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_A 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 0.012 0.000 0.988 1 M CB 0.000 32.608 32.600 0.014 0.000 1.302 2 K N 4.401 124.807 120.400 0.010 0.000 2.379 2 K HA 0.268 4.587 4.320 -0.003 0.000 0.284 2 K C -2.132 174.474 176.600 0.010 0.000 1.044 2 K CA -1.108 55.184 56.287 0.009 0.000 0.974 2 K CB 1.043 33.547 32.500 0.007 0.000 0.962 2 K HN 0.230 nan 8.250 nan 0.000 0.474 3 P HA -0.228 nan 4.420 nan 0.000 0.217 3 P C 0.179 177.486 177.300 0.011 0.000 1.162 3 P CA 1.639 64.746 63.100 0.011 0.000 0.901 3 P CB 0.224 31.930 31.700 0.009 0.000 0.793 4 E N -0.971 119.234 120.200 0.008 0.000 2.110 4 E HA -0.114 4.235 4.350 -0.003 0.000 0.193 4 E C 2.054 178.658 176.600 0.005 0.000 0.988 4 E CA 0.812 57.215 56.400 0.005 0.000 0.804 4 E CB -1.230 28.470 29.700 0.000 0.000 0.745 4 E HN 0.018 nan 8.360 nan 0.000 0.458 5 V N 1.023 120.941 119.914 0.007 0.000 2.295 5 V HA -0.291 3.828 4.120 -0.003 0.000 0.246 5 V C 2.352 178.456 176.094 0.017 0.000 1.049 5 V CA 2.077 64.382 62.300 0.009 0.000 1.024 5 V CB -0.362 31.467 31.823 0.009 0.000 0.648 5 V HN 0.311 nan 8.190 nan 0.000 0.447 6 E N -0.565 119.646 120.200 0.019 0.000 2.038 6 E HA -0.293 4.055 4.350 -0.003 0.000 0.195 6 E C 2.304 178.925 176.600 0.036 0.000 1.000 6 E CA 1.811 58.226 56.400 0.026 0.000 0.803 6 E CB -0.129 29.585 29.700 0.023 0.000 0.750 6 E HN 0.625 nan 8.360 nan 0.000 0.448 7 Q N 0.308 120.128 119.800 0.034 0.000 1.978 7 Q HA -0.302 4.037 4.340 -0.003 0.000 0.211 7 Q C 2.250 178.289 176.000 0.066 0.000 1.013 7 Q CA 2.215 58.047 55.803 0.048 0.000 0.869 7 Q CB -0.335 28.422 28.738 0.033 0.000 0.953 7 Q HN 0.365 nan 8.270 nan 0.000 0.415 8 E N 0.091 120.308 120.200 0.028 0.000 2.108 8 E HA -0.255 4.093 4.350 -0.003 0.000 0.203 8 E C 2.065 178.697 176.600 0.054 0.000 1.022 8 E CA 1.472 57.873 56.400 0.002 0.000 0.823 8 E CB -0.146 29.542 29.700 -0.020 0.000 0.744 8 E HN 0.288 nan 8.360 nan 0.000 0.456 9 L N -0.027 121.229 121.223 0.055 0.000 1.988 9 L HA -0.142 4.197 4.340 -0.003 0.000 0.207 9 L C 2.701 179.624 176.870 0.088 0.000 1.071 9 L CA 1.138 56.017 54.840 0.065 0.000 0.744 9 L CB -0.537 41.549 42.059 0.045 0.000 0.893 9 L HN 0.210 nan 8.230 nan 0.000 0.433 10 A N -0.638 122.229 122.820 0.078 0.000 1.948 10 A HA -0.336 3.982 4.320 -0.003 0.000 0.220 10 A C 2.065 179.699 177.584 0.084 0.000 1.177 10 A CA 2.218 54.296 52.037 0.068 0.000 0.636 10 A CB -1.073 17.959 19.000 0.054 0.000 0.815 10 A HN 0.648 nan 8.150 nan 0.000 0.449 11 H N 0.527 119.604 119.070 0.012 0.000 2.253 11 H HA -0.153 4.402 4.556 -0.003 0.000 0.296 11 H C 1.941 177.275 175.328 0.010 0.000 1.074 11 H CA 2.447 58.500 56.048 0.008 0.000 1.263 11 H CB -0.349 29.416 29.762 0.005 0.000 1.363 11 H HN 0.532 nan 8.280 nan 0.000 0.489 12 I N -0.679 120.082 120.570 0.319 0.000 2.361 12 I HA -0.145 4.024 4.170 -0.003 0.000 0.251 12 I C 2.244 178.405 176.117 0.072 0.000 1.133 12 I CA 1.389 62.824 61.300 0.224 0.000 1.413 12 I CB -0.365 37.753 38.000 0.198 0.000 1.073 12 I HN 0.338 nan 8.210 nan 0.000 0.424 13 L N 1.190 122.451 121.223 0.063 0.000 2.042 13 L HA -0.180 4.159 4.340 -0.003 0.000 0.210 13 L C 2.281 179.159 176.870 0.014 0.000 1.076 13 L CA 1.870 56.737 54.840 0.046 0.000 0.749 13 L CB -0.986 41.101 42.059 0.047 0.000 0.893 13 L HN 0.456 nan 8.230 nan 0.000 0.432 14 L N -0.840 120.364 121.223 -0.031 0.000 2.046 14 L HA -0.200 4.138 4.340 -0.003 0.000 0.208 14 L C 2.454 179.269 176.870 -0.092 0.000 1.077 14 L CA 2.519 57.319 54.840 -0.066 0.000 0.747 14 L CB -1.045 40.950 42.059 -0.107 0.000 0.896 14 L HN 0.609 nan 8.230 nan 0.000 0.432 15 T N -1.343 113.122 114.554 -0.148 0.000 2.904 15 T HA -0.143 4.206 4.350 -0.003 0.000 0.267 15 T C 1.714 176.372 174.700 -0.070 0.000 1.059 15 T CA 1.010 63.029 62.100 -0.135 0.000 1.137 15 T CB -0.057 68.711 68.868 -0.167 0.000 0.879 15 T HN 0.363 nan 8.240 nan 0.000 0.467 16 E N 1.191 121.379 120.200 -0.019 0.000 2.017 16 E HA -0.050 4.298 4.350 -0.003 0.000 0.193 16 E C 2.355 179.006 176.600 0.084 0.000 0.997 16 E CA 1.128 57.548 56.400 0.033 0.000 0.804 16 E CB -0.658 29.116 29.700 0.122 0.000 0.757 16 E HN 0.523 nan 8.360 nan 0.000 0.448 17 L N 0.604 121.876 121.223 0.081 0.000 2.089 17 L HA -0.235 4.103 4.340 -0.003 0.000 0.213 17 L C 2.615 179.522 176.870 0.061 0.000 1.079 17 L CA 1.048 55.942 54.840 0.089 0.000 0.758 17 L CB -0.470 41.621 42.059 0.054 0.000 0.891 17 L HN 0.100 nan 8.230 nan 0.000 0.433 18 L N -1.218 120.004 121.223 -0.001 0.000 2.131 18 L HA -0.088 4.251 4.340 -0.003 0.000 0.206 18 L C 2.832 179.664 176.870 -0.062 0.000 1.087 18 L CA 0.849 55.663 54.840 -0.044 0.000 0.767 18 L CB -0.656 41.355 42.059 -0.080 0.000 0.917 18 L HN 0.204 nan 8.230 nan 0.000 0.441 19 A N -0.275 122.499 122.820 -0.077 0.000 1.845 19 A HA -0.242 4.076 4.320 -0.003 0.000 0.215 19 A C 2.043 179.626 177.584 -0.002 0.000 1.195 19 A CA 1.559 53.528 52.037 -0.114 0.000 0.616 19 A CB -1.080 17.760 19.000 -0.265 0.000 0.832 19 A HN 0.407 nan 8.150 nan 0.000 0.443 20 Y N -0.297 120.054 120.300 0.086 0.000 2.571 20 Y HA -0.136 4.412 4.550 -0.003 0.000 0.294 20 Y C 2.616 178.585 175.900 0.116 0.000 1.141 20 Y CA 0.805 58.968 58.100 0.105 0.000 1.308 20 Y CB 0.048 38.548 38.460 0.067 0.000 1.002 20 Y HN 0.460 nan 8.280 nan 0.000 0.551 21 Q N 0.130 120.064 119.800 0.223 0.000 2.248 21 Q HA -0.242 4.096 4.340 -0.003 0.000 0.208 21 Q C 1.839 177.961 176.000 0.204 0.000 0.984 21 Q CA 1.358 57.252 55.803 0.153 0.000 0.875 21 Q CB -0.351 28.423 28.738 0.060 0.000 0.910 21 Q HN 0.477 nan 8.270 nan 0.000 0.433 22 F N 0.326 120.315 119.950 0.066 0.000 2.115 22 F HA -0.238 4.287 4.527 -0.003 0.000 0.300 22 F C 2.162 177.995 175.800 0.055 0.000 1.092 22 F CA 1.455 59.483 58.000 0.046 0.000 1.245 22 F CB -0.716 38.305 39.000 0.035 0.000 0.995 22 F HN 0.205 nan 8.300 nan 0.000 0.481 23 A N -1.389 121.604 122.820 0.287 0.000 1.919 23 A HA 0.099 4.418 4.320 -0.003 0.000 0.211 23 A C 1.404 179.057 177.584 0.114 0.000 1.310 23 A CA 0.602 52.725 52.037 0.143 0.000 0.651 23 A CB -1.175 17.900 19.000 0.124 0.000 0.996 23 A HN 0.193 nan 8.150 nan 0.000 0.479 24 S N 0.972 116.741 115.700 0.116 0.000 2.550 24 S HA 0.251 4.720 4.470 -0.003 0.000 0.285 24 S C -2.286 172.364 174.600 0.084 0.000 1.326 24 S CA -0.765 57.483 58.200 0.079 0.000 1.037 24 S CB 0.059 63.301 63.200 0.070 0.000 0.838 24 S HN 0.253 nan 8.310 nan 0.000 0.519 25 P HA 0.280 nan 4.420 nan 0.000 0.276 25 P C -1.246 176.104 177.300 0.085 0.000 1.261 25 P CA -0.700 62.441 63.100 0.069 0.000 0.800 25 P CB 0.361 32.095 31.700 0.056 0.000 1.066 26 V N 2.151 122.118 119.914 0.090 0.000 2.339 26 V HA 0.196 4.315 4.120 -0.003 0.000 0.261 26 V C 1.041 177.237 176.094 0.169 0.000 1.058 26 V CA -0.307 62.067 62.300 0.123 0.000 0.897 26 V CB -0.377 31.497 31.823 0.086 0.000 1.052 26 V HN 0.396 nan 8.190 nan 0.000 0.480 27 R N 4.478 125.084 120.500 0.176 0.000 4.556 27 R HA 0.036 4.374 4.340 -0.003 0.000 0.197 27 R C 0.987 177.424 176.300 0.228 0.000 1.791 27 R CA -0.199 55.998 56.100 0.161 0.000 1.526 27 R CB 0.069 30.430 30.300 0.101 0.000 1.410 27 R HN 0.877 nan 8.270 nan 0.000 0.826 28 W N 1.539 122.863 121.300 0.041 0.000 2.476 28 W HA -0.077 4.581 4.660 -0.003 0.000 0.281 28 W C 1.167 177.710 176.519 0.039 0.000 1.230 28 W CA 0.690 58.068 57.345 0.055 0.000 1.287 28 W CB 0.176 29.670 29.460 0.057 0.000 1.108 28 W HN 0.305 nan 8.180 nan 0.000 0.567 29 I N 0.904 121.527 120.570 0.088 0.000 2.179 29 I HA -0.325 3.843 4.170 -0.003 0.000 0.242 29 I C 2.145 178.197 176.117 -0.109 0.000 1.088 29 I CA 1.586 62.870 61.300 -0.027 0.000 1.357 29 I CB -0.678 37.336 38.000 0.023 0.000 1.051 29 I HN -0.044 nan 8.210 nan 0.000 0.409 30 E N 0.487 120.649 120.200 -0.063 0.000 2.110 30 E HA -0.166 4.182 4.350 -0.003 0.000 0.193 30 E C 2.123 178.636 176.600 -0.144 0.000 0.988 30 E CA 1.738 58.090 56.400 -0.080 0.000 0.804 30 E CB -0.359 29.324 29.700 -0.028 0.000 0.745 30 E HN 0.461 nan 8.360 nan 0.000 0.458 31 T N 1.603 116.050 114.554 -0.178 0.000 2.674 31 T HA -0.187 4.161 4.350 -0.003 0.000 0.265 31 T C 1.940 176.374 174.700 -0.443 0.000 1.039 31 T CA 1.319 63.275 62.100 -0.239 0.000 1.150 31 T CB -0.243 68.440 68.868 -0.309 0.000 0.864 31 T HN 0.189 nan 8.240 nan 0.000 0.427 32 Q N 0.584 119.944 119.800 -0.734 0.000 2.152 32 Q HA -0.176 4.162 4.340 -0.003 0.000 0.206 32 Q C 2.048 177.429 176.000 -1.032 0.000 0.985 32 Q CA 1.505 56.624 55.803 -1.141 0.000 0.863 32 Q CB -0.236 28.050 28.738 -0.753 0.000 0.904 32 Q HN 0.484 nan 8.270 nan 0.000 0.422 33 D N -0.254 119.844 120.400 -0.503 0.000 2.178 33 D HA -0.098 4.540 4.640 -0.003 0.000 0.202 33 D C 1.924 178.058 176.300 -0.275 0.000 0.974 33 D CA 0.629 54.461 54.000 -0.280 0.000 0.841 33 D CB -0.095 40.628 40.800 -0.128 0.000 0.953 33 D HN 0.046 nan 8.370 nan 0.000 0.478 34 V N 1.202 120.968 119.914 -0.247 0.000 2.261 34 V HA -0.238 3.881 4.120 -0.003 0.000 0.246 34 V C 2.231 178.342 176.094 0.029 0.000 1.047 34 V CA 1.876 64.110 62.300 -0.110 0.000 1.015 34 V CB -0.655 31.181 31.823 0.022 0.000 0.642 34 V HN 0.239 nan 8.190 nan 0.000 0.446 35 F N -1.151 118.858 119.950 0.097 0.000 2.416 35 F HA 0.154 4.679 4.527 -0.003 0.000 0.296 35 F C 1.903 177.731 175.800 0.045 0.000 1.099 35 F CA 0.955 59.094 58.000 0.232 0.000 1.427 35 F CB -0.863 38.176 39.000 0.065 0.000 1.079 35 F HN 0.007 nan 8.300 nan 0.000 0.536 36 L N 0.214 121.114 121.223 -0.538 0.000 2.109 36 L HA -0.041 4.297 4.340 -0.003 0.000 0.207 36 L C 2.598 179.278 176.870 -0.317 0.000 1.086 36 L CA 1.680 56.207 54.840 -0.521 0.000 0.760 36 L CB -0.331 41.120 42.059 -1.013 0.000 0.910 36 L HN 0.253 nan 8.230 nan 0.000 0.437 37 K N -1.023 119.248 120.400 -0.215 0.000 2.325 37 K HA -0.023 4.295 4.320 -0.003 0.000 0.203 37 K C 1.527 178.090 176.600 -0.061 0.000 1.128 37 K CA 0.302 56.517 56.287 -0.121 0.000 0.931 37 K CB 0.364 32.795 32.500 -0.114 0.000 1.125 37 K HN -0.005 nan 8.250 nan 0.000 0.487 38 D N 0.207 120.522 120.400 -0.141 0.000 2.144 38 D HA -0.100 4.539 4.640 -0.003 0.000 0.200 38 D C 1.359 177.496 176.300 -0.272 0.000 0.978 38 D CA 1.188 55.034 54.000 -0.256 0.000 0.833 38 D CB 0.025 40.556 40.800 -0.448 0.000 0.961 38 D HN 0.181 nan 8.370 nan 0.000 0.470 39 F N 0.237 120.206 119.950 0.032 0.000 2.582 39 F HA 0.167 4.693 4.527 -0.003 0.000 0.290 39 F C 0.616 176.451 175.800 0.060 0.000 1.115 39 F CA -0.003 58.028 58.000 0.052 0.000 1.445 39 F CB -0.137 38.907 39.000 0.074 0.000 1.126 39 F HN -0.206 nan 8.300 nan 0.000 0.574 40 N N 1.245 120.077 118.700 0.220 0.000 2.727 40 N HA -0.158 4.580 4.740 -0.003 0.000 0.251 40 N C -0.391 175.206 175.510 0.147 0.000 1.040 40 N CA 0.873 54.027 53.050 0.173 0.000 0.712 40 N CB -1.696 36.899 38.487 0.180 0.000 0.912 40 N HN 0.097 nan 8.380 nan 0.000 0.545 41 T N 0.500 115.149 114.554 0.159 0.000 2.928 41 T HA 0.050 4.398 4.350 -0.003 0.000 0.305 41 T C 1.615 176.344 174.700 0.049 0.000 1.035 41 T CA 0.220 62.386 62.100 0.110 0.000 1.145 41 T CB 1.104 70.069 68.868 0.163 0.000 0.963 41 T HN 0.224 nan 8.240 nan 0.000 0.545 42 E N 1.596 121.801 120.200 0.010 0.000 2.372 42 E HA 0.114 4.463 4.350 -0.003 0.000 0.201 42 E C 0.689 177.240 176.600 -0.082 0.000 0.938 42 E CA 0.187 56.560 56.400 -0.046 0.000 0.944 42 E CB 0.559 30.235 29.700 -0.041 0.000 0.937 42 E HN 0.323 nan 8.360 nan 0.000 0.495 43 R N 1.464 121.934 120.500 -0.050 0.000 2.352 43 R HA 0.279 4.617 4.340 -0.003 0.000 0.304 43 R C -1.415 174.846 176.300 -0.066 0.000 1.104 43 R CA -0.275 55.788 56.100 -0.062 0.000 0.991 43 R CB 1.958 32.227 30.300 -0.052 0.000 1.140 43 R HN -0.086 nan 8.270 nan 0.000 0.540 44 V N 5.341 125.224 119.914 -0.052 0.000 2.364 44 V HA 0.364 4.483 4.120 -0.003 0.000 0.272 44 V C -0.566 175.484 176.094 -0.072 0.000 1.036 44 V CA -0.344 61.907 62.300 -0.082 0.000 0.880 44 V CB 1.458 33.280 31.823 -0.002 0.000 0.991 44 V HN 0.351 nan 8.190 nan 0.000 0.460 45 V N 6.920 126.774 119.914 -0.101 0.000 2.398 45 V HA 0.435 4.553 4.120 -0.003 0.000 0.286 45 V C 0.080 176.147 176.094 -0.045 0.000 1.026 45 V CA -0.551 61.708 62.300 -0.068 0.000 0.868 45 V CB 1.751 33.524 31.823 -0.084 0.000 0.982 45 V HN 0.987 nan 8.190 nan 0.000 0.443 46 E N 5.546 125.746 120.200 0.000 0.000 2.174 46 E HA 0.433 4.781 4.350 -0.003 0.000 0.282 46 E C -0.959 175.666 176.600 0.042 0.000 0.992 46 E CA -0.558 55.856 56.400 0.022 0.000 0.803 46 E CB 1.075 30.803 29.700 0.045 0.000 1.090 46 E HN 0.642 nan 8.360 nan 0.000 0.396 47 I N 5.213 125.788 120.570 0.009 0.000 2.361 47 I HA 0.479 4.647 4.170 -0.003 0.000 0.282 47 I C 0.296 176.384 176.117 -0.049 0.000 1.075 47 I CA -0.392 60.900 61.300 -0.014 0.000 1.205 47 I CB 0.733 38.693 38.000 -0.067 0.000 1.406 47 I HN 0.628 nan 8.210 nan 0.000 0.481 48 G N 5.857 114.644 108.800 -0.021 0.000 2.559 48 G HA2 0.431 