.000 0.787 1659 D N -2.074 118.471 120.400 0.241 0.000 2.309 1659 D HA -0.146 4.604 4.640 0.183 0.000 0.212 1659 D C 1.670 177.881 176.300 -0.148 0.000 0.968 1659 D CA 0.945 55.013 54.000 0.114 0.000 0.882 1659 D CB -0.672 40.161 40.800 0.055 0.000 0.918 1659 D HN 0.325 nan 8.370 nan 0.000 0.503 1660 Y N 0.170 120.440 120.300 -0.051 0.000 2.421 1660 Y HA -0.094 4.566 4.550 0.183 0.000 0.292 1660 Y C 2.171 178.024 175.900 -0.079 0.000 1.136 1660 Y CA 0.177 58.232 58.100 -0.075 0.000 1.255 1660 Y CB -0.083 38.287 38.460 -0.149 0.000 0.991 1660 Y HN -0.019 nan 8.280 nan 0.000 0.552 1661 L N -1.029 120.113 121.223 -0.135 0.000 2.056 1661 L HA -0.201 4.249 4.340 0.183 0.000 0.207 1661 L C 1.679 178.507 176.870 -0.070 0.000 1.078 1661 L CA 1.744 56.496 54.840 -0.147 0.000 0.749 1661 L CB -0.765 41.066 42.059 -0.379 0.000 0.901 1661 L HN 0.135 nan 8.230 nan 0.000 0.433 1662 Y N 0.246 120.593 120.300 0.078 0.000 2.421 1662 Y HA 0.045 4.705 4.550 0.183 0.000 0.292 1662 Y C 2.512 178.418 175.900 0.011 0.000 1.136 1662 Y CA 0.661 58.813 58.100 0.087 0.000 1.255 1662 Y CB -1.519 37.008 38.460 0.111 0.000 0.991 1662 Y HN 0.254 nan 8.280 nan 0.000 0.552 1663 G N -0.077 108.780 108.800 0.094 0.000 2.462 1663 G HA2 -0.159 3.911 3.960 0.183 0.000 0.220 1663 G HA3 -0.159 3.911 3.960 0.183 0.000 0.220 1663 G C 1.496 176.456 174.900 0.100 0.000 1.121 1663 G CA 0.774 45.896 45.100 0.038 0.000 0.758 1663 G HN 0.446 nan 8.290 nan 0.000 0.559 1664 A N -0.396 122.508 122.820 0.140 0.000 2.532 1664 A HA 0.665 5.095 4.320 0.183 0.000 0.273 1664 A C 0.324 177.990 177.584 0.136 0.000 1.342 1664 A CA -0.302 51.812 52.037 0.128 0.000 0.929 1664 A CB -0.128 18.948 19.000 0.128 0.000 1.051 1664 A HN 0.377 nan 8.150 nan 0.000 0.521 1665 I N -1.008 119.672 120.570 0.183 0.000 2.894 1665 I HA 0.370 4.650 4.170 0.183 0.000 0.302 1665 I C 0.029 176.280 176.117 0.223 0.000 1.188 1665 I CA -0.489 60.926 61.300 0.191 0.000 1.014 1665 I CB 2.255 40.389 38.000 0.223 0.000 1.242 1665 I HN 0.125 nan 8.210 nan 0.000 0.430 1666 T N 2.326 116.960 114.554 0.134 0.000 2.900 1666 T HA 0.045 4.504 4.350 0.183 0.000 0.307 1666 T C 1.047 175.686 174.700 -0.101 0.000 1.065 1666 T CA 0.492 62.624 62.100 0.053 0.000 1.105 1666 T CB 0.873 69.753 68.868 0.020 0.000 0.979 1666 T HN 0.838 nan 8.240 nan 0.000 0.544 1667 E N 1.478 121.422 120.200 -0.426 0.000 2.077 1667 E HA -0.192 4.268 4.350 0.183 0.000 0.193 1667 E C 1.287 177.658 176.600 -0.382 0.000 0.989 1667 E CA 1.644 57.422 56.400 -1.036 0.000 0.800 1667 E CB -0.124 28.950 29.700 -1.044 0.000 0.746 1667 E HN 0.786 nan 8.360 nan 0.000 0.452 1668 D N 0.038 120.325 120.400 -0.189 0.000 2.123 1668 D HA -0.180 4.570 4.640 0.183 0.000 0.196 1668 D C 2.001 178.288 176.300 -0.021 0.000 0.992 1668 D CA 0.965 54.918 54.000 -0.078 0.000 0.833 1668 D CB -0.218 40.554 40.800 -0.045 0.000 0.954 1668 D HN 0.146 nan 8.370 nan 0.000 0.455 1669 R N -0.885 119.618 120.500 0.006 0.000 2.066 1669 R HA -0.172 4.278 4.340 0.183 0.000 0.232 1669 R C 2.334 178.707 176.300 0.121 0.000 1.131 1669 R CA 0.938 57.077 56.100 0.065 0.000 0.955 1669 R CB -0.479 29.869 30.300 0.079 0.000 0.851 1669 R HN 0.224 nan 8.270 nan 0.000 0.432 