4.389 3.960 -0.003 0.000 0.291 48 G HA3 0.431 4.389 3.960 -0.003 0.000 0.291 48 G C -2.690 172.207 174.900 -0.004 0.000 1.424 48 G CA -0.499 44.579 45.100 -0.037 0.000 0.786 48 G HN 0.177 nan 8.290 nan 0.000 0.485 49 P HA 0.024 nan 4.420 nan 0.000 0.215 49 P C 1.031 178.347 177.300 0.027 0.000 1.157 49 P CA 1.757 64.860 63.100 0.005 0.000 0.868 49 P CB 0.153 31.846 31.700 -0.011 0.000 0.788 50 S N -3.379 112.331 115.700 0.017 0.000 2.704 50 S HA 0.582 5.050 4.470 -0.003 0.000 0.296 50 S C -2.797 171.817 174.600 0.024 0.000 1.138 50 S CA -1.575 56.639 58.200 0.023 0.000 0.875 50 S CB 1.378 64.586 63.200 0.013 0.000 1.151 50 S HN -0.217 nan 8.310 nan 0.000 0.500 51 P HA 0.222 nan 4.420 nan 0.000 0.236 51 P C 1.092 178.414 177.300 0.036 0.000 1.709 51 P CA -0.114 63.008 63.100 0.035 0.000 0.942 51 P CB -0.394 31.328 31.700 0.036 0.000 1.615 52 T N -2.836 111.732 114.554 0.023 0.000 2.732 52 T HA -0.090 4.258 4.350 -0.003 0.000 0.261 52 T C 1.694 176.419 174.700 0.042 0.000 1.040 52 T CA 0.882 62.993 62.100 0.019 0.000 1.145 52 T CB -1.132 67.730 68.868 -0.011 0.000 0.866 52 T HN 0.069 nan 8.240 nan 0.000 0.427 53 L N 0.816 122.065 121.223 0.043 0.000 2.456 53 L HA 0.162 4.501 4.340 -0.003 0.000 0.224 53 L C 3.058 180.047 176.870 0.198 0.000 1.148 53 L CA 0.600 55.516 54.840 0.127 0.000 0.825 53 L CB -0.573 41.553 42.059 0.111 0.000 0.937 53 L HN 0.453 nan 8.230 nan 0.000 0.450 54 A N 0.133 123.028 122.820 0.125 0.000 1.843 54 A HA -0.007 4.311 4.320 -0.003 0.000 0.213 54 A C 2.354 180.002 177.584 0.107 0.000 1.202 54 A CA 1.202 53.307 52.037 0.113 0.000 0.607 54 A CB -1.211 17.832 19.000 0.073 0.000 0.847 54 A HN 0.358 nan 8.150 nan 0.000 0.445 55 G N -0.710 108.141 108.800 0.085 0.000 2.479 55 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.220 55 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.220 55 G C 1.529 176.486 174.900 0.094 0.000 1.115 55 G CA 1.301 46.446 45.100 0.076 0.000 0.757 55 G HN 0.463 nan 8.290 nan 0.000 0.560 56 M N 0.804 120.481 119.600 0.127 0.000 2.062 56 M HA 0.132 4.611 4.480 -0.003 0.000 0.259 56 M C 2.820 179.218 176.300 0.164 0.000 1.076 56 M CA 1.825 57.226 55.300 0.169 0.000 1.122 56 M CB -0.101 32.653 32.600 0.257 0.000 1.312 56 M HN 0.215 nan 8.290 nan 0.000 0.412 57 A N -0.445 122.489 122.820 0.190 0.000 2.125 57 A HA -0.197 4.121 4.320 -0.003 0.000 0.219 57 A C 1.903 179.527 177.584 0.068 0.000 1.156 57 A CA 1.576 53.688 52.037 0.126 0.000 0.671 57 A CB -0.708 18.413 19.000 0.202 0.000 0.794 57 A HN 0.733 nan 8.150 nan 0.000 0.459 58 Q N -0.830 119.018 119.800 0.079 0.000 2.062 58 Q HA -0.098 4.241 4.340 -0.003 0.000 0.196 58 Q C 2.345 178.383 176.000 0.062 0.000 0.967 58 Q CA 1.204 57.044 55.803 0.061 0.000 0.832 58 Q CB -0.138 28.636 28.738 0.061 0.000 0.899 58 Q HN 0.639 nan 8.270 nan 0.000 0.442 59 R N 0.153 120.693 120.500 0.067 0.000 2.094 59 R HA -0.125 4.213 4.340 -0.003 0.000 0.239 59 R C 2.422 178.765 176.300 0.070 0.000 1.137 59 R CA 1.986 58.124 56.100 0.064 0.000 0.943 59 R CB -0.603 29.736 30.300 0.064 0.000 0.850 59 R HN 0.228 nan 8.270 nan 0.000 0.433 60 T N 1.488 116.085 114.554 0.072 0.000 2.721 60 T HA -0.178 4.171 4.350 -0.003 0.000 0.268 60 T C 1.800 176.593 174.700 0.155 0.000 1.038 60 T CA 1.283 63.433 62.100 0.084 0.000 1.145 60 T CB -0.202 68.686 68.868 0.033 0.000 0.858 60 T HN 0.143 nan 8.240 nan 0.000 0.459 61 L N 0.290 121.576 121.223 0.104 0.000 2.027 61 L HA -0.056 4.283 4.340 -0.003 0.000 0.206 61 L C 2.767 179.739 176.870 0.170 0.000 1.074 61 L CA 1.375 56.306 54.840 0.152 0.000 0.745 61 L CB -0.437 41.650 42.059 0.046 0.000 0.898 61 L HN 0.197 nan 8.230 nan 0.000 0.433 62 K N 0.116 120.579 120.400 0.105 0.000 2.097 62 K HA -0.156 4.163 4.320 -0.003 0.000 0.206 62 K C 1.785 178.425 176.600 0.067 0.000 1.049 62 K CA 1.355 57.691 56.287 0.081 0.000 0.933 62 K CB 0.091 32.627 32.500 0.061 0.000 0.717 62 K HN 0.271 nan 8.250 nan 0.000 0.442 63 N N 0.499 119.238 118.700 0.065 0.000 2.396 63 N HA -0.078 4.660 4.740 -0.003 0.000 0.180 63 N C 0.773 176.282 175.510 -0.001 0.000 1.028 63 N CA 1.081 54.151 53.050 0.033 0.000 0.893 63 N CB 0.280 38.787 38.487 0.033 0.000 0.967 63 N HN 0.267 nan 8.380 nan 0.000 0.440 64 K N -1.770 118.632 120.400 0.003 0.000 2.658 64 K HA 0.180 4.498 4.320 -0.003 0.000 0.202 64 K C 0.252 176.652 176.600 -0.333 0.000 1.563 64 K CA 0.003 56.178 56.287 -0.186 0.000 1.129 64 K CB 0.521 32.843 32.500 -0.295 0.000 1.507 64 K HN 0.002 nan 8.250 nan 0.000 0.581 65 Y N 1.410 121.696 120.300 -0.024 0.000 2.485 65 Y HA 0.121 4.670 4.550 -0.003 0.000 0.260 65 Y C 1.743 177.686 175.900 0.072 0.000 1.173 65 Y CA -0.133 57.976 58.100 0.016 0.000 1.252 65 Y CB 0.455 38.909 38.460 -0.009 0.000 1.123 65 Y HN 0.028 nan 8.280 nan 0.000 0.524 66 E N 0.646 120.924 120.200 0.129 0.000 2.095 66 E HA -0.278 4.071 4.350 -0.003 0.000 0.212 66 E C 2.394 179.054 176.600 0.100 0.000 1.044 66 E CA 2.273 58.731 56.400 0.098 0.000 0.857 66 E CB -0.267 29.464 29.700 0.052 0.000 0.764 66 E HN 0.226 nan 8.360 nan 0.000 0.462 67 S N -2.046 113.706 115.700 0.087 0.000 2.387 67 S HA -0.062 4.407 4.470 -0.003 0.000 0.221 67 S C 1.841 176.511 174.600 0.116 0.000 1.041 67 S CA 0.644 58.890 58.200 0.077 0.000 0.959 67 S CB -0.664 62.564 63.200 0.046 0.000 0.843 67 S HN 0.472 nan 8.310 nan 0.000 0.488 68 Y N 2.640 122.951 120.300 0.019 0.000 2.069 68 Y HA -0.260 4.289 4.550 -0.003 0.000 0.278 68 Y C 1.922 177.868 175.900 0.076 0.000 1.175 68 Y CA 2.530 60.659 58.100 0.048 0.000 1.134 68 Y CB -0.685 37.826 38.460 0.085 0.000 0.965 68 Y HN 0.307 nan 8.280 nan 0.000 0.498 69 D N -0.208 120.364 120.400 0.286 0.000 2.092 69 D HA -0.231 4.407 4.640 -0.003 0.000 0.193 69 D C 2.323 178.662 176.300 0.064 0.000 0.994 69 D CA 1.698 55.802 54.000 0.173 0.000 0.828 69 D CB -0.883 40.033 40.800 0.194 0.000 0.963 69 D HN 0.475 nan 8.370 nan 0.000 0.450 70 A N 1.077 123.936 122.820 0.065 0.000 1.849 70 A HA -0.166 4.153 4.320 -0.003 0.000 0.217 70 A C 2.329 179.912 177.584 -0.003 0.000 1.202 70 A CA 3.096 55.153 52.037 0.033 0.000 0.629 70 A CB -1.225 17.796 19.000 0.034 0.000 0.834 70 A HN 0.260 nan 8.150 nan 0.000 0.447 71 A N -0.587 122.217 122.820 -0.026 0.000 1.865 71 A HA -0.065 4.254 4.320 -0.003 0.000 0.217 71 A C 2.028 179.562 177.584 -0.083 0.000 1.191 71 A CA 1.620 53.624 52.037 -0.054 0.000 0.623 71 A CB -0.753 18.207 19.000 -0.068 0.000 0.826 71 A HN 0.503 nan 8.150 nan 0.000 0.444 72 L N 1.168 122.301 121.223 -0.151 0.000 2.675 72 L HA -0.054 4.284 4.340 -0.003 0.000 0.238 72 L C 1.280 178.106 176.870 -0.074 0.000 1.155 72 L CA 0.610 55.352 54.840 -0.163 0.000 0.881 72 L CB -0.607 41.256 42.059 -0.327 0.000 1.008 72 L HN 0.727 nan 8.230 nan 0.000 0.443 73 S N 0.025 115.704 115.700 -0.035 0.000 3.486 73 S HA -0.190 4.278 4.470 -0.003 0.000 0.371 73 S C -0.070 174.548 174.600 0.030 0.000 1.001 73 S CA 0.650 58.852 58.200 0.004 0.000 1.164 73 S CB -2.639 60.561 63.200 -0.000 0.000 0.911 73 S HN 0.380 nan 8.310 nan 0.000 0.472 74 L N -0.411 120.837 121.223 0.041 0.000 2.265 74 L HA 0.621 4.959 4.340 -0.003 0.000 0.289 74 L C 0.265 177.208 176.870 0.121 0.000 1.033 74 L CA -0.858 54.026 54.840 0.072 0.000 0.814 74 L CB 0.741 42.836 42.059 0.060 0.000 1.203 74 L HN 0.428 nan 8.230 nan 0.000 0.423 75 H N 4.481 123.571 119.070 0.034 0.000 2.800 75 H HA 0.395 4.949 4.556 -0.003 0.000 0.291 75 H C -0.762 174.591 175.328 0.041 0.000 1.076 75 H CA -0.522 55.548 56.048 0.036 0.000 1.452 75 H CB 0.730 30.510 29.762 0.030 0.000 1.461 75 H HN 0.714 nan 8.280 nan 0.000 0.488 76 R N 4.103 124.492 120.500 -0.186 0.000 2.474 76 R HA 0.235 4.574 4.340 -0.003 0.000 0.295 76 R C -0.484 175.613 176.300 -0.338 0.000 0.980 76 R CA -0.681 55.283 56.100 -0.226 0.000 0.934 76 R CB 1.680 31.941 30.300 -0.064 0.000 1.101 76 R HN 0.686 nan 8.270 nan 0.000 0.469 77 E N 2.986 123.027 120.200 -0.265 0.000 2.241 77 E HA 0.299 4.648 4.350 -0.003 0.000 0.263 77 E C -1.170 175.390 176.600 -0.067 0.000 0.882 77 E CA -0.498 55.802 56.400 -0.167 0.000 0.769 77 E CB 1.451 31.041 29.700 -0.185 0.000 1.185 77 E HN 0.433 nan 8.360 nan 0.000 0.415 78 I N 5.939 126.497 120.570 -0.021 0.000 2.354 78 I HA 0.319 4.487 4.170 -0.003 0.000 0.286 78 I C -0.750 175.369 176.117 0.002 0.000 1.007 78 I CA -0.447 60.854 61.300 0.002 0.000 1.167 78 I CB 0.868 38.885 38.000 0.028 0.000 1.320 78 I HN 0.326 nan 8.210 nan 0.000 0.458 79 L N 6.257 127.473 121.223 -0.012 0.000 2.362 79 L HA 0.517 4.855 4.340 -0.003 0.000 0.275 79 L C -0.732 176.135 176.870 -0.005 0.000 0.998 79 L CA -0.617 54.211 54.840 -0.021 0.000 0.820 79 L CB 2.213 44.236 42.059 -0.060 0.000 1.270 79 L HN 0.571 nan 8.230 nan 0.000 0.415 80 C N 1.898 121.203 119.300 0.008 0.000 2.303 80 C HA 0.249 4.708 4.460 -0.003 0.000 0.326 80 C C 1.495 176.519 174.990 0.056 0.000 1.285 80 C CA -0.515 58.527 59.018 0.041 0.000 1.675 80 C CB 0.337 28.105 27.740 0.047 0.000 2.289 80 C HN 0.907 nan 8.230 nan 0.000 0.512 81 Y N 3.776 124.062 120.300 -0.023 0.000 2.193 81 Y HA -0.183 4.366 4.550 -0.003 0.000 0.285 81 Y C 2.519 178.429 175.900 0.017 0.000 1.166 81 Y CA 2.465 60.560 58.100 -0.009 0.000 1.181 81 Y CB 0.076 38.527 38.460 -0.014 0.000 0.976 81 Y HN 0.831 nan 8.280 nan 0.000 0.520 82 S N -0.031 115.817 115.700 0.246 0.000 2.369 82 S HA -0.276 4.192 4.470 -0.003 0.000 0.225 82 S C 1.812 176.454 174.600 0.070 0.000 1.043 82 S CA 2.252 60.549 58.200 0.162 0.000 1.074 82 S CB -0.272 62.987 63.200 0.099 0.000 0.962 82 S HN 0.618 nan 8.310 nan 0.000 0.433 83 K N -0.528 119.891 120.400 0.032 0.000 2.391 83 K HA 0.199 4.518 4.320 -0.003 0.000 0.197 83 K C -0.439 176.150 176.600 -0.018 0.000 1.087 83 K CA 0.223 56.515 56.287 0.008 0.000 1.012 83 K CB 0.540 33.049 32.500 0.016 0.000 0.925 83 K HN 0.290 nan 8.250 nan 0.000 0.547 84 D N 1.026 121.402 120.400 -0.040 0.000 3.068 84 D HA 0.178 4.816 4.640 -0.003 0.000 0.327 84 D C 0.673 176.912 176.300 -0.101 0.000 1.361 84 D CA -0.036 53.930 54.000 -0.055 0.000 0.877 84 D CB 1.052 41.825 40.800 -0.045 0.000 1.088 84 D HN 0.051 nan 8.370 nan 0.000 0.489 85 A N 1.213 123.971 122.820 -0.103 0.000 1.858 85 A HA -0.220 4.098 4.320 -0.003 0.000 0.216 85 A C 2.145 179.729 177.584 -0.001 0.000 1.190 85 A CA 1.083 53.069 52.037 -0.085 0.000 0.617 85 A CB -0.061 18.876 19.000 -0.104 0.000 0.827 85 A HN 0.082 nan 8.150 nan 0.000 0.443 86 K N -0.180 120.208 120.400 -0.020 0.000 2.077 86 K HA -0.237 4.082 4.320 -0.003 0.000 0.213 86 K C 1.705 178.295 176.600 -0.017 0.000 1.051 86 K CA 2.124 58.410 56.287 -0.001 0.000 0.929 86 K CB -0.416 32.083 32.500 -0.001 0.000 0.715 86 K HN 0.602 nan 8.250 nan 0.000 0.451 87 E N 0.060 120.224 120.200 -0.061 0.000 2.299 87 E HA 0.064 4.413 4.350 -0.003 0.000 0.193 87 E C 1.977 178.396 176.600 -0.301 0.000 0.998 87 E CA 0.352 56.690 56.400 -0.104 0.000 0.851 87 E CB 0.055 29.719 29.700 -0.060 0.000 0.795 87 E HN 0.291 nan 8.360 nan 0.000 0.492 88 I N -0.826 119.558 120.570 -0.311 0.000 2.494 88 I HA -0.137 4.031 4.170 -0.003 0.000 0.250 88 I C 1.074 176.802 176.117 -0.650 0.000 1.112 88 I CA 0.794 61.798 61.300 -0.493 0.000 1.438 88 I CB 0.075 37.805 38.000 -0.449 0.000 1.111 88 I HN 0.107 nan 8.210 nan 0.000 0.431 89 Y N -0.484 119.614 120.300 -0.337 0.000 2.490 89 Y HA 0.037 4.585 4.550 -0.003 0.000 0.281 89 Y C -0.225 175.633 175.900 -0.070 0.000 1.174 89 Y CA -0.399 57.584 58.100 -0.194 0.000 1.295 89 Y CB -0.235 38.152 38.460 -0.121 0.000 1.062 89 Y HN 0.046 nan 8.280 nan 0.000 0.522 90 Y N 0.118 120.467 120.300 0.081 0.000 3.125 90 Y HA -0.236 4.313 4.550 -0.003 0.000 0.200 90 Y C 0.141 176.072 175.900 0.052 0.000 1.373 90 Y CA 0.355 58.484 58.100 0.049 0.000 1.180 90 Y CB -2.474 36.005 38.460 0.031 0.000 1.381 90 Y HN 0.177 nan 8.280 nan 0.000 0.501 91 T N -0.821 113.828 114.554 0.157 0.000 3.089 91 T HA 0.700 5.048 4.350 -0.003 0.000 0.340 91 T C -2.558 172.177 174.700 0.059 0.000 1.008 91 T CA -1.534 60.623 62.100 0.095 0.000 1.096 91 T CB 3.157 72.061 68.868 0.061 0.000 1.024 91 T HN -0.024 nan 8.240 nan 0.000 0.477 92 P HA 0.709 nan 4.420 nan 0.000 0.314 92 P C -0.956 176.358 177.300 0.024 0.000 1.306 92 P CA -0.592 62.533 63.100 0.041 0.000 0.782 92 P CB 0.904 32.635 31.700 0.051 0.000 1.337 93 D N -0.892 119.519 120.400 0.019 0.000 2.277 93 D HA 0.425 5.063 4.640 -0.003 0.000 0.250 93 D C -1.585 174.723 176.300 0.013 0.000 1.032 93 D CA -0.643 53.364 54.000 0.012 0.000 0.947 93 D CB -1.442 39.363 40.800 0.008 0.000 1.159 93 D HN 0.265 nan 8.370 nan 0.000 0.460 141 A N 2.822 125.657 122.820 0.025 0.000 2.526 141 A HA 0.237 4.555 4.320 -0.003 0.000 0.267 141 A C -0.008 177.598 177.584 0.038 0.000 1.095 141 A CA 0.288 52.340 52.037 0.025 0.000 0.775 141 A CB -0.471 18.540 19.000 0.018 0.000 1.036 141 A HN 0.617 nan 8.150 nan 0.000 0.510 142 D N 2.691 123.110 120.400 0.033 0.000 2.363 142 D HA 0.156 4.794 4.640 -0.003 0.000 0.263 142 D C -0.098 176.228 176.300 0.043 0.000 1.258 142 D CA 0.460 54.484 54.000 0.039 0.000 0.907 142 D CB 0.436 41.253 40.800 0.027 0.000 1.107 142 D HN 0.451 nan 8.370 nan 0.000 0.495 143 E N 4.223 124.463 120.200 0.066 0.000 2.204 143 E HA 0.407 4.755 4.350 -0.003 0.000 0.276 143 E C -2.102 174.539 176.600 0.069 0.000 0.974 143 E CA -2.229 54.211 56.400 0.067 0.000 0.815 143 E CB 0.977 30.732 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 -0.400 176.955 177.300 0.092 0.000 1.260 144 P CA -0.462 62.662 63.100 0.041 0.000 0.793 144 P CB 0.382 32.066 31.700 -0.026 0.000 1.048 145 V N -2.160 117.837 119.914 0.139 0.000 2.583 145 V HA 0.343 4.462 4.120 -0.003 0.000 0.287 145 V C 0.249 176.519 176.094 0.293 0.000 1.051 145 V CA -0.518 61.922 62.300 0.234 0.000 1.010 145 V CB 0.073 32.063 31.823 0.280 0.000 0.988 145 V HN 0.280 nan 8.190 nan 0.000 0.478 146 K N 2.792 123.357 120.400 0.275 0.000 2.118 146 K HA 0.599 4.917 4.320 -0.003 0.000 0.264 146 K C 1.252 178.132 176.600 0.467 0.000 1.000 146 K CA -0.019 56.438 56.287 0.282 0.000 0.929 146 K CB 1.724 34.325 32.500 0.169 0.000 1.021 146 K HN 0.847 nan 8.250 nan 0.000 0.463 147 A N 1.368 124.532 122.820 0.574 0.000 2.067 147 A HA -0.144 4.175 4.320 -0.003 0.000 0.219 147 A C 2.189 179.960 177.584 0.310 0.000 1.158 147 A CA 1.875 54.255 52.037 0.571 0.000 0.661 147 A CB -0.351 18.968 19.000 0.532 0.000 0.801 147 A HN 0.752 nan 8.150 nan 0.000 0.452 148 S N -0.570 115.278 115.700 0.246 0.000 2.355 148 S HA -0.089 4.379 4.470 -0.003 0.000 0.222 148 S C 1.914 176.649 174.600 0.225 0.000 1.031 148 S CA 1.295 59.618 58.200 0.204 0.000 0.993 148 S CB -0.347 62.943 63.200 0.150 0.000 0.859 148 S HN 0.458 nan 8.310 nan 0.000 0.453 149 L N 0.780 122.123 121.223 0.199 0.000 2.201 149 L HA 0.051 4.389 4.340 -0.003 0.000 0.212 149 L C 2.196 179.179 176.870 0.189 0.000 1.105 149 L CA 1.304 56.248 54.840 0.173 0.000 0.775 149 L CB -0.713 41.443 42.059 0.163 0.000 0.913 149 L HN 0.440 nan 8.230 nan 0.000 0.440 150 L N -0.715 120.632 121.223 0.206 0.000 2.168 150 L HA -0.084 4.254 4.340 -0.003 0.000 0.203 150 L C 2.138 179.124 176.870 0.193 0.000 1.078 150 L CA 1.193 56.122 54.840 0.147 0.000 0.780 150 L CB -0.467 41.635 42.059 0.071 0.000 0.939 150 L HN 0.186 nan 8.230 nan 0.000 0.451 151 L N -1.250 120.140 121.223 0.279 0.000 2.217 151 L HA -0.133 4.205 4.340 -0.003 0.000 0.211 151 L C 2.312 179.286 176.870 0.174 0.000 1.107 151 L CA 1.705 56.693 54.840 0.247 0.000 0.783 151 L CB -0.611 41.566 42.059 0.195 0.000 0.919 151 L HN 0.441 nan 8.230 nan 0.000 0.442 152 H N -2.046 117.093 119.070 0.115 0.000 2.317 152 H HA -0.041 4.513 4.556 -0.003 0.000 0.304 152 H C 2.145 177.522 175.328 0.081 0.000 1.067 152 H CA 1.743 57.845 56.048 0.090 0.000 1.352 152 H CB 0.161 29.971 29.762 0.080 0.000 1.398 152 H HN 0.124 nan 8.280 nan 0.000 0.510 153 V N 0.720 120.780 119.914 0.242 0.000 2.469 153 V HA -0.256 3.863 4.120 -0.003 0.000 0.251 153 V C 2.347 178.513 176.094 0.120 0.000 1.064 153 V CA 1.669 64.056 62.300 0.144 0.000 1.066 153 V CB -0.476 31.395 31.823 0.078 0.000 0.667 153 V HN 0.404 nan 8.190 nan 0.000 0.461 154 L N -0.942 120.351 121.223 0.115 0.000 2.131 154 L HA -0.060 4.279 4.340 -0.003 0.000 0.206 154 L C 2.321 179.257 176.870 0.110 0.000 1.087 154 L CA 0.839 55.748 54.840 0.114 0.000 0.767 154 L CB -0.344 41.758 42.059 0.073 0.000 0.917 154 L HN 0.173 nan 8.230 nan 0.000 0.441 155 V N -0.343 119.617 119.914 0.076 0.000 2.788 155 V HA -0.070 4.048 4.120 -0.003 0.000 0.251 155 V C 2.490 178.606 176.094 0.036 0.000 1.068 155 V CA 1.352 63.673 62.300 0.034 0.000 1.090 155 V CB -0.182 31.632 31.823 -0.014 0.000 0.710 155 V HN 0.410 nan 8.190 nan 0.000 0.467 156 A N -1.524 121.336 122.820 0.066 0.000 2.067 156 A HA -0.163 4.155 4.320 -0.003 0.000 0.217 156 A C 2.107 179.782 177.584 0.152 0.000 1.156 156 A CA 1.330 53.426 52.037 0.098 0.000 0.683 156 A CB -0.688 18.403 19.000 0.153 0.000 0.808 156 A HN 0.693 nan 8.150 nan 0.000 0.455 157 H N -0.814 118.278 119.070 0.037 0.000 2.343 157 H HA 0.000 4.554 4.556 -0.004 0.000 0.303 157 H C 1.995 177.333 175.328 0.017 0.000 1.068 157 H CA 1.388 57.453 56.048 0.028 0.000 1.359 157 H CB 0.171 29.949 29.762 0.026 0.000 1.402 157 H HN 0.387 nan 8.280 nan 0.000 0.515 158 K N 0.616 121.021 120.400 0.009 0.000 2.362 158 K HA -0.028 4.290 4.320 -0.003 0.000 0.200 158 K C 1.673 178.255 176.600 -0.031 0.000 1.046 158 K CA 0.617 56.866 56.287 -0.063 0.000 0.952 158 K CB 0.094 32.577 32.500 -0.029 0.000 0.753 158 K HN 0.321 nan 8.250 nan 0.000 0.466 159 L N -0.637 120.590 121.223 0.008 0.000 2.556 159 L HA 0.186 4.524 4.340 -0.003 0.000 0.226 159 L C 0.192 177.076 176.870 0.023 0.000 1.089 159 L CA -0.091 54.756 54.840 0.012 0.000 0.864 159 L CB 0.089 42.158 42.059 0.017 0.000 1.067 159 L HN 0.044 nan 8.230 nan 0.000 0.477 160 K N 0.620 121.047 120.400 0.044 0.000 3.192 160 K HA -0.142 4.176 4.320 -0.003 0.000 0.278 160 K C -0.511 176.126 176.600 0.062 0.000 1.164 160 K CA 0.773 57.096 56.287 0.061 0.000 0.816 160 K CB -1.183 31.334 32.500 0.029 0.000 1.256 160 K HN 0.274 nan 8.250 nan 0.000 0.497 161 K N 0.826 121.266 120.400 0.068 0.000 2.427 161 K HA 0.244 4.563 4.320 -0.003 0.000 0.252 161 K C 0.227 176.875 176.600 0.081 0.000 0.931 161 K CA -0.484 55.841 56.287 0.063 0.000 0.793 161 K CB 1.963 34.492 32.500 0.048 0.000 1.211 161 K HN 0.193 nan 8.250 nan 0.000 0.426 162 S N 1.297 117.043 115.700 0.076 0.000 2.549 162 S HA -0.086 4.382 4.470 -0.003 0.000 0.278 162 S C 1.189 175.860 174.600 0.117 0.000 1.344 162 S CA -0.215 58.036 58.200 0.085 0.000 1.025 162 S CB 0.082 63.322 63.200 0.066 0.000 0.851 162 S HN 0.589 nan 8.310 nan 0.000 0.530 163 L N -1.335 119.973 121.223 0.140 0.000 2.675 163 L HA 0.331 4.670 4.340 -0.003 0.000 0.238 163 L C 0.910 177.898 176.870 0.197 0.000 1.155 163 L CA 0.907 55.896 54.840 0.248 0.000 0.881 163 L CB -0.726 41.481 42.059 0.248 0.000 1.008 163 L HN 0.468 nan 8.230 nan 0.000 0.443 164 D N -0.453 120.013 120.400 0.110 0.000 2.216 164 D HA -0.027 4.611 4.640 -0.003 0.000 0.208 164 D C 2.186 178.542 176.300 0.093 0.000 0.960 164 D CA 1.021 55.070 54.000 0.083 0.000 0.861 164 D CB 0.141 40.969 40.800 0.047 0.000 0.985 164 D HN 0.352 nan 8.370 nan 0.000 0.493 165 S N 0.006 115.758 115.700 0.087 0.000 2.442 165 S HA -0.006 4.462 4.470 -0.003 0.000 0.236 165 S C 0.991 175.635 174.600 0.073 0.000 1.007 165 S CA 0.459 58.700 58.200 0.069 0.000 0.965 165 S CB 0.031 63.266 63.200 0.058 0.000 0.773 165 S HN 0.205 nan 8.310 nan 0.000 0.504 166 I N 2.756 123.393 120.570 0.112 0.000 2.328 166 I HA 0.293 4.461 4.170 -0.003 0.000 0.287 166 I C -2.739 173.454 176.117 0.127 0.000 1.012 166 I CA -2.463 58.880 61.300 0.073 0.000 1.195 166 I CB 1.604 39.589 38.000 -0.024 0.000 1.350 166 I HN -0.115 nan 8.210 nan 0.000 0.464 167 P HA 0.306 nan 4.420 nan 0.000 0.287 167 P C 0.404 177.738 177.300 0.057 0.000 1.281 167 P CA -0.525 62.631 63.100 0.093 0.000 0.781 167 P CB 0.957 32.689 31.700 0.055 0.000 0.903 168 M N 0.772 120.440 119.600 0.113 0.000 2.700 168 M HA -0.092 4.387 4.480 -0.003 0.000 0.249 168 M C 1.251 177.572 176.300 0.036 0.000 1.082 168 M CA 1.052 56.386 55.300 0.057 0.000 1.077 168 M CB -0.562 32.119 32.600 0.135 0.000 1.477 168 M HN 0.324 nan 8.290 nan 0.000 0.529 169 S N 0.399 116.123 115.700 0.039 0.000 2.368 169 S HA -0.055 4.414 4.470 -0.003 0.000 0.224 169 S C 1.111 175.718 174.600 0.011 0.000 1.029 169 S CA 0.978 59.192 58.200 0.024 0.000 0.988 169 S CB -0.062 63.154 63.200 0.026 0.000 0.838 169 S HN 0.442 nan 8.310 nan 0.000 0.462 170 K N 0.667 121.071 120.400 0.008 0.000 2.181 170 K HA 0.200 4.519 4.320 -0.003 0.000 0.239 170 K C 0.505 177.101 176.600 -0.007 0.000 1.073 170 K CA 0.259 56.546 56.287 -0.000 0.000 0.839 170 K CB 0.153 32.653 32.500 -0.001 0.000 1.116 170 K HN 0.205 nan 8.250 nan 0.000 0.518 171 T N -1.239 113.310 114.554 -0.008 0.000 2.930 171 T HA 0.320 4.668 4.350 -0.003 0.000 0.290 171 T C 1.252 175.947 174.700 -0.009 0.000 1.052 171 T CA -0.773 61.321 62.100 -0.010 0.000 1.017 171 T CB 0.680 69.543 68.868 -0.009 0.000 1.137 171 T HN 0.458 nan 8.240 nan 0.000 0.511 172 I N 1.471 122.037 120.570 -0.007 0.000 2.614 172 I HA -0.042 4.127 4.170 -0.003 0.000 0.258 172 I C 2.568 178.684 176.117 -0.001 0.000 1.189 172 I CA 1.017 62.316 61.300 -0.002 0.000 1.462 172 I CB -0.128 37.877 38.000 0.008 0.000 1.092 172 I HN 0.693 nan 8.210 nan 0.000 0.442 173 K N 0.595 120.994 120.400 -0.001 0.000 2.103 173 K HA -0.170 4.149 4.320 -0.003 0.000 0.204 173 K C 1.482 178.082 176.600 -0.001 0.000 1.052 173 K CA 1.387 57.674 56.287 -0.001 0.000 0.945 173 K CB 0.097 32.597 32.500 -0.001 0.000 0.722 173 K HN 0.164 nan 8.250 nan 0.000 0.443 174 D N 0.421 120.820 120.400 -0.002 0.000 2.194 174 D HA -0.044 4.595 4.640 -0.003 0.000 0.204 174 D C 1.653 177.953 176.300 -0.000 0.000 0.964 174 D CA 0.680 54.680 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 0.115 nan 8.370 nan 0.000 0.490 175 L N -0.183 121.039 121.223 -0.003 0.000 2.291 175 L HA -0.060 4.279 4.340 -0.003 0.000 0.214 175 L C 2.141 179.011 176.870 -0.001 0.000 1.120 175 L CA 0.341 55.179 54.840 -0.004 0.000 0.799 175 L CB -0.003 42.049 42.059 -0.012 0.000 0.925 175 L HN -0.026 nan 8.230 nan 0.000 0.446 176 V N -0.695 119.219 119.914 -0.000 0.000 2.426 176 V HA 0.084 4.202 4.120 -0.003 0.000 0.242 176 V C 1.896 177.990 176.094 0.001 0.000 1.036 176 V CA 1.652 63.952 62.300 0.000 0.000 1.044 176 V CB 0.112 31.936 31.823 0.000 0.000 0.688 176 V HN 0.656 nan 8.190 nan 0.000 0.462 177 G N -1.079 107.722 108.800 0.001 0.000 2.490 177 G HA2 -0.148 3.810 3.960 -0.003 0.000 0.214 177 G HA3 -0.148 3.810 3.960 -0.003 0.000 0.214 177 G C 0.941 175.842 174.900 0.001 0.000 1.151 177 G CA 0.375 45.476 45.100 0.002 0.000 0.684 177 G HN 1.319 nan 8.290 nan 0.000 0.518 178 G N -0.029 108.772 108.800 0.001 0.000 4.187 178 G HA2 0.247 4.205 3.960 -0.003 0.000 0.174 178 G HA3 0.247 4.205 3.960 -0.003 0.000 0.174 178 G C 0.480 175.380 174.900 -0.000 0.000 0.947 178 G CA 0.818 45.919 45.100 0.000 0.000 0.940 178 G HN 0.689 nan 8.290 nan 0.000 0.410 182 V N 2.509 122.420 119.914 -0.005 0.000 3.041 182 V HA 0.029 4.147 4.120 -0.003 0.000 0.260 182 V C 2.365 178.459 176.094 -0.001 0.000 1.105 182 V CA 1.752 64.048 62.300 -0.006 0.000 1.125 182 V CB -0.383 31.435 31.823 -0.008 0.000 0.730 182 V HN 0.447 nan 8.190 nan 0.000 0.479 183 Q N 0.536 120.337 119.800 0.002 0.000 2.137 183 Q HA -0.148 4.191 4.340 -0.003 0.000 0.198 183 Q C 1.977 177.983 176.000 0.011 0.000 0.960 183 Q CA 1.141 56.948 55.803 0.007 0.000 0.847 183 Q CB 0.004 28.746 28.738 0.006 0.000 0.915 183 Q HN 0.569 nan 8.270 nan 0.000 0.448 184 N N 0.880 119.584 118.700 0.007 0.000 2.309 184 N HA -0.125 4.614 4.740 -0.003 0.000 0.182 184 N C 1.219 176.734 175.510 0.008 0.000 1.018 184 N CA 1.113 54.168 53.050 0.008 0.000 0.876 184 N CB 0.086 38.576 38.487 0.004 0.000 0.972 184 N HN 0.399 nan 8.380 nan 0.000 0.434 185 E N 0.249 120.451 120.200 0.003 0.000 2.060 185 E HA 0.057 4.406 4.350 -0.003 0.000 0.189 185 E C 1.953 178.557 176.600 0.006 0.000 0.974 185 E CA 0.438 56.837 56.400 -0.001 0.000 0.808 185 E CB 0.032 29.725 29.700 -0.013 0.000 0.768 185 E HN 0.287 nan 8.360 nan 0.000 0.453 186 I N 1.410 121.987 120.570 0.012 0.000 2.361 186 I HA -0.272 3.897 4.170 -0.003 0.000 0.251 186 I C 2.313 178.458 176.117 0.046 0.000 1.133 186 I CA 0.924 62.241 61.300 0.027 0.000 1.413 186 I CB -0.245 37.772 38.000 0.027 0.000 1.073 186 I HN 0.125 nan 8.210 nan 0.000 0.424 187 L N 0.386 121.635 121.223 0.042 0.000 2.027 187 L HA -0.104 4.234 4.340 -0.003 0.000 0.206 187 L C 2.660 179.565 176.870 0.057 0.000 1.074 187 L CA 1.809 56.684 54.840 0.057 0.000 0.745 187 L CB -1.177 40.908 42.059 0.043 0.000 0.898 187 L HN 0.329 nan 8.230 nan 0.000 0.433 188 G N -0.988 107.833 108.800 0.035 0.000 2.448 188 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.218 188 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.218 188 G C 1.082 175.991 174.900 0.015 0.000 1.135 188 G CA 0.394 45.509 45.100 0.025 0.000 0.784 188 G HN 0.267 nan 8.290 nan 0.000 0.543 189 D N 0.602 121.009 120.400 0.012 0.000 2.117 189 D HA -0.023 4.616 4.640 -0.003 0.000 0.198 189 D C 2.583 178.873 176.300 -0.016 0.000 0.982 189 D CA 0.403 54.399 54.000 -0.007 0.000 0.828 189 D CB -0.158 40.641 40.800 -0.003 0.000 0.967 189 D HN 0.275 nan 8.370 nan 0.000 0.464 190 L N -0.025 121.219 121.223 0.036 0.000 2.275 190 L HA 0.029 4.367 4.340 -0.003 0.000 0.215 190 L C 2.371 179.272 176.870 0.052 0.000 1.119 190 L CA 0.861 55.743 54.840 0.071 0.000 0.790 190 L CB -0.466 41.705 42.059 0.187 0.000 0.919 190 L HN 0.064 nan 8.230 nan 0.000 0.443 191 G N -0.036 108.795 108.800 0.051 0.000 2.394 191 