1670 Y N 1.859 122.168 120.300 0.014 0.000 2.128 1670 Y HA -0.272 4.388 4.550 0.183 0.000 0.284 1670 Y C 1.904 177.859 175.900 0.091 0.000 1.154 1670 Y CA 2.073 60.226 58.100 0.088 0.000 1.149 1670 Y CB -0.312 38.236 38.460 0.146 0.000 0.976 1670 Y HN 0.181 nan 8.280 nan 0.000 0.505 1671 N N 0.568 119.316 118.700 0.080 0.000 2.084 1671 N HA -0.228 4.622 4.740 0.183 0.000 0.190 1671 N C 1.930 177.407 175.510 -0.056 0.000 1.030 1671 N CA 1.663 54.709 53.050 -0.007 0.000 0.849 1671 N CB -0.589 37.909 38.487 0.019 0.000 1.012 1671 N HN 0.635 nan 8.380 nan 0.000 0.423 1672 E N -0.096 120.099 120.200 -0.009 0.000 2.085 1672 E HA -0.250 4.210 4.350 0.183 0.000 0.194 1672 E C 1.946 178.545 176.600 -0.001 0.000 0.994 1672 E CA 0.995 57.396 56.400 0.002 0.000 0.801 1672 E CB -0.193 29.528 29.700 0.034 0.000 0.743 1672 E HN 0.453 nan 8.360 nan 0.000 0.453 1673 Y N 0.870 121.095 120.300 -0.125 0.000 2.114 1673 Y HA -0.209 4.451 4.550 0.183 0.000 0.284 1673 Y C 2.096 177.873 175.900 -0.205 0.000 1.143 1673 Y CA 1.715 59.727 58.100 -0.146 0.000 1.135 1673 Y CB -0.479 37.887 38.460 -0.157 0.000 0.980 1673 Y HN -0.093 nan 8.280 nan 0.000 0.499 1674 V N 1.166 120.815 119.914 -0.440 0.000 2.453 1674 V HA -0.373 3.857 4.120 0.183 0.000 0.252 1674 V C 2.706 178.607 176.094 -0.322 0.000 1.068 1674 V CA 1.701 63.708 62.300 -0.488 0.000 1.070 1674 V CB -1.851 29.744 31.823 -0.380 0.000 0.664 1674 V HN 0.620 nan 8.190 nan 0.000 0.461 1675 A N 0.115 122.805 122.820 -0.216 0.000 1.851 1675 A HA -0.258 4.172 4.320 0.183 0.000 0.216 1675 A C 2.325 179.826 177.584 -0.139 0.000 1.195 1675 A CA 2.176 54.132 52.037 -0.135 0.000 0.622 1675 A CB -0.504 18.448 19.000 -0.080 0.000 0.831 1675 A HN 0.530 nan 8.150 nan 0.000 0.444 1676 K N -0.476 119.833 120.400 -0.151 0.000 2.032 1676 K HA -0.107 4.322 4.320 0.183 0.000 0.209 1676 K C 1.901 178.413 176.600 -0.147 0.000 1.048 1676 K CA 1.568 57.788 56.287 -0.113 0.000 0.927 1676 K CB -0.517 31.939 32.500 -0.073 0.000 0.712 1676 K HN 0.314 nan 8.250 nan 0.000 0.441 1677 V N 1.058 120.787 119.914 -0.307 0.000 2.332 1677 V HA -0.274 3.955 4.120 0.183 0.000 0.248 1677 V C 2.482 178.520 176.094 -0.092 0.000 1.055 1677 V CA 2.123 64.274 62.300 -0.248 0.000 1.038 1677 V CB -0.565 30.958 31.823 -0.499 0.000 0.651 1677 V HN 0.405 nan 8.190 nan 0.000 0.450 1678 S N 0.122 115.742 115.700 -0.133 0.000 2.368 1678 S HA -0.199 4.381 4.470 0.183 0.000 0.225 1678 S C 2.128 176.691 174.600 -0.061 0.000 1.030 1678 S CA 1.713 59.860 58.200 -0.087 0.000 0.999 1678 S CB -0.357 62.786 63.200 -0.095 0.000 0.844 1678 S HN 0.621 nan 8.310 nan 0.000 0.459 1679 A N 1.740 124.530 122.820 -0.050 0.000 1.933 1679 A HA -0.029 4.401 4.320 0.183 0.000 0.218 1679 A C 2.313 179.898 177.584 0.002 0.000 1.175 1679 A CA 1.223 53.247 52.037 -0.022 0.000 0.628 1679 A CB -0.626 18.365 19.000 -0.015 0.000 0.814 1679 A HN 0.576 nan 8.150 nan 0.000 0.444 1680 R N -0.754 119.760 120.500 0.022 0.000 2.070 1680 R HA -0.139 4.311 4.340 0.183 0.000 0.233 1680 R C 2.264 178.593 176.300 0.047 0.000 1.137 1680 R CA 1.393 57.539 56.100 0.077 0.000 0.945 1680 R CB -0.392 29.997 30.300 0.147 0.000 0.845 1680 R HN 0.610 nan 8.270 nan 0.000 0.430 