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.214 191 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.214 191 G C 1.660 176.555 174.900 -0.009 0.000 1.176 191 G CA 0.181 45.311 45.100 0.050 0.000 0.786 191 G HN 0.215 nan 8.290 nan 0.000 0.533 192 K N -0.055 120.319 120.400 -0.042 0.000 2.360 192 K HA -0.052 4.266 4.320 -0.003 0.000 0.201 192 K C 2.239 178.747 176.600 -0.153 0.000 1.046 192 K CA 1.138 57.380 56.287 -0.074 0.000 0.945 192 K CB 0.117 32.578 32.500 -0.066 0.000 0.750 192 K HN 0.326 nan 8.250 nan 0.000 0.464 193 E N -0.368 119.686 120.200 -0.243 0.000 2.065 193 E HA -0.009 4.340 4.350 -0.003 0.000 0.191 193 E C 1.133 177.320 176.600 -0.689 0.000 0.960 193 E CA 1.116 57.201 56.400 -0.525 0.000 0.824 193 E CB 0.058 29.330 29.700 -0.713 0.000 0.793 193 E HN 0.139 nan 8.360 nan 0.000 0.459 194 F N -1.252 118.473 119.950 -0.374 0.000 2.622 194 F HA 0.390 4.917 4.527 -0.001 0.000 0.288 194 F C 1.837 177.569 175.800 -0.114 0.000 1.120 194 F CA 0.576 58.346 58.000 -0.384 0.000 1.423 194 F CB 0.701 39.140 39.000 -0.935 0.000 1.127 194 F HN 0.300 nan 8.300 nan 0.000 0.588 195 G N -0.279 108.574 108.800 0.089 0.000 2.454 195 G HA2 -0.274 3.685 3.960 -0.003 0.000 0.225 195 G HA3 -0.274 3.685 3.960 -0.003 0.000 0.225 195 G C 0.550 175.550 174.900 0.167 0.000 1.138 195 G CA 0.274 45.437 45.100 0.105 0.000 0.667 195 G HN 0.208 nan 8.290 nan 0.000 0.512 196 T N 3.127 117.841 114.554 0.266 0.000 2.747 196 T HA 0.526 4.874 4.350 -0.003 0.000 0.301 196 T C 0.139 175.032 174.700 0.323 0.000 0.952 196 T CA 0.480 62.736 62.100 0.260 0.000 0.983 196 T CB 1.188 70.206 68.868 0.250 0.000 0.930 196 T HN 0.304 nan 8.240 nan 0.000 0.494 197 T N 7.505 122.177 114.554 0.196 0.000 2.727 197 T HA 0.260 4.609 4.350 -0.003 0.000 0.295 197 T C -1.471 173.258 174.700 0.049 0.000 0.915 197 T CA -1.073 61.120 62.100 0.155 0.000 1.066 197 T CB 0.303 69.237 68.868 0.110 0.000 0.891 197 T HN 0.437 nan 8.240 nan 0.000 0.516 198 P HA 0.151 nan 4.420 nan 0.000 0.271 198 P C 0.621 177.892 177.300 -0.048 0.000 1.238 198 P CA -0.259 62.779 63.100 -0.103 0.000 0.794 198 P CB 1.172 32.733 31.700 -0.232 0.000 0.959 199 E N -0.236 119.936 120.200 -0.047 0.000 2.299 199 E HA -0.051 4.298 4.350 -0.003 0.000 0.193 199 E C 0.125 176.711 176.600 -0.022 0.000 0.998 199 E CA 0.845 57.230 56.400 -0.025 0.000 0.851 199 E CB 0.075 29.762 29.700 -0.022 0.000 0.795 199 E HN 0.441 nan 8.360 nan 0.000 0.492 200 K N 0.602 120.981 120.400 -0.035 0.000 2.679 200 K HA 0.185 4.503 4.320 -0.003 0.000 0.188 200 K C -2.380 174.201 176.600 -0.032 0.000 1.055 200 K CA -1.356 54.915 56.287 -0.027 0.000 1.006 200 K CB 1.679 34.162 32.500 -0.027 0.000 1.317 200 K HN -0.131 nan 8.250 nan 0.000 0.584 201 P HA -0.181 nan 4.420 nan 0.000 0.217 201 P C 0.333 177.632 177.300 -0.001 0.000 1.150 201 P CA 1.225 64.321 63.100 -0.006 0.000 0.832 201 P CB 0.305 32.025 31.700 0.034 0.000 0.787 202 E N -0.530 119.671 120.200 0.002 0.000 2.418 202 E HA -0.095 4.254 4.350 -0.003 0.000 0.197 202 E C 1.466 178.063 176.600 -0.005 0.000 1.026 202 E CA 0.873 57.275 56.400 0.002 0.000 0.862 202 E CB -0.366 29.337 29.700 0.004 0.000 0.799 202 E HN 0.442 nan 8.360 nan 0.000 0.518 203 E N -0.055 120.137 120.200 -0.013 0.000 2.357 203 E HA 0.094 4.442 4.350 -0.003 0.000 0.202 203 E C 0.022 176.608 176.600 -0.023 0.000 0.855 203 E CA 0.131 56.522 56.400 -0.015 0.000 1.048 203 E CB 0.422 30.114 29.700 -0.014 0.000 1.037 203 E HN -0.060 nan 8.360 nan 0.000 0.499 204 T N 5.099 119.632 114.554 -0.035 0.000 2.778 204 T HA 0.038 4.386 4.350 -0.003 0.000 0.282 204 T C -2.406 172.267 174.700 -0.045 0.000 0.983 204 T CA -0.690 61.380 62.100 -0.049 0.000 1.193 204 T CB 0.201 69.021 68.868 -0.080 0.000 0.938 204 T HN -0.064 nan 8.240 nan 0.000 0.523 205 P HA 0.149 nan 4.420 nan 0.000 0.271 205 P C 1.028 178.312 177.300 -0.026 0.000 1.233 205 P CA -0.402 62.684 63.100 -0.024 0.000 0.789 205 P CB 0.574 32.265 31.700 -0.016 0.000 0.951 206 L N 0.626 121.841 121.223 -0.014 0.000 2.093 206 L HA -0.173 4.166 4.340 -0.003 0.000 0.208 206 L C 2.072 178.950 176.870 0.013 0.000 1.085 206 L CA 1.752 56.589 54.840 -0.005 0.000 0.755 206 L CB -0.642 41.406 42.059 -0.018 0.000 0.904 206 L HN 0.462 nan 8.230 nan 0.000 0.435 207 E N 0.022 120.233 120.200 0.020 0.000 2.150 207 E HA -0.203 4.146 4.350 -0.003 0.000 0.193 207 E C 1.877 178.476 176.600 -0.002 0.000 0.985 207 E CA 0.998 57.415 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 0.204 120.388 120.200 -0.025 0.000 2.371 208 E HA -0.030 4.319 4.350 -0.003 0.000 0.194 208 E C 1.889 178.424 176.600 -0.109 0.000 1.012 208 E CA 0.223 56.590 56.400 -0.054 0.000 0.860 208 E CB 0.227 29.897 29.700 -0.050 0.000 0.811 208 E HN 0.248 nan 8.360 nan 0.000 0.502 209 L N 0.280 121.430 121.223 -0.122 0.000 2.202 209 L HA 0.059 4.397 4.340 -0.003 0.000 0.205 209 L C 2.394 179.120 176.870 -0.239 0.000 1.083 209 L CA 0.443 55.133 54.840 -0.250 0.000 0.790 209 L CB -0.076 41.873 42.059 -0.184 0.000 0.942 209 L HN 0.099 nan 8.230 nan 0.000 0.452 210 A N -0.420 122.368 122.820 -0.052 0.000 2.019 210 A HA -0.216 4.103 4.320 -0.003 0.000 0.219 210 A C 2.066 179.666 177.584 0.026 0.000 1.164 210 A CA 1.405 53.464 52.037 0.035 0.000 0.644 210 A CB -0.322 18.731 19.000 0.087 0.000 0.805 210 A HN 0.421 nan 8.150 nan 0.000 0.449 211 E N -0.722 119.463 120.200 -0.025 0.000 2.031 211 E HA -0.141 4.207 4.350 -0.003 0.000 0.193 211 E C 2.079 178.652 176.600 -0.045 0.000 0.994 211 E CA 1.774 58.161 56.400 -0.022 0.000 0.800 211 E CB -0.239 29.439 29.700 -0.038 0.000 0.752 211 E HN 0.621 nan 8.360 nan 0.000 0.447 212 T N 0.448 114.913 114.554 -0.148 0.000 2.788 212 T HA -0.126 4.223 4.350 -0.003 0.000 0.268 212 T C 1.540 176.159 174.700 -0.135 0.000 1.044 212 T CA 1.017 62.998 62.100 -0.198 0.000 1.139 212 T CB -0.312 68.340 68.868 -0.360 0.000 0.867 212 T HN 0.158 nan 8.240 nan 0.000 0.454 213 F N 0.814 120.695 119.950 -0.115 0.000 2.367 213 F HA 0.012 4.539 4.527 -0.002 0.000 0.298 213 F C 2.737 178.611 175.800 0.123 0.000 1.094 213 F CA 0.119 58.026 58.000 -0.156 0.000 1.409 213 F CB -0.034 38.532 39.000 -0.725 0.000 1.064 213 F HN 0.080 nan 8.300 nan 0.000 0.528 214 Q N 1.098 121.075 119.800 0.295 0.000 2.167 214 Q HA -0.171 4.167 4.340 -0.003 0.000 0.202 214 Q C 1.331 177.423 176.000 0.153 0.000 0.970 214 Q CA 1.844 57.809 55.803 0.270 0.000 0.855 214 Q CB -0.374 28.455 28.738 0.153 0.000 0.911 214 Q HN 0.232 nan 8.270 nan 0.000 0.438 215 D N -0.519 119.954 120.400 0.122 0.000 2.133 215 D HA -0.150 4.488 4.640 -0.003 0.000 0.195 215 D C 1.562 177.924 176.300 0.104 0.000 0.997 215 D CA 2.224 56.272 54.000 0.080 0.000 0.840 215 D CB -0.461 40.374 40.800 0.058 0.000 0.947 215 D HN 0.573 nan 8.370 nan 0.000 0.452 216 T N -2.552 112.111 114.554 0.182 0.000 3.040 216 T HA 0.136 4.484 4.350 -0.003 0.000 0.250 216 T C 0.466 175.323 174.700 0.263 0.000 1.058 216 T CA -0.529 61.688 62.100 0.196 0.000 0.988 216 T CB -0.252 68.741 68.868 0.207 0.000 0.993 216 T HN 0.122 nan 8.240 nan 0.000 0.519 217 F N 2.574 122.617 119.950 0.156 0.000 2.492 217 F HA 0.722 5.248 4.527 -0.002 0.000 0.327 217 F C -0.883 174.986 175.800 0.115 0.000 1.079 217 F CA -1.248 56.846 58.000 0.157 0.000 0.967 217 F CB 2.079 41.237 39.000 0.264 0.000 1.169 217 F HN 0.056 nan 8.300 nan 0.000 0.472 218 S N 2.635 118.164 115.700 -0.285 0.000 2.706 218 S HA 0.509 4.977 4.470 -0.003 0.000 0.270 218 S C 0.115 174.635 174.600 -0.134 0.000 1.163 218 S CA -0.355 57.600 58.200 -0.407 0.000 1.042 218 S CB 0.607 63.704 63.200 -0.173 0.000 1.079 218 S HN 2.225 nan 8.310 nan 0.000 0.474 219 G N 1.794 110.512 108.800 -0.137 0.000 2.186 219 G HA2 -0.119 3.840 3.960 -0.003 0.000 0.266 219 G HA3 -0.119 3.840 3.960 -0.003 0.000 0.266 219 G C 0.522 175.541 174.900 0.199 0.000 0.982 219 G CA 0.214 45.364 45.100 0.083 0.000 0.670 219 G HN 1.924 nan 8.290 nan 0.000 0.533 220 A N -0.127 122.903 122.820 0.350 0.000 2.396 220 A HA 0.696 5.015 4.320 -0.003 0.000 0.279 220 A C 1.346 179.008 177.584 0.130 0.000 1.165 220 A CA 0.042 52.214 52.037 0.225 0.000 0.824 220 A CB 0.343 19.477 19.000 0.224 0.000 1.100 220 A HN 0.627 nan 8.150 nan 0.000 0.516 221 L N 2.737 123.983 121.223 0.037 0.000 2.465 221 L HA 0.105 4.443 4.340 -0.003 0.000 0.224 221 L C 1.443 178.226 176.870 -0.145 0.000 1.145 221 L CA 1.052 55.869 54.840 -0.037 0.000 0.834 221 L CB -0.668 41.379 42.059 -0.020 0.000 0.944 221 L HN 1.152 nan 8.230 nan 0.000 0.451 222 G N -0.094 108.609 108.800 -0.163 0.000 2.755 222 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.686 222 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.686 222 G C 0.210 175.007 174.900 -0.170 0.000 1.427 222 G CA 0.069 45.020 45.100 -0.248 0.000 0.873 222 G HN 0.152 nan 8.290 nan 0.000 0.580 223 K N -0.148 120.154 120.400 -0.164 0.000 2.031 223 K HA -0.086 4.232 4.320 -0.003 0.000 0.205 223 K C 2.588 179.127 176.600 -0.102 0.000 1.049 223 K CA 1.877 58.099 56.287 -0.108 0.000 0.939 223 K CB -0.110 32.335 32.500 -0.090 0.000 0.717 223 K HN 0.460 nan 8.250 nan 0.000 0.438 224 Q N 0.168 119.889 119.800 -0.132 0.000 2.230 224 Q HA -0.047 4.292 4.340 -0.003 0.000 0.202 224 Q C 1.831 177.780 176.000 -0.084 0.000 0.963 224 Q CA 1.549 57.292 55.803 -0.100 0.000 0.866 224 Q CB -0.081 28.591 28.738 -0.111 0.000 0.931 224 Q HN 0.164 nan 8.270 nan 0.000 0.452 225 S N -1.445 114.181 115.700 -0.124 0.000 2.425 225 S HA 0.036 4.505 4.470 -0.003 0.000 0.225 225 S C 1.797 176.360 174.600 -0.061 0.000 1.024 225 S CA 0.894 59.038 58.200 -0.093 0.000 0.951 225 S CB -0.198 62.917 63.200 -0.141 0.000 0.796 225 S HN 0.451 nan 8.310 nan 0.000 0.498 226 S N 0.617 116.276 115.700 -0.067 0.000 2.447 226 S HA -0.004 4.464 4.470 -0.003 0.000 0.233 226 S C 1.957 176.541 174.600 -0.026 0.000 1.006 226 S CA 1.016 59.190 58.200 -0.042 0.000 0.957 226 S CB -0.319 62.855 63.200 -0.044 0.000 0.773 226 S HN 0.568 nan 8.310 nan 0.000 0.507 227 S N 0.881 116.565 115.700 -0.026 0.000 2.395 227 S HA 0.181 4.650 4.470 -0.003 0.000 0.225 227 S C 1.651 176.255 174.600 0.006 0.000 1.027 227 S CA 0.420 58.613 58.200 -0.011 0.000 0.965 227 S CB -0.199 62.992 63.200 -0.015 0.000 0.812 227 S HN 0.424 nan 8.310 nan 0.000 0.482 228 L N 0.899 122.130 121.223 0.014 0.000 2.217 228 L HA 0.079 4.418 4.340 -0.003 0.000 0.211 228 L C 2.009 178.893 176.870 0.024 0.000 1.107 228 L CA 0.698 55.567 54.840 0.048 0.000 0.783 228 L CB -0.232 41.874 42.059 0.079 0.000 0.919 228 L HN 0.340 nan 8.230 nan 0.000 0.442 229 L N -1.883 119.342 121.223 0.003 0.000 2.209 229 L HA -0.034 4.304 4.340 -0.003 0.000 0.207 229 L C 2.407 179.286 176.870 0.014 0.000 1.094 229 L CA 0.514 55.355 54.840 0.002 0.000 0.790 229 L CB -0.183 41.872 42.059 -0.007 0.000 0.932 229 L HN 0.092 nan 8.230 nan 0.000 0.447 230 S N -0.569 115.137 115.700 0.011 0.000 2.470 230 S HA -0.051 4.418 4.470 -0.003 0.000 0.225 230 S C 1.984 176.594 174.600 0.016 0.000 1.006 230 S CA 0.531 58.740 58.200 0.014 0.000 0.934 230 S CB 0.004 63.209 63.200 0.007 0.000 0.778 230 S HN 0.310 nan 8.310 nan 0.000 0.517 231 R N 0.849 121.360 120.500 0.018 0.000 2.093 231 R HA 0.051 4.389 4.340 -0.003 0.000 0.224 231 R C 2.224 178.536 176.300 0.020 0.000 1.101 231 R CA 0.860 56.973 56.100 0.021 0.000 0.979 231 R CB -0.271 30.048 30.300 0.031 0.000 0.877 231 R HN 0.365 nan 8.270 nan 0.000 0.441 232 L N 0.634 121.871 121.223 0.023 0.000 2.156 232 L HA -0.043 4.295 4.340 -0.003 0.000 0.208 232 L C 1.831 178.705 176.870 0.008 0.000 1.095 232 L CA 1.476 56.323 54.840 0.012 0.000 0.770 232 L CB -0.202 41.864 42.059 0.012 0.000 0.914 232 L HN 0.170 nan 8.230 nan 0.000 0.439 233 I N -0.814 119.773 120.570 0.028 0.000 2.439 233 I HA -0.159 4.009 4.170 -0.003 0.000 0.251 233 I C 2.544 178.681 176.117 0.033 0.000 1.139 233 I CA 1.469 62.797 61.300 0.047 0.000 1.438 233 I CB -0.886 37.153 38.000 0.065 0.000 1.085 233 I HN 0.447 nan 8.210 nan 0.000 0.427 234 S N 0.612 116.323 115.700 0.019 0.000 2.377 234 S HA -0.088 4.380 4.470 -0.003 0.000 0.223 234 S C 2.085 176.684 174.600 -0.002 0.000 1.030 234 S CA 1.702 59.910 58.200 0.012 0.000 0.970 234 S CB 0.003 63.209 63.200 0.010 0.000 0.830 234 S HN 0.554 nan 8.310 nan 0.000 0.473 235 S N -0.711 114.981 115.700 -0.013 0.000 2.503 235 S HA 0.354 4.822 4.470 -0.003 0.000 0.215 235 S C 1.411 175.980 174.600 -0.052 0.000 1.003 235 S CA -0.155 58.029 58.200 -0.026 0.000 0.910 235 S CB -0.017 63.171 63.200 -0.020 0.000 0.790 235 S HN 0.301 nan 8.310 nan 0.000 0.514 236 K N -0.289 120.069 120.400 -0.071 0.000 2.391 236 K HA 0.490 4.809 4.320 -0.003 0.000 0.197 236 K C -0.105 176.392 176.600 -0.172 0.000 1.087 236 K CA 0.064 56.270 56.287 -0.136 0.000 1.012 236 K CB 0.276 32.671 32.500 -0.175 0.000 0.925 236 K HN 0.243 nan 8.250 nan 0.000 0.547 237 M N 1.287 120.824 119.600 -0.105 0.000 2.318 