1681 E N 1.245 121.423 120.200 -0.037 0.000 2.097 1681 E HA -0.234 4.226 4.350 0.183 0.000 0.196 1681 E C 1.758 178.249 176.600 -0.182 0.000 1.000 1681 E CA 1.645 57.824 56.400 -0.369 0.000 0.804 1681 E CB 0.086 29.543 29.700 -0.405 0.000 0.740 1681 E HN 0.296 nan 8.360 nan 0.000 0.454 1682 K N -0.199 120.156 120.400 -0.075 0.000 2.057 1682 K HA -0.042 4.388 4.320 0.183 0.000 0.207 1682 K C 2.334 178.985 176.600 0.085 0.000 1.049 1682 K CA 1.385 57.671 56.287 -0.001 0.000 0.931 1682 K CB -0.116 32.377 32.500 -0.012 0.000 0.714 1682 K HN -0.064 nan 8.250 nan 0.000 0.440 1683 S N 0.439 116.179 115.700 0.067 0.000 2.481 1683 S HA -0.025 4.555 4.470 0.183 0.000 0.231 1683 S C 1.834 176.523 174.600 0.148 0.000 0.996 1683 S CA 0.878 59.138 58.200 0.099 0.000 0.942 1683 S CB 0.060 63.303 63.200 0.073 0.000 0.768 1683 S HN 0.398 nan 8.310 nan 0.000 0.520 1684 A N -0.087 122.814 122.820 0.135 0.000 1.943 1684 A HA 0.116 4.546 4.320 0.183 0.000 0.213 1684 A C 1.796 179.521 177.584 0.235 0.000 1.181 1684 A CA 0.495 52.649 52.037 0.194 0.000 0.653 1684 A CB -0.721 18.369 19.000 0.150 0.000 0.833 1684 A HN 0.525 nan 8.150 nan 0.000 0.451 1685 Y N 1.191 121.515 120.300 0.041 0.000 2.165 1685 Y HA -0.224 4.436 4.550 0.183 0.000 0.286 1685 Y C 2.274 178.293 175.900 0.199 0.000 1.155 1685 Y CA 2.307 60.471 58.100 0.107 0.000 1.164 1685 Y CB -0.187 38.282 38.460 0.017 0.000 0.978 1685 Y HN 0.304 nan 8.280 nan 0.000 0.513 1686 K N -0.429 120.060 120.400 0.148 0.000 1.987 1686 K HA -0.284 4.146 4.320 0.183 0.000 0.216 1686 K C 2.180 178.810 176.600 0.050 0.000 1.051 1686 K CA 2.094 58.414 56.287 0.056 0.000 0.942 1686 K CB -0.947 31.626 32.500 0.121 0.000 0.722 1686 K HN 0.350 nan 8.250 nan 0.000 0.444 1687 F N 1.159 121.124 119.950 0.025 0.000 2.091 1687 F HA -0.259 4.377 4.527 0.183 0.000 0.299 1687 F C 2.118 177.921 175.800 0.006 0.000 1.103 1687 F CA 1.937 59.954 58.000 0.028 0.000 1.228 1687 F CB -0.702 38.339 39.000 0.068 0.000 0.984 1687 F HN 0.202 nan 8.300 nan 0.000 0.477 1688 F N 0.193 120.094 119.950 -0.083 0.000 2.102 1688 F HA -0.243 4.394 4.527 0.183 0.000 0.298 1688 F C 2.727 178.255 175.800 -0.453 0.000 1.105 1688 F CA 2.201 60.059 58.000 -0.237 0.000 1.239 1688 F CB -0.836 38.074 39.000 -0.150 0.000 0.991 1688 F HN 0.037 nan 8.300 nan 0.000 0.474 1689 H N -0.483 118.317 119.070 -0.450 0.000 2.495 1689 H HA -0.089 4.577 4.556 0.183 0.000 0.287 1689 H C 1.839 176.784 175.328 -0.638 0.000 1.033 1689 H CA 1.245 56.921 56.048 -0.620 0.000 1.307 1689 H CB -0.439 28.981 29.762 -0.570 0.000 1.401 1689 H HN 0.385 nan 8.280 nan 0.000 0.555 1690 N N 0.657 119.104 118.700 -0.422 0.000 2.039 1690 N HA -0.109 4.741 4.740 0.183 0.000 0.193 1690 N C 2.286 177.550 175.510 -0.410 0.000 1.044 1690 N CA 1.742 54.583 53.050 -0.348 0.000 0.847 1690 N CB -0.549 37.778 38.487 -0.267 0.000 1.030 1690 N HN 0.220 nan 8.380 nan 0.000 0.422 1691 G N -0.201 108.251 108.800 -0.581 0.000 2.509 1691 G HA2 -0.154 3.916 3.960 0.183 0.000 0.218 1691 G HA3 -0.154 3.916 3.960 0.183 0.000 0.218 1691 G C 1.450 176.126 174.900 -0.374 0.000 1.124 1691 G CA 0.372 45.207 45.100 -0.442 0.000 0.776 1691 G HN 0.321 nan 8.290 nan 0.000 0.547 1692 