237 M HA 0.304 4.782 4.480 -0.003 0.000 0.347 237 M C -2.456 173.805 176.300 -0.064 0.000 1.175 237 M CA -2.799 52.435 55.300 -0.111 0.000 1.075 237 M CB 0.986 33.602 32.600 0.027 0.000 1.614 237 M HN -0.207 nan 8.290 nan 0.000 0.456 238 P HA 0.161 nan 4.420 nan 0.000 0.271 238 P C -0.354 176.969 177.300 0.038 0.000 1.233 238 P CA -0.273 62.798 63.100 -0.048 0.000 0.789 238 P CB 0.231 31.882 31.700 -0.082 0.000 0.951 239 G N 0.582 109.397 108.800 0.025 0.000 2.150 239 G HA2 0.248 4.207 3.960 -0.003 0.000 0.250 239 G HA3 0.248 4.207 3.960 -0.003 0.000 0.250 239 G C 1.126 176.067 174.900 0.068 0.000 1.179 239 G CA 0.441 45.563 45.100 0.038 0.000 0.934 239 G HN 0.890 nan 8.290 nan 0.000 0.453 240 G N 2.131 110.970 108.800 0.065 0.000 2.241 240 G HA2 -0.276 3.683 3.960 -0.003 0.000 0.244 240 G HA3 -0.276 3.683 3.960 -0.003 0.000 0.244 240 G C 0.484 175.423 174.900 0.065 0.000 0.998 240 G CA 0.262 45.394 45.100 0.053 0.000 0.621 240 G HN 0.932 nan 8.290 nan 0.000 0.519 241 F N 4.338 124.274 119.950 -0.023 0.000 2.556 241 F HA 0.458 4.982 4.527 -0.006 0.000 0.344 241 F C 1.328 177.118 175.800 -0.017 0.000 1.255 241 F CA 0.771 58.756 58.000 -0.025 0.000 1.091 241 F CB 0.196 39.171 39.000 -0.042 0.000 1.325 241 F HN 0.120 nan 8.300 nan 0.000 0.627 242 T N 5.293 119.806 114.554 -0.068 0.000 2.770 242 T HA 0.117 4.466 4.350 -0.003 0.000 0.281 242 T C 1.739 176.442 174.700 0.006 0.000 0.981 242 T CA -0.620 61.469 62.100 -0.017 0.000 0.955 242 T CB 1.208 70.043 68.868 -0.055 0.000 1.060 242 T HN 0.619 nan 8.240 nan 0.000 0.531 243 I N -0.008 120.575 120.570 0.021 0.000 2.830 243 I HA -0.144 4.025 4.170 -0.003 0.000 0.263 243 I C 2.169 178.280 176.117 -0.011 0.000 1.230 243 I CA 1.070 62.386 61.300 0.027 0.000 1.480 243 I CB -0.086 37.928 38.000 0.023 0.000 1.095 243 I HN 0.659 nan 8.210 nan 0.000 0.455 244 T N 0.059 114.589 114.554 -0.040 0.000 2.698 244 T HA -0.129 4.219 4.350 -0.003 0.000 0.260 244 T C 1.862 176.501 174.700 -0.101 0.000 1.044 244 T CA 1.556 63.622 62.100 -0.056 0.000 1.149 244 T CB -0.122 68.713 68.868 -0.054 0.000 0.864 244 T HN 0.136 nan 8.240 nan 0.000 0.419 245 V N 1.613 121.409 119.914 -0.198 0.000 2.407 245 V HA -0.129 3.990 4.120 -0.003 0.000 0.248 245 V C 2.718 178.595 176.094 -0.361 0.000 1.055 245 V CA 1.660 63.751 62.300 -0.349 0.000 1.049 245 V CB -0.928 30.530 31.823 -0.608 0.000 0.662 245 V HN 0.525 nan 8.190 nan 0.000 0.455 246 A N -0.518 122.150 122.820 -0.253 0.000 2.067 246 A HA -0.137 4.181 4.320 -0.003 0.000 0.219 246 A C 2.331 179.981 177.584 0.110 0.000 1.158 246 A CA 1.219 53.303 52.037 0.078 0.000 0.661 246 A CB -0.328 18.852 19.000 0.301 0.000 0.801 246 A HN 0.540 nan 8.150 nan 0.000 0.452 247 R N -0.713 119.807 120.500 0.032 0.000 2.112 247 R HA 0.078 4.416 4.340 -0.003 0.000 0.216 247 R C 1.799 178.118 176.300 0.031 0.000 1.080 247 R CA 0.961 57.079 56.100 0.029 0.000 0.996 247 R CB -0.163 30.139 30.300 0.003 0.000 0.902 247 R HN 0.365 nan 8.270 nan 0.000 0.449 248 K N -0.123 120.286 120.400 0.015 0.000 2.362 248 K HA -0.144 4.174 4.320 -0.003 0.000 0.200 248 K C 1.535 178.171 176.600 0.060 0.000 1.046 248 K CA 0.963 57.259 56.287 0.016 0.000 0.952 248 K CB 0.051 32.544 32.500 -0.011 0.000 0.753 248 K HN 0.158 nan 8.250 nan 0.000 0.466 249 Y N 0.617 120.905 120.300 -0.020 0.000 2.262 249 Y HA -0.009 4.541 4.550 -0.001 0.000 0.295 249 Y C 1.566 177.497 175.900 0.052 0.000 1.121 249 Y CA 0.894 59.012 58.100 0.031 0.000 1.144 249 Y CB 0.041 38.544 38.460 0.073 0.000 1.043 249 Y HN -0.121 nan 8.280 nan 0.000 0.528 250 L N 0.442 121.724 121.223 0.099 0.000 2.261 250 L HA -0.237 4.101 4.340 -0.003 0.000 0.216 250 L C 2.356 179.234 176.870 0.013 0.000 1.114 250 L CA 1.787 56.635 54.840 0.015 0.000 0.777 250 L CB -0.328 41.747 42.059 0.027 0.000 0.910 250 L HN 0.424 nan 8.230 nan 0.000 0.440 251 Q N -1.294 118.505 119.800 -0.003 0.000 2.304 251 Q HA -0.083 4.255 4.340 -0.003 0.000 0.204 251 Q C 2.054 178.046 176.000 -0.014 0.000 0.936 251 Q CA 0.967 56.773 55.803 0.005 0.000 0.878 251 Q CB 0.392 29.132 28.738 0.004 0.000 0.983 251 Q HN 0.273 nan 8.270 nan 0.000 0.516 252 T N 0.644 115.172 114.554 -0.044 0.000 2.643 252 T HA -0.166 4.182 4.350 -0.003 0.000 0.264 252 T C 1.705 176.362 174.700 -0.072 0.000 1.045 252 T CA 1.839 63.907 62.100 -0.052 0.000 1.155 252 T CB -0.125 68.717 68.868 -0.044 0.000 0.863 252 T HN 0.203 nan 8.240 nan 0.000 0.420 253 R N -1.092 119.310 120.500 -0.164 0.000 2.254 253 R HA 0.081 4.419 4.340 -0.003 0.000 0.195 253 R C 0.640 177.035 176.300 0.159 0.000 0.957 253 R CA 0.718 56.765 56.100 -0.088 0.000 1.024 253 R CB -0.108 29.998 30.300 -0.323 0.000 0.952 253 R HN 0.385 nan 8.270 nan 0.000 0.484 254 W N -0.224 120.938 121.300 -0.230 0.000 2.304 254 W HA 0.488 5.148 4.660 -0.000 0.000 0.326 254 W C 0.221 176.697 176.519 -0.072 0.000 0.920 254 W CA -0.370 56.902 57.345 -0.122 0.000 1.518 254 W CB 0.503 29.904 29.460 -0.099 0.000 1.112 254 W HN 0.213 nan 8.180 nan 0.000 0.528 255 G N 2.396 111.241 108.800 0.075 0.000 2.372 255 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.290 255 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.290 255 G C -0.582 174.354 174.900 0.059 0.000 0.965 255 G CA 0.101 45.223 45.100 0.036 0.000 1.263 255 G HN 0.213 nan 8.290 nan 0.000 0.498 256 L N 1.473 122.731 121.223 0.057 0.000 2.356 256 L HA 0.476 4.814 4.340 -0.003 0.000 0.277 256 L C -1.918 174.964 176.870 0.021 0.000 0.996 256 L CA -2.409 52.459 54.840 0.047 0.000 0.822 256 L CB 2.513 44.592 42.059 0.034 0.000 1.256 256 L HN 0.068 nan 8.230 nan 0.000 0.413 257 P HA 0.158 nan 4.420 nan 0.000 0.289 257 P C 0.652 177.956 177.300 0.007 0.000 1.299 257 P CA -0.512 62.597 63.100 0.016 0.000 0.766 257 P CB 0.717 32.432 31.700 0.024 0.000 1.226 258 S N -0.272 115.434 115.700 0.009 0.000 2.377 258 S HA -0.171 4.297 4.470 -0.003 0.000 0.224 258 S C 2.055 176.658 174.600 0.005 0.000 1.042 258 S CA 2.286 60.489 58.200 0.006 0.000 1.086 258 S CB -1.613 61.594 63.200 0.010 0.000 0.995 258 S HN 0.624 nan 8.310 nan 0.000 0.428 259 G N 0.425 109.236 108.800 0.019 0.000 2.712 259 G HA2 0.028 3.987 3.960 -0.003 0.000 0.212 259 G HA3 0.028 3.987 3.960 -0.003 0.000 0.212 259 G C 1.572 176.489 174.900 0.028 0.000 1.142 259 G CA -0.127 44.992 45.100 0.031 0.000 0.789 259 G HN 0.380 nan 8.290 nan 0.000 0.535 260 R N 0.482 120.989 120.500 0.013 0.000 2.127 260 R HA -0.007 4.331 4.340 -0.003 0.000 0.217 260 R C 2.581 178.725 176.300 -0.259 0.000 1.074 260 R CA 1.096 57.185 56.100 -0.019 0.000 0.991 260 R CB -0.326 30.021 30.300 0.079 0.000 0.895 260 R HN 0.701 nan 8.270 nan 0.000 0.450 261 Q N 0.127 119.837 119.800 -0.151 0.000 2.432 261 Q HA -0.040 4.298 4.340 -0.003 0.000 0.205 261 Q C 0.333 176.236 176.000 -0.161 0.000 0.945 261 Q CA 0.940 56.641 55.803 -0.170 0.000 0.924 261 Q CB 0.100 28.794 28.738 -0.074 0.000 1.016 261 Q HN 0.022 nan 8.270 nan 0.000 0.503 262 D N 1.446 121.777 120.400 -0.115 0.000 2.224 262 D HA -0.047 4.591 4.640 -0.003 0.000 0.205 262 D C 1.894 178.141 176.300 -0.089 0.000 0.965 262 D CA 1.402 55.363 54.000 -0.066 0.000 0.852 262 D CB -0.214 40.584 40.800 -0.002 0.000 0.947 262 D HN 0.495 nan 8.370 nan 0.000 0.494 263 G N 0.105 108.788 108.800 -0.195 0.000 2.408 263 G HA2 -0.121 3.837 3.960 -0.003 0.000 0.215 263 G HA3 -0.121 3.837 3.960 -0.003 0.000 0.215 263 G C 1.738 176.451 174.900 -0.312 0.000 1.156 263 G CA 0.241 45.237 45.100 -0.174 0.000 0.793 263 G HN 0.215 nan 8.290 nan 0.000 0.535 264 V N 1.026 120.602 119.914 -0.564 0.000 2.548 264 V HA -0.015 4.103 4.120 -0.003 0.000 0.249 264 V C 2.771 178.755 176.094 -0.184 0.000 1.055 264 V CA 0.939 63.023 62.300 -0.361 0.000 1.065 264 V CB -0.223 31.385 31.823 -0.358 0.000 0.681 264 V HN 0.310 nan 8.190 nan 0.000 0.462 265 L N -0.974 120.166 121.223 -0.138 0.000 2.156 265 L HA -0.075 4.263 4.340 -0.003 0.000 0.208 265 L C 2.306 179.149 176.870 -0.046 0.000 1.095 265 L CA 1.316 56.116 54.840 -0.067 0.000 0.770 265 L CB -0.384 41.650 42.059 -0.042 0.000 0.914 265 L HN 0.318 nan 8.230 nan 0.000 0.439 266 L N -0.839 120.359 121.223 -0.042 0.000 2.217 266 L HA -0.127 4.211 4.340 -0.003 0.000 0.211 266 L C 2.360 179.226 176.870 -0.006 0.000 1.107 266 L CA 0.485 55.315 54.840 -0.016 0.000 0.783 266 L CB -0.121 41.949 42.059 0.018 0.000 0.919 266 L HN 0.061 nan 8.230 nan 0.000 0.442 267 V N -0.459 119.454 119.914 -0.001 0.000 2.591 267 V HA -0.127 3.991 4.120 -0.003 0.000 0.249 267 V C 2.552 178.630 176.094 -0.026 0.000 1.053 267 V CA 1.437 63.741 62.300 0.006 0.000 1.068 267 V CB -0.572 31.276 31.823 0.042 0.000 0.689 267 V HN 0.435 nan 8.190 nan 0.000 0.462 268 A N -0.070 122.718 122.820 -0.052 0.000 2.066 268 A HA -0.062 4.257 4.320 -0.003 0.000 0.218 268 A C 2.057 179.690 177.584 0.081 0.000 1.157 268 A CA 1.291 53.331 52.037 0.005 0.000 0.670 268 A CB -0.340 18.644 19.000 -0.027 0.000 0.804 268 A HN 0.454 nan 8.150 nan 0.000 0.453 269 L N 0.488 121.700 121.223 -0.019 0.000 2.240 269 L HA -0.028 4.310 4.340 -0.003 0.000 0.211 269 L C 2.429 179.164 176.870 -0.225 0.000 1.106 269 L CA 2.442 57.206 54.840 -0.127 0.000 0.793 269 L CB -0.446 41.514 42.059 -0.164 0.000 0.927 269 L HN 0.410 nan 8.230 nan 0.000 0.446 270 S N -1.877 113.762 115.700 -0.102 0.000 2.470 270 S HA 0.043 4.512 4.470 -0.003 0.000 0.225 270 S C 1.305 175.916 174.600 0.018 0.000 1.006 270 S CA 0.342 58.512 58.200 -0.049 0.000 0.934 270 S CB -0.439 62.774 63.200 0.022 0.000 0.778 270 S HN 0.510 nan 8.310 nan 0.000 0.517 271 N N 2.624 121.353 118.700 0.048 0.000 2.321 271 N HA 0.137 4.875 4.740 -0.003 0.000 0.242 271 N C -0.533 175.070 175.510 0.155 0.000 1.141 271 N CA -0.018 53.096 53.050 0.106 0.000 0.864 271 N CB 0.452 39.010 38.487 0.119 0.000 1.100 271 N HN 0.813 nan 8.380 nan 0.000 0.510 272 E N 1.113 121.361 120.200 0.080 0.000 2.415 272 E HA 0.143 4.492 4.350 -0.003 0.000 0.263 272 E C -2.288 174.284 176.600 -0.047 0.000 0.995 272 E CA -1.307 55.109 56.400 0.025 0.000 0.915 272 E CB 0.155 29.855 29.700 -0.001 0.000 0.951 272 E HN -0.039 nan 8.360 nan 0.000 0.449 273 P HA -0.012 nan 4.420 nan 0.000 0.266 273 P C -0.279 176.950 177.300 -0.118 0.000 1.195 273 P CA 0.045 63.019 63.100 -0.210 0.000 0.768 273 P CB 1.013 32.477 31.700 -0.394 0.000 0.838 274 A N 1.730 124.503 122.820 -0.078 0.000 2.259 274 A HA 0.488 4.806 4.320 -0.003 0.000 0.208 274 A C 0.764 178.312 177.584 -0.060 0.000 1.201 274 A CA 0.829 52.837 52.037 -0.049 0.000 0.824 274 A CB -0.545 18.439 19.000 -0.027 0.000 0.838 274 A HN 0.642 nan 8.150 nan 0.000 0.485 275 A N -0.604 122.162 122.820 -0.090 0.000 2.606 275 A HA 0.650 4.968 4.320 -0.003 0.000 0.293 275 A C -0.224 177.285 177.584 -0.124 0.000 1.082 275 A CA -0.777 51.207 52.037 -0.088 0.000 0.685 275 A CB 0.602 19.557 19.000 -0.075 0.000 1.284 275 A HN 0.364 nan 8.150 nan 0.000 0.408 276 R N 1.399 121.834 120.500 -0.107 0.000 2.442 276 R HA 0.410 4.748 4.340 -0.003 0.000 0.291 276 R C -0.715 175.498 176.300 -0.145 0.000 1.069 276 R CA -0.323 55.701 56.100 -0.128 0.000 1.022 276 R CB -0.031 30.215 30.300 -0.090 0.000 0.976 276 R HN 0.639 nan 8.270 nan 0.000 0.443 277 L N 4.318 125.421 121.223 -0.201 0.000 2.485 277 L HA 0.068 4.406 4.340 -0.003 0.000 0.275 277 L C 1.601 178.384 176.870 -0.145 0.000 1.207 277 L CA 0.184 54.903 54.840 -0.200 0.000 0.855 277 L CB 0.653 42.541 42.059 -0.284 0.000 1.114 277 L HN 0.968 nan 8.230 nan 0.000 0.485 278 G N 1.772 110.503 108.800 -0.114 0.000 2.508 278 G HA2 -0.043 3.915 3.960 -0.003 0.000 0.212 278 G HA3 -0.043 3.915 3.960 -0.003 0.000 0.212 278 G C 0.574 175.429 174.900 -0.075 0.000 1.206 278 G CA -0.089 44.963 45.100 -0.080 0.000 0.822 278 G HN 0.561 nan 8.290 nan 0.000 0.550 279 S N 0.408 116.063 115.700 -0.076 0.000 2.585 279 S HA 0.136 4.605 4.470 -0.003 0.000 0.273 279 S C 1.216 175.757 174.600 -0.097 0.000 1.339 279 S CA -0.312 57.849 58.200 -0.064 0.000 1.028 279 S CB 1.863 65.032 63.200 -0.051 0.000 0.906 279 S HN 0.515 nan 8.310 nan 0.000 0.528 280 E N 1.444 121.611 120.200 -0.055 0.000 2.274 280 E HA -0.116 4.233 4.350 -0.003 0.000 0.194 280 E C 1.662 178.201 176.600 -0.102 0.000 0.996 280 E CA 0.818 57.186 56.400 -0.054 0.000 0.840 280 E CB -0.075 29.674 29.700 0.080 0.000 0.772 280 E HN 0.718 nan 8.360 nan 0.000 0.491 281 A N 0.846 123.624 122.820 -0.069 0.000 2.021 281 A HA -0.081 4.237 4.320 -0.003 0.000 0.216 281 A C 1.653 179.182 177.584 -0.091 0.000 1.163 281 A CA 1.008 53.008 52.037 -0.061 0.000 0.676 281 A CB -0.033 18.958 19.000 -0.015 0.000 0.818 281 A HN 0.152 nan 8.150 nan 0.000 0.453 282 D N 0.141 120.476 120.400 -0.108 0.000 2.183 282 D HA 0.044 4.683 4.640 -0.003 0.000 0.203 282 D C 2.118 178.323 176.300 -0.159 0.000 0.969 282 D CA 1.299 55.234 54.000 -0.108 0.000 0.842 282 D CB -0.145 40.591 40.800 -0.106 0.000 0.957 282 D HN 0.397 nan 8.370 nan 0.000 0.484 283 A N 0.592 123.235 122.820 -0.295 0.000 1.970 283 A HA -0.099 4.219 4.320 -0.003 0.000 0.216 283 A C 2.022 179.321 177.584 -0.475 0.000 1.170 283 A CA 0.894 52.642 52.037 -0.482 0.000 0.645 283 A CB -0.116 18.308 19.000 -0.960 0.000 0.816 283 A HN 0.070 nan 8.150 nan 0.000 0.447 284 K N -0.233 119.905 120.400 -0.436 0.000 2.062 284 K HA 0.015 4.333 4.320 -0.003 0.000 0.205 284 K C 2.239 178.688 176.600 -0.251 0.000 1.051 284 K CA 1.023 56.998 56.287 -0.519 0.000 0.941 284 K CB -0.244 31.976 32.500 -0.467 0.000 0.719 284 K HN 0.406 nan 8.250 nan 0.000 0.440 285 A N 0.891 123.641 122.820 -0.117 0.000 2.015 285 A HA -0.145 4.173 4.320 -0.003 0.000 0.219 285 A C 1.902 179.462 177.584 -0.039 0.000 1.163 285 A CA 0.909 52.925 52.037 -0.036 0.000 0.646 285 A CB -0.536 18.464 19.000 0.000 0.000 0.806 285 A HN 0.364 nan 8.150 nan 0.000 0.448 286 F N 0.454 120.293 119.950 -0.184 0.000 2.113 286 F HA -0.054 4.474 4.527 0.000 0.000 0.297 286 F C 1.736 177.425 175.800 -0.185 0.000 1.103 286 F CA 1.507 59.405 58.000 -0.171 0.000 1.248 286 F CB -0.314 38.571 39.000 -0.191 0.000 0.999 286 F HN 0.118 nan 8.300 nan 0.000 0.475 287 L N 0.122 121.126 121.223 -0.365 0.000 2.191 287 L HA -0.194 4.144 4.340 -0.003 0.000 0.212 287 L C 2.018 178.569 176.870 -0.532 0.000 1.103 287 L CA 1.071 55.655 54.840 -0.427 0.000 0.769 287 L CB -0.769 41.201 42.059 -0.149 0.000 0.908 287 L HN 0.114 nan 8.230 nan 0.000 0.438 288 D N -0.338 119.763 120.400 -0.499 0.000 2.077 288 D HA -0.157 4.481 4.640 -0.003 0.000 0.193 288 D C 2.371 178.296 176.300 -0.625 0.000 0.989 288 D CA 1.893 55.420 54.000 -0.788 0.000 0.831 288 D CB -0.270 40.376 40.800 -0.256 0.000 0.979 288 D HN 0.284 nan 8.370 nan 0.000 0.449 289 S N -0.148 115.371 115.700 -0.301 0.000 2.447 289 S HA -0.091 4.377 4.470 -0.003 0.000 0.233 289 S C 1.846 176.321 174.600 -0.208 0.000 1.006 289 S CA 0.676 58.781 58.200 -0.158 0.000 0.957 289 S CB -0.154 62.999 63.200 -0.079 0.000 0.773 289 S HN 0.095 nan 8.310 nan 0.000 0.507 290 M N 1.503 120.871 119.600 -0.387 0.000 2.349 290 M HA 0.280 4.758 4.480 -0.003 0.000 0.266 290 M C 2.351 178.537 176.300 -0.189 0.000 1.076 290 M CA 1.062 56.153 55.300 -0.349 0.000 1.126 290 M CB -1.568 30.672 32.600 -0.600 0.000 1.392 290 M HN 0.525 nan 8.290 nan 0.000 0.440 291 A N -0.873 121.799 122.820 -0.247 0.000 2.169 291 A HA -0.016 4.302 4.320 -0.003 0.000 0.212 291 A C 2.027 179.772 177.584 0.268 0.000 1.153 291 A CA 0.631 52.647 52.037 -0.034 0.000 0.756 291 A CB -0.256 18.634 19.000 -0.183 0.000 0.813 291 A HN 0.526 nan 8.150 nan 0.000 0.471 292 Q N -0.803 119.121 119.800 0.206 0.000 2.396 292 Q HA 0.087 4.425 4.340 -0.003 0.000 0.209 292 Q C 1.448 177.531 176.000 0.139 0.000 0.906 292 Q CA 0.354 56.324 55.803 0.278 0.000 0.927 292 Q CB 0.195 29.130 28.738 0.328 0.000 1.069 292 Q HN 0.589 nan 8.270 nan 0.000 0.523 293 K N -0.329 120.122 120.400 0.086 0.000 2.228 293 K HA -0.112 4.206 4.320 -0.003 0.000 0.202 293 K C 1.663 178.311 176.600 0.079 0.000 1.051 293 K CA 0.685 57.005 56.287 0.054 0.000 0.960 293 K CB 0.086 32.597 32.500 0.018 0.000 0.743 293 K HN 0.171 nan 8.250 nan 0.000 0.458 294 Y N 1.161 121.461 120.300 -0.001 0.000 2.314 294 Y HA -0.074 4.475 4.550 -0.002 0.000 0.293 294 Y C 2.044 177.965 175.900 0.034 0.000 1.129 294 Y CA 0.977 59.083 58.100 0.010 0.000 1.201 294 Y CB -0.143 38.322 38.460 0.008 0.000 0.999 294 Y HN -0.015 nan 8.280 nan 0.000 0.541 295 A N -0.108 122.751 122.820 0.064 0.000 1.933 295 A HA -0.173 4.146 4.320 -0.003 0.000 0.218 295 A C 2.184 179.711 177.584 -0.094 0.000 1.175 295 A CA 2.001 54.031 52.037 -0.012 0.000 0.628 295 A CB -1.102 17.978 19.000 0.133 0.000 0.814 295 A HN 0.546 nan 8.150 nan 0.000 0.444 296 S N -1.471 114.197 115.700 -0.054 0.000 2.577 296 S HA 0.365 4.833 4.470 -0.003 0.000 0.219 296 S C 1.098 175.648 174.600 -0.082 0.000 0.962 296 S CA 0.098 58.264 58.200 -0.057 0.000 0.921 296 S CB -0.160 63.028 63.200 -0.019 0.000 0.789 296 S HN 0.462 nan 8.310 nan 0.000 0.497 297 I N 0.265 120.756 120.570 -0.131 0.000 4.035 297 I HA 0.159 4.328 4.170 -0.003 0.000 0.321 297 I C 1.182 177.186 176.117 -0.187 0.000 1.289 297 I CA 0.303 61.525 61.300 -0.131 0.000 1.236 297 I CB 0.692 38.636 38.000 -0.094 0.000 1.076 297 I HN 0.188 nan 8.210 nan 0.000 0.418 298 V N 0.033 119.758 119.914 -0.315 0.000 3.379 298 V HA 0.333 4.451 4.120 -0.003 0.000 0.249 298 V C 1.401 177.379 176.094 -0.194 0.000 1.184 298 V CA 0.883 62.994 62.300 -0.315 0.000 1.106 298 V CB 0.412 31.866 31.823 -0.616 0.000 0.826 298 V HN 0.548 nan 8.190 nan 0.000 0.465 299 G N 1.078 109.774 108.800 -0.173 0.000 2.141 299 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.195 299 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.195 299 G C -0.107 174.747 174.900 -0.077 0.000 1.012 299 G CA 0.007 45.047 45.100 -0.099 0.000 0.696 299 G HN 0.519 nan 8.290 nan 0.000 0.508 300 V N 0.248 120.110 119.914 -0.087 0.000 2.444 300 V HA 0.640 4.758 4.120 -0.003 0.000 0.294 300 V C 0.029 176.113 176.094 -0.017 0.000 1.022 300 V CA -1.056 61.220 62.300 -0.041 0.000 0.850 300 V CB 1.842 33.653 31.823 -0.019 0.000 0.992 300 V HN 0.269 nan 8.190 nan 0.000 0.426 301 D N 2.829 123.216 120.400 -0.023 0.000 2.432 301 D HA 0.715 5.353 4.640 -0.003 0.000 0.258 301 D C -0.407 175.858 176.300 -0.058 0.000 1.146 301 D CA -0.080 53.900 54.000 -0.033 0.000 1.015 301 D CB 1.531 42.307 40.800 -0.041 0.000 1.107 301 D HN 0.400 nan 8.370 nan 0.000 0.529 329 E N 1.157 121.366 120.200 0.013 0.000 2.285 329 E HA -0.113 4.235 4.350 -0.003 0.000 0.194 329 E C 1.490 178.099 176.600 0.015 0.000 0.997 329 E CA 0.917 57.324 56.400 0.011 0.000 0.845 329 E CB 0.233 29.937 29.700 0.007 0.000 0.782 329 E HN 0.525 nan 8.360 nan 0.000 0.491 330 E N 1.500 121.711 120.200 0.018 0.000 2.274 330 E HA -0.146 4.202 4.350 -0.003 0.000 0.194 330 E C 1.968 178.585 176.600 0.027 0.000 0.996 330 E CA 0.333 56.746 56.400 0.021 0.000 0.840 330 E CB 0.105 29.818 29.700 0.022 0.000 0.772 330 E HN 0.328 nan 8.360 nan 0.000 0.491 331 I N 1.203 121.790 120.570 0.029 0.000 2.233 331 I HA -0.233 3.936 4.170 -0.003 0.000 0.243 331 I C 2.629 178.780 176.117 0.057 0.000 1.093 331 I CA 1.890 63.213 61.300 0.037 0.000 1.380 331 I CB -0.518 37.501 38.000 0.033 0.000 1.067 331 I HN 0.190 nan 8.210 nan 0.000 0.413 332 T N -0.845 113.738 114.554 0.049 0.000 2.788 332 T HA -0.231 4.117 4.350 -0.003 0.000 0.268 332 T C 1.857 176.585 174.700 0.046 0.000 1.044 332 T CA 1.516 63.646 62.100 0.050 0.000 1.139 332 T CB -0.417 68.459 68.868 0.014 0.000 0.867 332 T HN 0.387 nan 8.240 nan 0.000 0.454 333 K N 0.631 121.050 120.400 0.032 0.000 2.103 333 K HA -0.111 4.207 4.320 -0.003 0.000 0.207 333 K C 2.225 178.851 176.600 0.043 0.000 1.048 333 K CA 1.603 57.906 56.287 0.025 0.000 0.930 333 K CB -0.250 32.260 32.500 0.017 0.000 0.716 333 K HN 0.334 nan 8.250 nan 0.000 0.444 334 D N -0.130 120.304 120.400 0.057 0.000 2.183 334 D HA -0.131 4.507 4.640 -0.003 0.000 0.203 334 D C 1.723 178.087 176.300 0.107 0.000 0.969 334 D CA 0.997 55.033 54.000 0.060 0.000 0.842 334 D CB 0.078 40.904 40.800 0.042 0.000 0.957 334 D HN 0.349 nan 8.370 nan 0.000 0.484 335 H N -0.073 118.996 119.070 -0.000 0.000 2.333 335 H HA 0.027 4.581 4.556 -0.003 0.000 0.302 335 H C 1.913 177.240 175.328 -0.001 0.000 1.075 335 H CA 0.910 56.958 56.048 -0.001 0.000 1.348 335 H CB 0.353 30.115 29.762 -0.001 0.000 1.393 335 H HN -0.067 nan 8.280 nan 0.000 0.509 336 K N 0.137 120.573 120.400 0.059 0.000 2.103 336 K HA -0.126 4.192 4.320 -0.003 0.000 0.207 336 K C 2.148 178.763 176.600 0.025 0.000 1.048 336 K CA 1.306 57.571 56.287 -0.037 0.000 0.930 336 K CB 0.062 32.530 32.500 -0.053 0.000 0.716 336 K HN 0.137 nan 8.250 nan 0.000 0.444 337 V N 1.751 121.695 119.914 0.049 0.000 2.252 337 V HA -0.287 3.832 4.120 -0.003 0.000 0.249 337 V C 2.192 178.319 176.094 0.054 0.000 1.056 337 V CA 1.817 64.141 62.300 0.041 0.000 1.022 337 V CB -0.625 31.221 31.823 0.037 0.000 0.641 337 V HN 0.321 nan 8.190 nan 0.000 0.445 338 L N 1.435 122.713 121.223 0.091 0.000 1.990 338 L HA -0.182 4.156 4.340 -0.003 0.000 0.213 338 L C 2.425 179.349 176.870 0.089 0.000 1.072 338 L CA 2.714 57.610 54.840 0.093 0.000 0.755 338 L CB -1.231 40.899 42.059 0.118 0.000 0.889 338 L HN 0.207 nan 8.230 nan 0.000 0.432 339 A N -0.528 122.360 122.820 0.114 0.000 1.902 339 A HA -0.241 4.078 4.320 -0.003 0.000 0.217 339 A C 2.428 180.030 177.584 0.031 0.000 1.181 339 A CA 1.770 53.844 52.037 0.063 0.000 0.623 339 A CB -0.697 18.310 19.000 0.013 0.000 0.818 339 A HN 0.509 nan 8.150 nan 0.000 0.443 340 R N 0.026 120.539 120.500 0.022 0.000 2.127 340 R HA -0.134 4.204 4.340 -0.003 0.000 0.238 340 R C 2.112 178.422 176.300 0.018 0.000 1.134 340 R CA 2.152 58.260 56.100 0.013 0.000 0.975 340 R CB -0.705 29.600 30.300 0.008 0.000 0.865 340 R HN 0.717 nan 8.270 nan 0.000 0.447 341 Q N -0.650 119.164 119.800 0.024 0.000 2.096 341 Q HA -0.066 4.272 4.340 -0.003 0.000 0.197 341 Q C 2.066 178.080 176.000 0.023 0.000 0.964 341 Q CA 1.330 57.146 55.803 0.022 0.000 0.838 341 Q CB 0.074 28.825 28.738 0.021 0.000 0.906 341 Q HN 0.469 nan 8.270 nan 0.000 0.444 342 Q N 0.371 120.187 119.800 0.026 0.000 2.181 342 Q HA -0.182 4.156 4.340 -0.003 0.000 0.205 342 Q C 2.127 178.142 176.000 0.025 0.000 0.980 342 Q CA 0.929 56.746 55.803 0.024 0.000 0.862 342 Q CB -0.147 28.608 28.738 0.029 0.000 0.905 342 Q HN 0.424 nan 8.270 nan 0.000 0.429 343 L N 0.538 121.775 121.223 0.024 0.000 1.988 343 L HA -0.236 4.103 4.340 -0.003 0.000 0.207 343 L C 2.573 179.460 176.870 0.028 0.000 1.071 343 L CA 1.265 56.119 54.840 0.023 0.000 0.744 343 L CB -0.214 41.854 42.059 0.016 0.000 0.893 343 L HN 0.245 nan 8.230 nan 0.000 0.433 344 Q N -0.652 119.162 119.800 0.024 0.000 2.062 344 Q HA -0.276 4.062 4.340 -0.003 0.000 0.209 344 Q C 2.221 178.242 176.000 0.036 0.000 0.996 344 Q CA 2.211 58.029 55.803 0.026 0.000 0.859 344 Q CB -0.983 27.768 28.738 0.021 0.000 0.920 344 Q HN 0.531 nan 8.270 nan 0.000 0.415 345 V N 0.552 120.487 119.914 0.036 0.000 2.490 345 V HA -0.203 3.915 4.120 -0.003 0.000 0.250 345 V C 2.208 178.346 176.094 0.074 0.000 1.061 345 V CA 1.210 63.537 62.300 0.045 0.000 1.064 345 V CB -0.350 31.489 31.823 0.028 0.000 0.670 345 V HN 0.288 nan 8.190 nan 0.000 0.461 346 L N -0.108 121.157 121.223 0.070 0.000 2.027 346 L HA -0.039 4.299 4.340 -0.003 0.000 0.206 346 L C 2.804 179.749 176.870 0.125 0.000 1.074 346 L CA 1.659 56.564 54.840 0.108 0.000 0.745 346 L CB -0.734 41.369 42.059 0.074 0.000 0.898 346 L HN 0.435 nan 8.230 nan 0.000 0.433 347 A N -0.043 122.821 122.820 0.072 0.000 1.908 347 A HA -0.302 4.016 4.320 -0.003 0.000 0.218 347 A C 2.344 179.956 177.584 0.047 0.000 1.181 347 A CA 2.072 54.137 52.037 0.047 0.000 0.627 347 A CB -0.678 18.340 19.000 0.029 0.000 0.818 347 A HN 0.397 nan 8.150 nan 0.000 0.445 348 R N -1.846 118.692 120.500 0.062 0.000 2.097 348 R HA -0.251 4.088 4.340 -0.003 0.000 0.236 348 R C 2.123 178.472 176.300 0.083 0.000 1.135 348 R CA 2.313 58.450 56.100 0.062 0.000 0.934 348 R CB -0.686 29.653 30.300 0.066 0.000 0.846 348 R HN 0.596 nan 8.270 nan 0.000 0.431 349 Y N 1.188 121.490 120.300 0.002 0.000 2.151 349 Y HA -0.199 4.349 4.550 -0.004 0.000 0.284 349 Y C 1.778 177.679 175.900 0.002 0.000 1.166 349 Y CA 1.764 59.865 58.100 0.002 0.000 1.163 349 Y CB -0.310 38.151 38.460 0.002 0.000 0.974 349 Y HN 0.119 nan 8.280 nan 0.000 0.511 350 L N 0.305 121.451 121.223 -0.130 0.000 2.465 350 L HA -0.112 4.227 4.340 -0.003 0.000 0.224 350 L C 0.990 177.771 176.870 -0.149 0.000 1.145 350 L CA 1.067 55.787 54.840 -0.200 0.000 0.834 350 L CB -0.443 41.586 42.059 -0.050 0.000 0.944 350 L HN 0.177 nan 8.230 nan 0.000 0.451 351 K N 0.603 120.943 120.400 -0.099 0.000 3.069 351 K HA -0.201 4.118 4.320 -0.003 0.000 0.267 351 K C -0.093 176.482 176.600 -0.042 0.000 1.082 351 K CA 0.726 56.974 56.287 -0.065 0.000 0.782 351 K CB -1.521 30.927 32.500 -0.086 0.000 1.230 351 K HN 0.433 nan 8.250 nan 0.000 0.488 352 M N -0.876 118.707 119.600 -0.029 0.000 2.227 352 M HA 0.357 4.835 4.480 -0.003 0.000 0.335 352 M C -0.412 175.885 176.300 -0.006 0.000 1.053 352 M CA -0.779 54.511 55.300 -0.018 0.000 0.973 352 M CB 1.674 34.264 32.600 -0.016 0.000 1.623 352 M HN -0.104 nan 8.290 nan 0.000 0.434 353 D N 4.090 124.487 120.400 -0.004 0.000 2.374 353 D HA 0.225 4.864 4.640 -0.003 0.000 0.240 353 D C 0.627 176.929 176.300 0.004 0.000 1.229 353 D CA -0.149 53.852 54.000 0.001 0.000 0.895 353 D CB 0.632 41.434 40.800 0.002 0.000 1.046 353 D HN 0.821 nan 8.370 nan 0.000 0.498 354 L N 2.235 123.461 121.223 0.005 0.000 2.376 354 L HA -0.030 4.309 4.340 -0.003 0.000 0.219 354 L C 0.916 177.789 176.870 0.005 0.000 1.133 354 L CA 0.637 55.479 54.840 0.004 0.000 0.816 354 L CB 0.023 42.085 42.059 0.004 0.000 0.933 