M N -0.083 119.097 119.600 -0.700 0.000 2.073 1692 M HA 0.123 4.713 4.480 0.183 0.000 0.259 1692 M C 2.496 178.527 176.300 -0.449 0.000 1.079 1692 M CA 1.176 55.936 55.300 -0.900 0.000 1.131 1692 M CB -0.230 31.503 32.600 -1.445 0.000 1.316 1692 M HN 0.179 nan 8.290 nan 0.000 0.415 1693 I N -0.353 119.851 120.570 -0.610 0.000 2.151 1693 I HA -0.334 3.946 4.170 0.183 0.000 0.243 1693 I C 1.219 177.107 176.117 -0.383 0.000 1.080 1693 I CA 1.640 62.519 61.300 -0.701 0.000 1.339 1693 I CB -0.189 36.956 38.000 -1.425 0.000 1.039 1693 I HN 0.347 nan 8.210 nan 0.000 0.409 1694 Y N 0.521 120.751 120.300 -0.117 0.000 2.507 1694 Y HA 0.201 4.861 4.550 0.183 0.000 0.254 1694 Y C 0.707 176.612 175.900 0.009 0.000 1.171 1694 Y CA -0.808 57.276 58.100 -0.026 0.000 1.238 1694 Y CB -0.520 37.891 38.460 -0.081 0.000 1.148 1694 Y HN 0.202 nan 8.280 nan 0.000 0.525 1695 N N 0.349 119.139 118.700 0.150 0.000 2.725 1695 N HA -0.253 4.597 4.740 0.183 0.000 0.249 1695 N C 0.364 175.934 175.510 0.100 0.000 1.103 1695 N CA 0.874 54.000 53.050 0.127 0.000 0.707 1695 N CB -1.170 37.362 38.487 0.075 0.000 1.043 1695 N HN 0.474 nan 8.380 nan 0.000 0.553 1696 K N 0.385 120.820 120.400 0.059 0.000 2.410 1696 K HA 0.259 4.689 4.320 0.183 0.000 0.200 1696 K C 1.872 178.493 176.600 0.035 0.000 1.023 1696 K CA -0.240 56.070 56.287 0.038 0.000 1.149 1696 K CB 0.328 32.817 32.500 -0.018 0.000 0.859 1696 K HN 0.200 nan 8.250 nan 0.000 0.514 1697 L N 0.192 121.463 121.223 0.080 0.000 1.989 1697 L HA -0.115 4.335 4.340 0.183 0.000 0.211 1697 L C 0.988 178.056 176.870 0.330 0.000 1.071 1697 L CA 1.142 56.083 54.840 0.168 0.000 0.749 1697 L CB -0.154 42.069 42.059 0.272 0.000 0.890 1697 L HN 0.162 nan 8.230 nan 0.000 0.431 1698 F N 0.372 120.436 119.950 0.189 0.000 2.438 1698 F HA 0.337 4.975 4.527 0.184 0.000 0.356 1698 F C -0.385 175.486 175.800 0.118 0.000 1.099 1698 F CA -0.543 57.552 58.000 0.159 0.000 1.185 1698 F CB 0.750 39.830 39.000 0.134 0.000 1.115 1698 F HN -0.399 nan 8.300 nan 0.000 0.526 1699 V N 6.226 125.910 119.914 -0.384 0.000 2.398 1699 V HA 0.187 4.417 4.120 0.183 0.000 0.282 1699 V C -0.363 175.425 176.094 -0.511 0.000 1.014 1699 V CA -0.851 61.280 62.300 -0.281 0.000 0.838 1699 V CB 1.115 32.884 31.823 -0.090 0.000 1.018 1699 V HN 0.875 nan 8.190 nan 0.000 0.432 1700 S N 5.083 120.517 115.700 -0.443 0.000 2.525 1700 S HA 0.198 4.778 4.470 0.183 0.000 0.285 1700 S C 0.108 174.606 174.600 -0.169 0.000 1.283 1700 S CA -0.335 57.685 58.200 -0.300 0.000 1.072 1700 S CB 0.289 63.530 63.200 0.067 0.000 0.867 1700 S HN 0.546 nan 8.310 nan 0.000 0.492 1701 K N 3.334 123.637 120.400 -0.162 0.000 2.412 1701 K HA 0.070 4.500 4.320 0.183 0.000 0.284 1701 K C 0.533 177.112 176.600 -0.034 0.000 1.046 1701 K CA 0.239 56.457 56.287 -0.114 0.000 0.999 1701 K CB 0.548 32.986 32.500 -0.104 0.000 0.941 1701 K HN 0.793 nan 8.250 nan 0.000 0.474 1702 E N 1.581 121.756 120.200 -0.041 0.000 2.476 1702 E HA 0.038 4.498 4.350 0.183 0.000 0.196 1702 E C -0.290 176.141 176.600 -0.282 0.000 1.029 1702 E CA 0.145 56.476 56.400 -0.114 0.000 0.896 1702 E CB 0.383 30.022 29.700 -0.101 0.000 1.012 1702 E HN 0.396 nan 8.360 nan 0.000 0.475 1703 H N -1.360 117.742 119.070 0.053 0.000 3.042 1703 H HA 0.398 5.064 4.556 0.184 0.000 0.346 1703 H C -0.846 174.547 175.328 0.108 0.000 1.294 1703 H CA -0.750 55.336 56.048 0.063 0.000 1.141 1703 H CB 1.535 31.328 29.762 0.051 0.000 1.872 1703 H HN 0.080 nan 8.280 nan 0.000 0.541 1704 A N 1.732 124.641 122.820 0.148 0.000 2.287 1704 A HA 0.383 4.813 4.320 0.183 0.000 0.273 1704 A C -1.561 175.920 177.584 -0.172 0.000 1.091 1704 A CA -1.215 50.741 52.037 -0.135 0.000 0.817 1704 A CB 0.070 18.757 19.000 -0.521 0.000 1.069 1704 A HN 0.459 nan 8.150 nan 0.000 0.492 1705 P HA -0.000 nan 4.420 nan 0.000 0.226 1705 P C -0.661 176.700 177.300 0.101 0.000 1.153 1705 P CA 1.182 64.204 63.100 -0.131 0.000 0.777 1705 P CB -0.223 31.366 31.700 -0.186 0.000 0.794 1706 Y N -2.280 118.084 120.300 0.106 0.000 2.429 1706 Y HA 0.588 5.248 4.550 0.183 0.000 0.342 1706 Y C 0.804 176.693 175.900 -0.017 0.000 1.004 1706 Y CA -2.150 55.953 58.100 0.004 0.000 1.075 1706 Y CB -0.227 38.079 38.460 -0.256 0.000 1.214 1706 Y HN -0.305 nan 8.280 nan 0.000 0.455 1707 T N -1.412 113.223 114.554 0.135 0.000 2.855 1707 T HA -0.005 4.455 4.350 0.183 0.000 0.314 1707 T C 0.568 175.328 174.700 0.101 0.000 1.077 1707 T CA 0.080 62.224 62.100 0.073 0.000 1.095 1707 T CB 0.599 69.486 68.868 0.032 0.000 0.987 1707 T HN 0.744 nan 8.240 nan 0.000 0.546 1708 D N 1.227 121.676 120.400 0.082 0.000 2.149 1708 D HA -0.091 4.659 4.640 0.183 0.000 0.198 1708 D C 1.812 178.117 176.300 0.009 0.000 0.990 1708 D CA 1.604 55.645 54.000 0.068 0.000 0.839 1708 D CB -0.112 40.727 40.800 0.066 0.000 0.948 1708 D HN 0.938 nan 8.370 nan 0.000 0.460 1709 E N -0.517 119.684 120.200 0.002 0.000 2.416 1709 E HA 0.125 4.585 4.350 0.183 0.000 0.189 1709 E C 1.352 177.922 176.600 -0.050 0.000 1.091 1709 E CA 0.121 56.508 56.400 -0.021 0.000 0.889 1709 E CB 0.220 29.915 29.700 -0.008 0.000 1.015 1709 E HN 0.244 nan 8.360 nan 0.000 0.479 1710 L N -0.188 120.991 121.223 -0.074 0.000 3.174 1710 L HA 0.127 4.577 4.340 0.183 0.000 0.283 1710 L C 2.009 178.690 176.870 -0.315 0.000 1.187 1710 L CA 0.016 54.779 54.840 -0.127 0.000 1.018 1710 L CB 0.470 42.500 42.059 -0.048 0.000 1.433 1710 L HN 0.104 nan 8.230 nan 0.000 0.593 1711 E N 1.112 121.095 120.200 -0.362 0.000 2.065 1711 E HA -0.301 4.159 4.350 0.183 0.000 0.201 1711 E C 1.454 177.403 176.600 -1.085 0.000 1.016 1711 E CA 2.183 58.083 56.400 -0.835 0.000 0.818 1711 E CB 0.188 29.630 29.700 -0.430 0.000 0.749 1711 E HN 0.510 nan 8.360 nan 0.000 0.453 1712 E N 0.093 119.967 120.200 -0.544 0.000 2.072 1712 E HA -0.173 4.287 4.350 0.183 0.000 0.191 1712 E C 1.927 178.347 176.600 -0.300 0.000 0.985 1712 E CA 1.169 57.364 56.400 -0.342 0.000 0.801 1712 E CB -0.020 29.596 29.700 -0.140 0.000 0.750 1712 E HN 0.264 nan 8.360 nan 0.000 0.452 1713 D N 0.186 120.418 120.400 -0.280 0.000 2.182 1713 D HA -0.135 4.615 4.640 0.183 0.000 0.201 1713 D C 1.945 178.104 176.300 -0.234 0.000 0.986 1713 D CA 0.753 54.634 54.000 -0.198 0.000 0.847 1713 D CB -0.074 40.633 40.800 -0.154 0.000 0.942 1713 D HN 0.029 nan 8.370 nan 0.000 0.467 1714 V N 0.369 120.012 119.914 -0.452 0.000 2.283 1714 V HA -0.224 4.006 4.120 0.183 0.000 0.243 1714 V C 1.995 177.950 176.094 -0.232 0.000 1.039 1714 V CA 1.096 63.081 62.300 -0.524 0.000 1.016 1714 V CB -0.684 30.470 31.823 -1.116 0.000 0.650 1714 V HN 0.131 nan 8.190 nan 0.000 0.449 1715 Y N 0.056 120.158 120.300 -0.330 0.000 2.298 1715 Y HA -0.136 4.524 4.550 0.183 0.000 0.287 1715 Y C 2.119 178.021 175.900 0.004 0.000 1.164 1715 Y CA 0.892 58.907 58.100 -0.143 0.000 1.229 1715 Y CB -0.735 37.609 38.460 -0.192 0.000 0.977 1715 Y HN 0.208 nan 8.280 nan 0.000 0.538 1716 L N -1.140 120.133 121.223 0.083 0.000 2.463 1716 L HA 0.083 4.532 4.340 0.183 0.000 0.219 1716 L C 0.263 177.116 176.870 -0.029 0.000 1.088 1716 L CA 0.123 54.974 54.840 0.018 0.000 0.849 1716 L CB 0.133 42.186 42.059 -0.009 0.000 1.012 1716 L HN -0.096 nan 8.230 nan 0.000 0.468 1717 D N 0.686 121.077 120.400 -0.016 0.000 2.347 1717 D HA 0.132 4.882 4.640 0.183 0.000 0.235 1717 D C -1.836 174.393 176.300 -0.118 0.000 1.149 1717 D CA -2.243 51.738 54.000 -0.031 0.000 0.850 1717 D CB 1.555 42.362 40.800 0.012 0.000 1.061 1717 D HN -0.130 nan 8.370 nan 0.000 0.487 1718 P HA 0.015 nan 4.420 nan 0.000 0.230 1718 P C 0.866 178.089 177.300 -0.128 0.000 1.158 1718 P CA 0.683 63.507 63.100 -0.460 0.000 0.769 1718 P CB 0.248 31.814 31.700 -0.222 0.000 0.807 1719 L N -2.019 119.223 121.223 0.032 0.000 2.693 1719 L HA 0.304 4.754 4.340 0.183 0.000 0.235 1719 L C 0.908 177.898 176.870 0.199 0.000 1.127 1719 L CA -0.524 54.391 54.840 0.126 0.000 0.914 1719 L CB -0.214 41.916 42.059 0.117 0.000 1.193 1719 L HN -0.182 nan 8.230 nan 0.000 0.502 1720 A N 1.492 124.474 122.820 0.270 0.000 2.492 1720 A HA 0.478 4.908 4.320 0.183 0.000 0.254 1720 A C 0.144 178.038 177.584 0.517 0.000 1.091 1720 A CA 0.267 52.519 52.037 0.358 0.000 0.768 1720 A CB 0.052 19.221 19.000 0.281 0.000 1.028 1720 A HN 0.324 nan 8.150 nan 0.000 0.498 1721 R N 1.621 122.333 120.500 0.354 0.000 2.808 1721 R HA 0.535 4.985 4.340 0.183 0.000 0.272 1721 R C -1.278 174.850 176.300 -0.287 0.000 0.995 1721 R CA -0.979 55.191 56.100 0.117 0.000 0.917 1721 R CB 1.835 32.187 30.300 0.088 0.000 1.217 1721 R HN 0.449 nan 8.270 nan 0.000 0.471 1722 V N 1.648 121.237 119.914 -0.541 0.000 2.775 1722 V HA 0.250 4.480 4.120 0.183 0.000 0.299 1722 V C 0.138 176.080 176.094 -0.253 0.000 1.062 1722 V CA 0.085 62.027 62.300 -0.597 0.000 1.063 1722 V CB 1.475 32.989 31.823 -0.515 0.000 0.994 1722 V HN 0.956 nan 8.190 nan 0.000 0.483 1723 S N 3.299 118.889 115.700 -0.184 0.000 2.570 1723 S HA 0.621 5.201 4.470 0.183 0.000 0.286 1723 S C -0.980 173.581 174.600 -0.065 0.000 1.099 1723 S CA -1.319 56.823 58.200 -0.097 0.000 0.913 1723 S CB 1.520 64.682 63.200 -0.063 0.000 1.085 1723 S HN 0.609 nan 8.310 nan 0.000 0.480 1724 K N 1.189 121.562 120.400 -0.044 0.000 2.451 1724 K HA 0.194 4.624 4.320 0.183 0.000 0.280 1724 K C -0.382 176.207 176.600 -0.018 0.000 1.020 1724 K CA -0.200 56.072 56.287 -0.025 0.000 1.008 1724 K CB 0.141 32.629 32.500 -0.020 0.000 0.917 1724 K HN 0.586 nan 8.250 nan 0.000 0.478 1725 D N 1.816 122.209 120.400 -0.011 0.000 2.344 1725 D HA 0.031 4.781 4.640 0.183 0.000 0.244 1725 D C 0.652 176.948 176.300 -0.005 0.000 1.134 1725 D CA -0.153 53.843 54.000 -0.006 0.000 0.930 1725 D CB 0.964 