354 L HN 0.288 nan 8.230 nan 0.000 0.449 355 D N -1.093 119.313 120.400 0.009 0.000 2.369 355 D HA -0.053 4.586 4.640 -0.003 0.000 0.211 355 D C 1.735 178.049 176.300 0.023 0.000 1.077 355 D CA 0.169 54.178 54.000 0.015 0.000 0.842 355 D CB 0.031 40.841 40.800 0.016 0.000 0.947 355 D HN 0.227 nan 8.370 nan 0.000 0.509 356 N N 0.736 119.448 118.700 0.020 0.000 2.205 356 N HA -0.142 4.597 4.740 -0.003 0.000 0.186 356 N C 1.852 177.385 175.510 0.038 0.000 1.015 356 N CA 1.184 54.249 53.050 0.025 0.000 0.862 356 N CB 0.189 38.686 38.487 0.017 0.000 0.986 356 N HN 0.124 nan 8.380 nan 0.000 0.429 357 G N 1.445 110.264 108.800 0.032 0.000 2.511 357 G HA2 -0.249 3.710 3.960 -0.003 0.000 0.216 357 G HA3 -0.249 3.710 3.960 -0.003 0.000 0.216 357 G C 1.375 176.328 174.900 0.088 0.000 1.218 357 G CA 0.518 45.642 45.100 0.041 0.000 0.788 357 G HN 0.338 nan 8.290 nan 0.000 0.560 358 E N 0.358 120.602 120.200 0.074 0.000 2.160 358 E HA -0.108 4.241 4.350 -0.003 0.000 0.195 358 E C 2.668 179.376 176.600 0.180 0.000 0.991 358 E CA 0.557 57.045 56.400 0.146 0.000 0.810 358 E CB -0.129 29.624 29.700 0.088 0.000 0.742 358 E HN 0.398 nan 8.360 nan 0.000 0.466 359 R N 0.760 121.322 120.500 0.102 0.000 2.096 359 R HA -0.135 4.203 4.340 -0.003 0.000 0.229 359 R C 2.467 178.811 176.300 0.072 0.000 1.134 359 R CA 1.761 57.903 56.100 0.071 0.000 0.917 359 R CB -0.182 30.143 30.300 0.042 0.000 0.832 359 R HN 0.012 nan 8.270 nan 0.000 0.430 360 K N -0.155 120.289 120.400 0.074 0.000 2.089 360 K HA -0.232 4.087 4.320 -0.003 0.000 0.210 360 K C 1.939 178.589 176.600 0.083 0.000 1.048 360 K CA 1.907 58.232 56.287 0.063 0.000 0.926 360 K CB -0.405 32.134 32.500 0.065 0.000 0.714 360 K HN 0.129 nan 8.250 nan 0.000 0.448 361 F N 1.687 121.636 119.950 -0.001 0.000 2.095 361 F HA -0.178 4.347 4.527 -0.004 0.000 0.298 361 F C 1.677 177.477 175.800 -0.000 0.000 1.104 361 F CA 1.412 59.412 58.000 -0.000 0.000 1.232 361 F CB -0.307 38.693 39.000 -0.000 0.000 0.987 361 F HN -0.097 nan 8.300 nan 0.000 0.475 362 L N 0.306 121.415 121.223 -0.190 0.000 2.131 362 L HA -0.216 4.122 4.340 -0.003 0.000 0.210 362 L C 2.601 179.322 176.870 -0.249 0.000 1.092 362 L CA 1.658 56.316 54.840 -0.304 0.000 0.759 362 L CB -0.732 41.300 42.059 -0.044 0.000 0.903 362 L HN 0.224 nan 8.230 nan 0.000 0.435 363 K N -0.080 120.232 120.400 -0.147 0.000 2.062 363 K HA -0.147 4.171 4.320 -0.003 0.000 0.205 363 K C 1.970 178.495 176.600 -0.125 0.000 1.051 363 K CA 0.921 57.146 56.287 -0.104 0.000 0.941 363 K CB 0.222 32.692 32.500 -0.050 0.000 0.719 363 K HN 0.168 nan 8.250 nan 0.000 0.440 364 E N 1.080 121.191 120.200 -0.148 0.000 2.072 364 E HA -0.188 4.161 4.350 -0.003 0.000 0.191 364 E C 1.815 178.302 176.600 -0.188 0.000 0.985 364 E CA 0.925 57.246 56.400 -0.131 0.000 0.801 364 E CB -0.103 29.546 29.700 -0.084 0.000 0.750 364 E HN 0.297 nan 8.360 nan 0.000 0.452 365 K N 0.726 120.914 120.400 -0.354 0.000 2.160 365 K HA -0.193 4.126 4.320 -0.003 0.000 0.206 365 K C 1.432 177.917 176.600 -0.192 0.000 1.047 365 K CA 1.522 57.601 56.287 -0.347 0.000 0.930 365 K CB 0.108 32.251 32.500 -0.595 0.000 0.720 365 K HN -0.041 nan 8.250 nan 0.000 0.450 366 D N -0.296 120.004 120.400 -0.166 0.000 2.077 366 D HA -0.130 4.509 4.640 -0.003 0.000 0.196 366 D C 1.860 178.115 176.300 -0.074 0.000 0.986 366 D CA 2.088 56.026 54.000 -0.102 0.000 0.829 366 D CB -0.650 40.098 40.800 -0.087 0.000 0.983 366 D HN 0.391 nan 8.370 nan 0.000 0.453 367 T N -1.247 113.264 114.554 -0.070 0.000 2.996 367 T HA -0.102 4.246 4.350 -0.003 0.000 0.271 367 T C 1.960 176.634 174.700 -0.042 0.000 1.126 367 T CA 0.790 62.861 62.100 -0.048 0.000 1.103 367 T CB -0.442 68.401 68.868 -0.042 0.000 0.870 367 T HN -0.065 nan 8.240 nan 0.000 0.528 368 V N 1.282 121.164 119.914 -0.054 0.000 2.379 368 V HA 0.178 4.296 4.120 -0.003 0.000 0.243 368 V C 3.136 179.214 176.094 -0.028 0.000 1.035 368 V CA 1.266 63.542 62.300 -0.038 0.000 1.035 368 V CB -1.079 30.717 31.823 -0.046 0.000 0.673 368 V HN 0.639 nan 8.190 nan 0.000 0.457 369 A N -0.583 122.217 122.820 -0.035 0.000 2.070 369 A HA -0.243 4.075 4.320 -0.003 0.000 0.220 369 A C 2.153 179.727 177.584 -0.017 0.000 1.159 369 A CA 1.932 53.956 52.037 -0.022 0.000 0.656 369 A CB -0.402 18.581 19.000 -0.027 0.000 0.800 369 A HN 0.652 nan 8.150 nan 0.000 0.453 370 E N -0.005 120.181 120.200 -0.023 0.000 2.015 370 E HA -0.132 4.216 4.350 -0.003 0.000 0.191 370 E C 1.932 178.526 176.600 -0.010 0.000 0.991 370 E CA 1.069 57.457 56.400 -0.019 0.000 0.802 370 E CB -0.191 29.494 29.700 -0.025 0.000 0.759 370 E HN 0.591 nan 8.360 nan 0.000 0.447 371 L N 0.539 121.757 121.223 -0.009 0.000 1.994 371 L HA -0.206 4.132 4.340 -0.003 0.000 0.208 371 L C 2.855 179.731 176.870 0.010 0.000 1.071 371 L CA 1.445 56.286 54.840 0.001 0.000 0.745 371 L CB -0.775 41.283 42.059 -0.001 0.000 0.892 371 L HN 0.281 nan 8.230 nan 0.000 0.431 372 Q N 0.502 120.305 119.800 0.006 0.000 2.217 372 Q HA -0.235 4.103 4.340 -0.003 0.000 0.209 372 Q C 2.038 178.052 176.000 0.023 0.000 0.988 372 Q CA 2.228 58.039 55.803 0.012 0.000 0.878 372 Q CB -0.263 28.478 28.738 0.006 0.000 0.909 372 Q HN 0.465 nan 8.270 nan 0.000 0.424 373 A N 0.001 122.833 122.820 0.020 0.000 1.855 373 A HA -0.246 4.072 4.320 -0.003 0.000 0.215 373 A C 2.014 179.634 177.584 0.060 0.000 1.191 373 A CA 1.678 53.733 52.037 0.031 0.000 0.613 373 A CB -0.616 18.390 19.000 0.010 0.000 0.829 373 A HN 0.605 nan 8.150 nan 0.000 0.442 374 Q N -0.935 118.894 119.800 0.048 0.000 2.084 374 Q HA -0.114 4.224 4.340 -0.003 0.000 0.202 374 Q C 2.078 178.146 176.000 0.113 0.000 0.978 374 Q CA 1.338 57.187 55.803 0.077 0.000 0.844 374 Q CB -0.343 28.421 28.738 0.043 0.000 0.898 374 Q HN 0.545 nan 8.270 nan 0.000 0.426 375 L N 1.256 122.522 121.223 0.071 0.000 2.046 375 L HA -0.215 4.123 4.340 -0.003 0.000 0.208 375 L C 1.638 178.547 176.870 0.064 0.000 1.077 375 L CA 1.719 56.595 54.840 0.060 0.000 0.747 375 L CB -0.285 41.795 42.059 0.036 0.000 0.896 375 L HN 0.120 nan 8.230 nan 0.000 0.432 376 D N -1.715 118.726 120.400 0.068 0.000 2.133 376 D HA -0.279 4.359 4.640 -0.003 0.000 0.195 376 D C 1.923 178.271 176.300 0.081 0.000 0.997 376 D CA 1.539 55.577 54.000 0.063 0.000 0.840 376 D CB -0.247 40.591 40.800 0.062 0.000 0.947 376 D HN 0.429 nan 8.370 nan 0.000 0.452 377 Y N 0.727 121.028 120.300 0.002 0.000 2.133 377 Y HA -0.165 4.384 4.550 -0.002 0.000 0.287 377 Y C 2.115 178.015 175.900 -0.000 0.000 1.134 377 Y CA 0.976 59.076 58.100 -0.000 0.000 1.133 377 Y CB -0.469 37.989 38.460 -0.003 0.000 0.987 377 Y HN -0.111 nan 8.280 nan 0.000 0.502 378 L N 0.965 122.213 121.223 0.042 0.000 2.081 378 L HA -0.280 4.059 4.340 -0.003 0.000 0.212 378 L C 1.844 178.654 176.870 -0.099 0.000 1.080 378 L CA 2.010 56.826 54.840 -0.040 0.000 0.754 378 L CB -1.244 40.849 42.059 0.057 0.000 0.893 378 L HN 0.316 nan 8.230 nan 0.000 0.433 379 N N -1.335 117.331 118.700 -0.056 0.000 2.216 379 N HA -0.092 4.646 4.740 -0.003 0.000 0.183 379 N C 1.857 177.311 175.510 -0.093 0.000 1.017 379 N CA 1.084 54.108 53.050 -0.044 0.000 0.861 379 N CB -0.193 38.288 38.487 -0.010 0.000 0.986 379 N HN 0.397 nan 8.380 nan 0.000 0.428 380 A N 1.000 123.731 122.820 -0.148 0.000 1.908 380 A HA -0.177 4.142 4.320 -0.003 0.000 0.218 380 A C 1.995 179.432 177.584 -0.245 0.000 1.181 380 A CA 1.408 53.334 52.037 -0.185 0.000 0.627 380 A CB -0.286 18.586 19.000 -0.214 0.000 0.818 380 A HN 0.185 nan 8.150 nan 0.000 0.445 381 E N -0.484 119.495 120.200 -0.368 0.000 2.086 381 E HA 0.027 4.375 4.350 -0.003 0.000 0.190 381 E C 2.037 178.500 176.600 -0.227 0.000 0.975 381 E CA 0.817 57.021 56.400 -0.326 0.000 0.813 381 E CB -0.201 29.250 29.700 -0.416 0.000 0.768 381 E HN 0.661 nan 8.360 nan 0.000 0.457 382 L N -0.542 120.561 121.223 -0.199 0.000 2.354 382 L HA 0.187 4.525 4.340 -0.003 0.000 0.212 382 L C 1.085 177.922 176.870 -0.056 0.000 1.091 382 L CA 0.445 55.154 54.840 -0.218 0.000 0.828 382 L CB -0.036 41.914 42.059 -0.182 0.000 0.973 382 L HN 0.126 nan 8.230 nan 0.000 0.461 383 G N 0.168 108.959 108.800 -0.015 0.000 2.730 383 G HA2 -0.202 3.757 3.960 -0.003 0.000 0.686 383 G HA3 -0.202 3.757 3.960 -0.003 0.000 0.686 383 G C 0.180 175.131 174.900 0.085 0.000 1.343 383 G CA -0.198 44.924 45.100 0.038 0.000 0.826 383 G HN 0.133 nan 8.290 nan 0.000 0.582 384 E N -0.597 119.650 120.200 0.078 0.000 2.017 384 E HA -0.115 4.233 4.350 -0.003 0.000 0.193 384 E C 2.275 178.936 176.600 0.102 0.000 0.997 384 E CA 1.573 58.019 56.400 0.075 0.000 0.804 384 E CB -0.104 29.636 29.700 0.068 0.000 0.757 384 E HN 0.449 nan 8.360 nan 0.000 0.448 385 F N 0.556 120.473 119.950 -0.056 0.000 2.091 385 F HA -0.249 4.276 4.527 -0.003 0.000 0.299 385 F C 2.124 177.745 175.800 -0.300 0.000 1.103 385 F CA 1.419 59.333 58.000 -0.144 0.000 1.228 385 F CB -0.564 38.396 39.000 -0.066 0.000 0.984 385 F HN 0.018 nan 8.300 nan 0.000 0.477 386 F N -0.365 119.492 119.950 -0.155 0.000 2.084 386 F HA -0.177 4.348 4.527 -0.003 0.000 0.296 386 F C 2.224 177.862 175.800 -0.269 0.000 1.111 386 F CA 1.704 59.555 58.000 -0.248 0.000 1.224 386 F CB -0.632 38.384 39.000 0.026 0.000 0.991 386 F HN -0.232 nan 8.300 nan 0.000 0.471 387 V N 0.881 120.868 119.914 0.121 0.000 2.295 387 V HA -0.337 3.782 4.120 -0.003 0.000 0.246 387 V C 2.141 178.148 176.094 -0.145 0.000 1.049 387 V CA 2.210 64.532 62.300 0.037 0.000 1.024 387 V CB -0.852 31.011 31.823 0.067 0.000 0.648 387 V HN 0.368 nan 8.190 nan 0.000 0.447 388 N N 0.970 119.558 118.700 -0.188 0.000 2.106 388 N HA -0.089 4.649 4.740 -0.003 0.000 0.188 388 N C 1.876 177.142 175.510 -0.406 0.000 1.029 388 N CA 1.642 54.550 53.050 -0.236 0.000 0.848 388 N CB -0.756 37.626 38.487 -0.175 0.000 1.007 388 N HN 0.511 nan 8.380 nan 0.000 0.423 389 G N -0.127 108.233 108.800 -0.733 0.000 2.559 389 G HA2 -0.092 3.866 3.960 -0.003 0.000 0.216 389 G HA3 -0.092 3.866 3.960 -0.003 0.000 0.216 389 G C 1.204 175.650 174.900 -0.756 0.000 1.126 389 G CA 0.159 44.630 45.100 -1.049 0.000 0.778 389 G HN 0.245 nan 8.290 nan 0.000 0.543 390 V N 0.596 120.169 119.914 -0.568 0.000 3.596 390 V HA 0.572 4.691 4.120 -0.003 0.000 0.289 390 V C 1.568 177.549 176.094 -0.188 0.000 1.336 390 V CA 0.237 62.358 62.300 -0.298 0.000 1.137 390 V CB -0.487 31.090 31.823 -0.409 0.000 0.966 390 V HN 0.452 nan 8.190 nan 0.000 0.428 391 A N 0.014 122.719 122.820 -0.192 0.000 2.406 391 A HA 0.430 4.749 4.320 -0.003 0.000 0.243 391 A C 0.621 178.137 177.584 -0.114 0.000 1.082 391 A CA 0.452 52.410 52.037 -0.132 0.000 0.786 391 A CB 0.169 19.093 19.000 -0.127 0.000 1.029 391 A HN 0.313 nan 8.150 nan 0.000 0.495 392 T N -0.425 114.077 114.554 -0.086 0.000 2.899 392 T HA 0.388 4.736 4.350 -0.003 0.000 0.295 392 T C 1.134 175.791 174.700 -0.071 0.000 1.033 392 T CA 0.551 62.609 62.100 -0.070 0.000 1.084 392 T CB 0.937 69.779 68.868 -0.042 0.000 0.979 392 T HN 0.748 nan 8.240 nan 0.000 0.532 393 S N 2.243 117.912 115.700 -0.052 0.000 2.769 393 S HA 0.263 4.732 4.470 -0.003 0.000 0.258 393 S C -0.034 174.549 174.600 -0.027 0.000 1.080 393 S CA -0.568 57.602 58.200 -0.049 0.000 0.943 393 S CB -0.020 63.154 63.200 -0.045 0.000 0.893 393 S HN 0.634 nan 8.310 nan 0.000 0.490 394 F N 4.187 124.081 119.950 -0.094 0.000 2.427 394 F HA 0.591 5.117 4.527 -0.003 0.000 0.352 394 F C 0.007 175.713 175.800 -0.157 0.000 1.100 394 F CA -0.084 57.860 58.000 -0.093 0.000 1.191 394 F CB 1.016 40.038 39.000 0.037 0.000 1.128 394 F HN 0.149 nan 8.300 nan 0.000 0.533 395 S N 5.635 120.711 115.700 -1.041 0.000 2.549 395 S HA 0.485 4.953 4.470 -0.003 0.000 0.280 395 S C 0.453 174.221 174.600 -1.386 0.000 1.109 395 S CA -1.041 56.584 58.200 -0.957 0.000 0.905 395 S CB 2.116 64.996 63.200 -0.535 0.000 1.081 395 S HN 0.819 nan 8.310 nan 0.000 0.477 396 R N 1.119 121.016 120.500 -1.004 0.000 2.120 396 R HA 0.028 4.367 4.340 -0.003 0.000 0.234 396 R C 1.572 177.497 176.300 -0.624 0.000 1.123 396 R CA 1.198 56.764 56.100 -0.890 0.000 0.975 396 R CB -0.254 29.814 30.300 -0.387 0.000 0.866 396 R HN 0.631 nan 8.270 nan 0.000 0.446 397 K N 0.673 120.761 120.400 -0.519 0.000 2.439 397 K HA -0.073 4.245 4.320 -0.003 0.000 0.197 397 K C 1.277 177.631 176.600 -0.411 0.000 1.041 397 K CA 0.837 56.836 56.287 -0.479 0.000 0.970 397 K CB 0.158 32.261 32.500 -0.662 0.000 0.773 397 K HN 0.131 nan 8.250 nan 0.000 0.479 398 K N 0.406 120.513 120.400 -0.488 0.000 2.404 398 K HA 0.138 4.456 4.320 -0.003 0.000 0.194 398 K C 0.176 176.577 176.600 -0.331 0.000 1.023 398 K CA -0.306 55.717 56.287 -0.441 0.000 1.094 398 K CB 0.765 32.826 32.500 -0.732 0.000 0.841 398 K HN 0.017 nan 8.250 nan 0.000 0.523 399 A N 1.490 124.128 122.820 -0.304 0.000 2.388 399 A HA 0.365 4.683 4.320 -0.003 0.000 0.257 399 A C -0.309 177.261 177.584 -0.023 0.000 1.095 399 A CA -0.134 51.815 52.037 -0.147 0.000 0.791 