41.763 40.800 -0.002 0.000 1.175 1725 D HN 0.373 nan 8.370 nan 0.000 0.437 1726 K N 1.658 122.056 120.400 -0.004 0.000 1.995 1726 K HA -0.030 4.400 4.320 0.183 0.000 0.207 1726 K C 1.827 178.425 176.600 -0.004 0.000 1.041 1726 K CA 0.490 56.775 56.287 -0.003 0.000 0.942 1726 K CB -0.084 32.415 32.500 -0.002 0.000 0.731 1726 K HN 0.294 nan 8.250 nan 0.000 0.439 1727 K N 1.215 121.613 120.400 -0.003 0.000 1.987 1727 K HA -0.154 4.276 4.320 0.183 0.000 0.216 1727 K C 2.567 179.164 176.600 -0.004 0.000 1.051 1727 K CA 2.329 58.613 56.287 -0.004 0.000 0.942 1727 K CB -0.280 32.217 32.500 -0.005 0.000 0.722 1727 K HN 0.243 nan 8.250 nan 0.000 0.444 1728 S N -1.175 114.522 115.700 -0.005 0.000 2.425 1728 S HA 0.052 4.632 4.470 0.183 0.000 0.225 1728 S C 1.666 176.263 174.600 -0.004 0.000 1.024 1728 S CA 0.873 59.070 58.200 -0.004 0.000 0.951 1728 S CB 0.253 63.450 63.200 -0.005 0.000 0.796 1728 S HN 0.538 nan 8.310 nan 0.000 0.498 1729 G N 1.309 110.106 108.800 -0.005 0.000 2.212 1729 G HA2 -0.313 3.757 3.960 0.183 0.000 0.266 1729 G HA3 -0.313 3.757 3.960 0.183 0.000 0.266 1729 G C 0.321 175.217 174.900 -0.007 0.000 0.978 1729 G CA 0.511 45.608 45.100 -0.006 0.000 0.632 1729 G HN 1.323 nan 8.290 nan 0.000 0.537 1730 S N -0.155 115.543 115.700 -0.003 0.000 2.669 1730 S HA 0.747 5.326 4.470 0.183 0.000 0.270 1730 S C 0.329 174.940 174.600 0.018 0.000 1.225 1730 S CA -0.940 57.260 58.200 0.000 0.000 0.991 1730 S CB 1.631 64.830 63.200 -0.002 0.000 0.987 1730 S HN 0.572 nan 8.310 nan 0.000 0.552 1731 L N 2.443 123.696 121.223 0.049 0.000 2.283 1731 L HA 0.380 4.830 4.340 0.183 0.000 0.287 1731 L C 0.672 177.582 176.870 0.067 0.000 1.073 1731 L CA -0.270 54.603 54.840 0.055 0.000 0.822 1731 L CB 0.204 42.320 42.059 0.095 0.000 1.186 1731 L HN 1.011 nan 8.230 nan 0.000 0.436 1732 T N -0.474 114.067 114.554 -0.023 0.000 2.907 1732 T HA 0.582 5.042 4.350 0.183 0.000 0.290 1732 T C -0.492 174.135 174.700 -0.122 0.000 1.066 1732 T CA -0.678 61.413 62.100 -0.014 0.000 1.012 1732 T CB 1.481 70.377 68.868 0.046 0.000 1.184 1732 T HN 0.063 nan 8.240 nan 0.000 0.522 1733 F N 2.144 122.111 119.950 0.029 0.000 2.404 1733 F HA 0.502 5.139 4.527 0.183 0.000 0.345 1733 F C 0.906 176.719 175.800 0.021 0.000 1.110 1733 F CA -0.645 57.373 58.000 0.031 0.000 1.130 1733 F CB 1.136 40.161 39.000 0.041 0.000 1.129 1733 F HN 0.556 nan 8.300 nan 0.000 0.500 1734 N N 0.646 119.443 118.700 0.161 0.000 2.487 1734 N HA 0.171 5.021 4.740 0.183 0.000 0.292 1734 N C 0.627 176.195 175.510 0.097 0.000 1.108 1734 N CA -0.195 52.914 53.050 0.098 0.000 0.956 1734 N CB 1.594 40.112 38.487 0.053 0.000 1.176 1734 N HN 0.491 nan 8.380 nan 0.000 0.484 1735 S N 1.988 117.725 115.700 0.062 0.000 2.419 1735 S HA -0.100 4.479 4.470 0.183 0.000 0.235 1735 S C 1.163 175.787 174.600 0.040 0.000 1.019 1735 S CA 1.200 59.425 58.200 0.042 0.000 0.982 1735 S CB -0.017 63.197 63.200 0.025 0.000 0.789 1735 S HN 0.609 nan 8.310 nan 0.000 0.490 1736 K N 1.044 121.468 120.400 0.041 0.000 2.459 1736 K HA 0.184 4.614 4.320 0.183 0.000 0.193 1736 K C 0.676 177.303 176.600 0.046 0.000 1.030 1736 K CA 0.341 56.649 56.287 0.036 0.000 1.026 1736 K CB 0.068 32.585 32.500 0.028 0.000 0.809 1736 K HN 0.218 nan 8.250 nan 0.000 0.504 1737 N N 0.396 119.135 118.700 0.065 0.000 2.184 1737 N HA 0.126 4.976 4.740 0.183 0.000 0.206 1737 N C -0.152 175.419 175.510 0.101 0.000 1.151 1737 N CA 0.161 53.259 53.050 0.080 0.000 0.878 1737 N CB 0.986 39.523 38.487 0.084 0.000 1.014 1737 N HN 0.076 nan 8.380 nan 0.000 0.512 1738 I N 2.282 122.904 120.570 0.087 0.000 2.291 1738 I HA 0.076 4.356 4.170 0.183 0.000 0.292 1738 I C 0.124 176.263 176.117 0.038 0.000 1.064 1738 I CA -0.002 61.340 61.300 0.070 0.000 1.269 1738 I CB 0.529 38.553 38.000 0.040 0.000 1.418 1738 I HN -0.093 nan 8.210 nan 0.000 0.485 1739 Q N 2.223 122.047 119.800 0.040 0.000 2.501 1739 Q HA -0.133 4.317 4.340 0.183 0.000 0.275 1739 Q C 0.055 176.068 176.000 0.021 0.000 1.074 1739 Q CA 0.624 56.437 55.803 0.018 0.000 0.974 1739 Q CB -1.577 27.158 28.738 -0.005 0.000 1.307 1739 Q HN 0.842 nan 8.270 nan 0.000 0.513 1740 S N -1.483 114.244 115.700 0.046 0.000 2.632 1740 S HA 0.524 5.104 4.470 0.183 0.000 0.271 1740 S C 1.021 175.662 174.600 0.067 0.000 1.260 1740 S CA -0.449 57.780 58.200 0.049 0.000 1.010 1740 S CB 2.308 65.541 63.200 0.056 0.000 0.965 1740 S HN 0.207 nan 8.310 nan 0.000 0.534 1741 K N 0.515 120.952 120.400 0.062 0.000 2.057 1741 K HA -0.041 4.389 4.320 0.183 0.000 0.206 1741 K C 1.255 177.933 176.600 0.130 0.000 1.050 1741 K CA 1.499 57.842 56.287 0.093 0.000 0.935 1741 K CB -0.429 32.111 32.500 0.067 0.000 0.715 1741 K HN 0.646 nan 8.250 nan 0.000 0.439 1742 D N -0.526 119.927 120.400 0.088 0.000 2.218 1742 D HA -0.115 4.635 4.640 0.183 0.000 0.204 1742 D C 1.660 178.010 176.300 0.082 0.000 0.976 1742 D CA 1.459 55.504 54.000 0.075 0.000 0.853 1742 D CB -0.063 40.768 40.800 0.052 0.000 0.939 1742 D HN 0.341 nan 8.370 nan 0.000 0.481 1743 S N -1.095 114.667 115.700 0.103 0.000 2.496 1743 S HA -0.095 4.485 4.470 0.183 0.000 0.224 1743 S C 1.974 176.659 174.600 0.142 0.000 0.996 1743 S CA -0.080 58.182 58.200 0.104 0.000 0.927 1743 S CB -0.272 62.990 63.200 0.105 0.000 0.774 1743 S HN 0.224 nan 8.310 nan 0.000 0.524 1744 Y N 2.274 122.591 120.300 0.028 0.000 2.176 1744 Y HA 0.184 4.844 4.550 0.183 0.000 0.291 1744 Y C 1.865 177.782 175.900 0.027 0.000 1.122 1744 Y CA 0.829 58.945 58.100 0.026 0.000 1.128 1744 Y CB -0.603 37.869 38.460 0.020 0.000 1.005 1744 Y HN 0.195 nan 8.280 nan 0.000 0.509 1745 I N 0.602 121.193 120.570 0.034 0.000 2.118 1745 I HA -0.414 3.866 4.170 0.183 0.000 0.241 1745 I C 1.843 177.928 176.117 -0.053 0.000 1.070 1745 I CA 1.924 63.202 61.300 -0.037 0.000 1.327 1745 I CB -0.581 37.440 38.000 0.035 0.000 1.034 1745 I HN 0.237 nan 8.210 nan 0.000 0.405 1746 N N 0.930 119.625 118.700 -0.007 0.000 2.381 1746 N HA 0.015 4.865 4.740 0.183 0.000 0.182 1746 N C 0.771 176.274 175.510 -0.011 0.000 1.025 1746 N CA 0.885 53.934 53.050 -0.002 0.000 0.888 1746 N CB -0.415 38.083 38.487 0.018 0.000 0.965 1746 N HN 0.361 nan 8.380 nan 0.000 0.438 1747 A N 0.000 122.803 122.820 -0.028 0.000 2.254 1747 A HA 0.000 4.430 4.320 0.183 0.000 0.244 1747 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 1747 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 1747 A HN 0.000 nan 8.150 nan 0.000 0.486