399 A CB 0.359 19.239 19.000 -0.199 0.000 1.029 399 A HN 0.089 nan 8.150 nan 0.000 0.489 400 R N 0.713 121.220 120.500 0.011 0.000 2.480 400 R HA 0.563 4.901 4.340 -0.003 0.000 0.306 400 R C -0.223 175.883 176.300 -0.323 0.000 0.958 400 R CA -0.070 55.937 56.100 -0.154 0.000 0.861 400 R CB 1.666 31.893 30.300 -0.122 0.000 1.171 400 R HN 0.853 nan 8.270 nan 0.000 0.445 401 T N 0.203 114.511 114.554 -0.410 0.000 2.823 401 T HA 0.675 5.024 4.350 -0.003 0.000 0.279 401 T C -0.627 173.727 174.700 -0.577 0.000 0.998 401 T CA -0.539 61.356 62.100 -0.342 0.000 0.994 401 T CB 0.533 69.319 68.868 -0.137 0.000 0.960 401 T HN 0.247 nan 8.240 nan 0.000 0.448 402 F N 2.527 122.354 119.950 -0.206 0.000 2.426 402 F HA 0.484 5.010 4.527 -0.003 0.000 0.348 402 F C 0.784 176.253 175.800 -0.551 0.000 1.124 402 F CA -0.880 56.867 58.000 -0.422 0.000 1.008 402 F CB 1.917 40.483 39.000 -0.724 0.000 1.139 402 F HN 0.608 nan 8.300 nan 0.000 0.452 403 D N 0.174 120.540 120.400 -0.056 0.000 2.766 403 D HA -0.026 4.612 4.640 -0.003 0.000 0.284 403 D C 1.127 177.589 176.300 0.271 0.000 1.050 403 D CA 0.740 54.810 54.000 0.118 0.000 0.945 403 D CB 0.246 41.122 40.800 0.125 0.000 1.272 403 D HN 0.345 nan 8.370 nan 0.000 0.482 404 S N 1.108 116.870 115.700 0.102 0.000 3.864 404 S HA 0.064 4.532 4.470 -0.003 0.000 0.202 404 S C 1.406 175.629 174.600 -0.628 0.000 1.402 404 S CA 0.084 57.945 58.200 -0.566 0.000 1.072 404 S CB -0.403 62.108 63.200 -1.148 0.000 1.383 404 S HN 0.112 nan 8.310 nan 0.000 0.458 405 S N 1.975 117.667 115.700 -0.014 0.000 2.399 405 S HA -0.163 4.306 4.470 -0.003 0.000 0.231 405 S C 1.810 176.333 174.600 -0.128 0.000 1.022 405 S CA 0.569 58.767 58.200 -0.004 0.000 0.983 405 S CB -1.037 62.208 63.200 0.076 0.000 0.803 405 S HN 0.972 nan 8.310 nan 0.000 0.480 406 W N 2.378 123.636 121.300 -0.069 0.000 2.341 406 W HA -0.083 4.575 4.660 -0.003 0.000 0.283 406 W C 1.765 178.175 176.519 -0.182 0.000 1.215 406 W CA 1.019 58.300 57.345 -0.107 0.000 1.211 406 W CB -0.997 28.406 29.460 -0.095 0.000 1.131 406 W HN 0.470 nan 8.180 nan 0.000 0.552 407 N N 0.085 118.329 118.700 -0.760 0.000 2.439 407 N HA -0.070 4.668 4.740 -0.003 0.000 0.176 407 N C 1.553 176.754 175.510 -0.515 0.000 1.029 407 N CA 0.537 53.111 53.050 -0.792 0.000 0.886 407 N CB -0.784 36.710 38.487 -1.655 0.000 1.057 407 N HN 0.192 nan 8.380 nan 0.000 0.437 408 W N 1.646 122.766 121.300 -0.301 0.000 2.465 408 W HA 0.107 4.765 4.660 -0.003 0.000 0.268 408 W C 2.450 178.863 176.519 -0.178 0.000 1.242 408 W CA 0.327 57.544 57.345 -0.213 0.000 1.248 408 W CB 0.048 29.382 29.460 -0.209 0.000 1.118 408 W HN 0.130 nan 8.180 nan 0.000 0.587 409 A N 1.296 124.117 122.820 0.000 0.000 1.873 409 A HA -0.188 4.130 4.320 -0.003 0.000 0.215 409 A C 1.887 179.422 177.584 -0.081 0.000 1.186 409 A CA 1.612 53.635 52.037 -0.024 0.000 0.616 409 A CB -0.632 18.358 19.000 -0.018 0.000 0.823 409 A HN 0.251 nan 8.150 nan 0.000 0.442 410 K N -0.535 119.723 120.400 -0.236 0.000 2.103 410 K HA -0.231 4.088 4.320 -0.003 0.000 0.207 410 K C 2.380 178.843 176.600 -0.228 0.000 1.048 410 K CA 1.702 57.645 56.287 -0.573 0.000 0.930 410 K CB -0.170 31.717 32.500 -1.023 0.000 0.716 410 K HN 0.706 nan 8.250 nan 0.000 0.444 411 Q N 0.560 120.316 119.800 -0.072 0.000 2.046 411 Q HA -0.134 4.204 4.340 -0.003 0.000 0.200 411 Q C 2.185 178.234 176.000 0.082 0.000 0.975 411 Q CA 1.474 57.318 55.803 0.069 0.000 0.836 411 Q CB -0.008 28.829 28.738 0.165 0.000 0.896 411 Q HN 0.136 nan 8.270 nan 0.000 0.428 412 S N 0.466 116.198 115.700 0.053 0.000 2.374 412 S HA -0.183 4.285 4.470 -0.003 0.000 0.227 412 S C 1.799 176.430 174.600 0.052 0.000 1.037 412 S CA 1.480 59.694 58.200 0.024 0.000 1.024 412 S CB -0.293 62.900 63.200 -0.011 0.000 0.861 412 S HN 0.491 nan 8.310 nan 0.000 0.456 413 L N 0.434 121.707 121.223 0.083 0.000 2.131 413 L HA 0.196 4.535 4.340 -0.003 0.000 0.206 413 L C 1.827 178.774 176.870 0.129 0.000 1.087 413 L CA 1.046 55.959 54.840 0.120 0.000 0.767 413 L CB -0.213 41.952 42.059 0.177 0.000 0.917 413 L HN 0.284 nan 8.230 nan 0.000 0.441 414 L N -1.184 120.137 121.223 0.163 0.000 2.622 414 L HA -0.009 4.330 4.340 -0.003 0.000 0.233 414 L C 1.903 178.888 176.870 0.193 0.000 1.156 414 L CA 1.045 55.924 54.840 0.066 0.000 0.866 414 L CB -0.240 41.928 42.059 0.182 0.000 0.980 414 L HN 0.307 nan 8.230 nan 0.000 0.448 415 S N -1.944 113.867 115.700 0.184 0.000 2.691 415 S HA 0.129 4.597 4.470 -0.003 0.000 0.241 415 S C 1.628 176.324 174.600 0.160 0.000 1.077 415 S CA -0.055 58.272 58.200 0.210 0.000 0.900 415 S CB -0.125 63.153 63.200 0.131 0.000 0.805 415 S HN 0.407 nan 8.310 nan 0.000 0.529 416 L N 0.838 122.122 121.223 0.101 0.000 2.081 416 L HA -0.167 4.172 4.340 -0.003 0.000 0.212 416 L C 2.145 179.040 176.870 0.043 0.000 1.080 416 L CA 2.032 56.907 54.840 0.059 0.000 0.754 416 L CB -0.402 41.684 42.059 0.046 0.000 0.893 416 L HN 0.550 nan 8.230 nan 0.000 0.433 417 Y N -0.244 119.993 120.300 -0.106 0.000 2.153 417 Y HA -0.256 4.292 4.550 -0.003 0.000 0.289 417 Y C 2.100 177.815 175.900 -0.308 0.000 1.127 417 Y CA 1.783 59.731 58.100 -0.252 0.000 1.131 417 Y CB -0.533 37.691 38.460 -0.394 0.000 0.995 417 Y HN 0.074 nan 8.280 nan 0.000 0.505 418 F N 0.692 120.729 119.950 0.145 0.000 2.365 418 F HA -0.050 4.475 4.527 -0.003 0.000 0.300 418 F C 2.371 178.090 175.800 -0.134 0.000 1.090 418 F CA 1.489 59.455 58.000 -0.057 0.000 1.408 418 F CB -0.445 38.604 39.000 0.082 0.000 1.060 418 F HN 0.181 nan 8.300 nan 0.000 0.534 419 E N 0.188 120.454 120.200 0.110 0.000 2.170 419 E HA -0.076 4.272 4.350 -0.003 0.000 0.191 419 E C 2.285 178.886 176.600 0.002 0.000 0.981 419 E CA 0.568 57.029 56.400 0.102 0.000 0.830 419 E CB -0.023 29.731 29.700 0.090 0.000 0.775 419 E HN 0.351 nan 8.360 nan 0.000 0.470 420 I N 0.670 121.178 120.570 -0.104 0.000 2.286 420 I HA -0.215 3.953 4.170 -0.003 0.000 0.245 420 I C 2.170 178.139 176.117 -0.247 0.000 1.104 420 I CA 0.707 61.910 61.300 -0.161 0.000 1.397 420 I CB -0.073 37.802 38.000 -0.208 0.000 1.072 420 I HN 0.173 nan 8.210 nan 0.000 0.417 421 I N 0.264 120.588 120.570 -0.410 0.000 2.226 421 I HA -0.329 3.839 4.170 -0.003 0.000 0.245 421 I C 1.969 177.890 176.117 -0.327 0.000 1.100 421 I CA 1.763 62.715 61.300 -0.580 0.000 1.374 421 I CB -0.489 37.036 38.000 -0.791 0.000 1.057 421 I HN 0.316 nan 8.210 nan 0.000 0.413 422 H N 0.045 119.064 119.070 -0.085 0.000 2.539 422 H HA 0.125 4.679 4.556 -0.003 0.000 0.267 422 H C 1.439 176.754 175.328 -0.023 0.000 0.982 422 H CA 0.320 56.358 56.048 -0.016 0.000 1.146 422 H CB 0.197 29.984 29.762 0.041 0.000 1.382 422 H HN 0.464 nan 8.280 nan 0.000 0.577 423 G N 0.784 109.611 108.800 0.045 0.000 2.198 423 G HA2 -0.303 3.655 3.960 -0.003 0.000 0.260 423 G HA3 -0.303 3.655 3.960 -0.003 0.000 0.260 423 G C 0.948 175.868 174.900 0.033 0.000 1.025 423 G CA 0.583 45.694 45.100 0.018 0.000 0.769 423 G HN 0.326 nan 8.290 nan 0.000 0.507 424 V N -0.376 119.569 119.914 0.051 0.000 2.407 424 V HA 0.150 4.268 4.120 -0.003 0.000 0.245 424 V C 1.698 177.804 176.094 0.020 0.000 1.041 424 V CA 1.663 63.987 62.300 0.041 0.000 1.040 424 V CB -0.159 31.699 31.823 0.059 0.000 0.671 424 V HN 0.432 nan 8.190 nan 0.000 0.455 425 L N 1.221 122.450 121.223 0.011 0.000 2.264 425 L HA 0.399 4.737 4.340 -0.003 0.000 0.289 425 L C -0.153 176.707 176.870 -0.018 0.000 1.044 425 L CA -0.125 54.713 54.840 -0.004 0.000 0.807 425 L CB 0.972 43.026 42.059 -0.008 0.000 1.192 425 L HN 0.119 nan 8.230 nan 0.000 0.425 426 K N 1.413 121.804 120.400 -0.014 0.000 2.168 426 K HA 0.200 4.519 4.320 -0.003 0.000 0.239 426 K C 0.693 177.281 176.600 -0.020 0.000 0.999 426 K CA -0.711 55.564 56.287 -0.019 0.000 0.900 426 K CB 0.988 33.482 32.500 -0.011 0.000 1.111 426 K HN 0.422 nan 8.250 nan 0.000 0.452 427 N N 1.169 119.856 118.700 -0.022 0.000 2.551 427 N HA -0.070 4.668 4.740 -0.003 0.000 0.199 427 N C 0.149 175.652 175.510 -0.013 0.000 1.277 427 N CA 0.289 53.327 53.050 -0.020 0.000 0.870 427 N CB 0.226 38.700 38.487 -0.021 0.000 1.028 427 N HN 0.298 nan 8.380 nan 0.000 0.452 428 V N -1.249 118.659 119.914 -0.010 0.000 3.151 428 V HA 0.077 4.195 4.120 -0.003 0.000 0.241 428 V C 0.285 176.375 176.094 -0.006 0.000 1.173 428 V CA -0.063 62.232 62.300 -0.007 0.000 1.154 428 V CB -0.216 31.603 31.823 -0.006 0.000 0.898 428 V HN 0.114 nan 8.190 nan 0.000 0.473 429 D N 1.725 122.121 120.400 -0.006 0.000 2.533 429 D HA 0.024 4.662 4.640 -0.003 0.000 0.236 429 D C 1.135 177.433 176.300 -0.004 0.000 1.137 429 D CA 0.343 54.340 54.000 -0.005 0.000 0.867 429 D CB 0.769 41.566 40.800 -0.004 0.000 1.170 429 D HN 0.198 nan 8.370 nan 0.000 0.474 430 R N 1.670 122.169 120.500 -0.003 0.000 2.189 430 R HA -0.101 4.238 4.340 -0.003 0.000 0.223 430 R C 1.542 177.843 176.300 0.002 0.000 1.092 430 R CA 0.417 56.516 56.100 -0.002 0.000 0.989 430 R CB 0.183 30.480 30.300 -0.004 0.000 0.876 430 R HN 0.461 nan 8.270 nan 0.000 0.457 431 E N 0.642 120.844 120.200 0.003 0.000 2.118 431 E HA -0.164 4.185 4.350 -0.003 0.000 0.195 431 E C 1.980 178.581 176.600 0.001 0.000 0.992 431 E CA 1.213 57.615 56.400 0.005 0.000 0.804 431 E CB -0.210 29.492 29.700 0.003 0.000 0.741 431 E HN 0.171 nan 8.360 nan 0.000 0.458 432 V N 0.170 120.083 119.914 -0.002 0.000 2.490 432 V HA -0.195 3.923 4.120 -0.003 0.000 0.250 432 V C 2.201 178.296 176.094 0.001 0.000 1.061 432 V CA 1.631 63.929 62.300 -0.004 0.000 1.064 432 V CB -0.206 31.611 31.823 -0.010 0.000 0.670 432 V HN 0.059 nan 8.190 nan 0.000 0.461 433 V N 0.705 120.620 119.914 0.002 0.000 2.307 433 V HA -0.175 3.943 4.120 -0.003 0.000 0.245 433 V C 2.772 178.873 176.094 0.011 0.000 1.045 433 V CA 2.246 64.549 62.300 0.006 0.000 1.024 433 V CB -1.010 30.815 31.823 0.003 0.000 0.651 433 V HN 0.636 nan 8.190 nan 0.000 0.449 434 S N -0.037 115.672 115.700 0.015 0.000 2.368 434 S HA -0.292 4.177 4.470 -0.003 0.000 0.226 434 S C 2.033 176.647 174.600 0.022 0.000 1.044 434 S CA 1.958 60.177 58.200 0.032 0.000 1.062 434 S CB -0.390 62.836 63.200 0.043 0.000 0.931 434 S HN 0.563 nan 8.310 nan 0.000 0.440 435 E N 1.171 121.372 120.200 0.003 0.000 2.208 435 E HA 0.117 4.466 4.350 -0.003 0.000 0.193 435 E C 2.050 178.651 176.600 0.000 0.000 0.988 435 E CA 0.863 57.254 56.400 -0.014 0.000 0.828 435 E CB -0.522 29.167 29.700 -0.018 0.000 0.763 435 E HN 0.436 nan 8.360 nan 0.000 0.478 436 A N 0.634 123.459 122.820 0.010 0.000 1.877 436 A HA -0.173 4.145 4.320 -0.003 0.000 0.216 436 A C 2.266 179.862 177.584 0.019 0.000 1.186 436 A CA 1.443 53.489 52.037 0.016 0.000 0.620 436 A CB -0.709 18.299 19.000 0.014 0.000 0.822 436 A HN 0.297 nan 8.150 nan 0.000 0.443 437 I N -0.208 120.375 120.570 0.022 0.000 2.264 437 I HA -0.312 3.856 4.170 -0.003 0.000 0.248 437 I C 2.132 178.270 176.117 0.035 0.000 1.111 437 I CA 1.875 63.193 61.300 0.029 0.000 1.382 437 I CB -0.620 37.402 38.000 0.037 0.000 1.060 437 I HN 0.445 nan 8.210 nan 0.000 0.418 438 N N 0.624 119.340 118.700 0.026 0.000 2.300 438 N HA -0.011 4.728 4.740 -0.003 0.000 0.179 438 N C 1.907 177.418 175.510 0.001 0.000 1.016 438 N CA 0.705 53.761 53.050 0.010 0.000 0.876 438 N CB 0.134 38.593 38.487 -0.047 0.000 0.979 438 N HN 0.278 nan 8.380 nan 0.000 0.432 439 I N 0.707 121.282 120.570 0.007 0.000 2.286 439 I HA -0.198 3.970 4.170 -0.003 0.000 0.245 439 I C 1.955 178.089 176.117 0.028 0.000 1.104 439 I CA 0.978 62.290 61.300 0.020 0.000 1.397 439 I CB -0.212 37.807 38.000 0.032 0.000 1.072 439 I HN 0.190 nan 8.210 nan 0.000 0.417 440 M N 0.237 119.854 119.600 0.028 0.000 2.213 440 M HA -0.161 4.318 4.480 -0.003 0.000 0.263 440 M C 1.438 177.755 176.300 0.029 0.000 1.062 440 M CA 1.354 56.672 55.300 0.029 0.000 1.105 440 M CB -0.754 31.862 32.600 0.026 0.000 1.385 440 M HN 0.212 nan 8.290 nan 0.000 0.417 441 N N 1.131 119.849 118.700 0.029 0.000 2.609 441 N HA -0.041 4.698 4.740 -0.003 0.000 0.190 441 N C 0.259 175.787 175.510 0.030 0.000 1.157 441 N CA 0.760 53.829 53.050 0.031 0.000 0.918 441 N CB 0.058 38.569 38.487 0.040 0.000 0.978 441 N HN 0.412 nan 8.380 nan 0.000 0.448 442 R N -0.698 119.820 120.500 0.030 0.000 2.661 442 R HA 0.224 4.562 4.340 -0.003 0.000 0.429 442 R C -0.482 175.844 176.300 0.043 0.000 1.044 442 R CA -0.203 55.920 56.100 0.037 0.000 1.065 442 R CB 0.558 30.874 30.300 0.027 0.000 1.377 442 R HN -0.129 nan 8.270 nan 0.000 0.600 443 S N 1.907 117.631 115.700 0.040 0.000 2.515 443 S HA 0.118 4.587 4.470 -0.003 0.000 0.285 443 S C 0.103 174.728 174.600 0.042 0.000 1.265 443 S CA 0.181 58.406 58.200 0.042 0.000 1.079 443 S CB 0.094 63.316 63.200 0.035 0.000 0.877 443 S HN 0.248 nan 8.310 nan 0.000 0.493 444 N N 2.327 121.054 118.700 0.045 0.000 2.402 444 N HA 0.258 4.997 4.740 -0.003 0.000 0.294 444 N C 0.066 175.596 175.510 0.033 0.000 1.203 444 N CA -0.729 52.343 53.050 0.037 0.000 0.838 444 N CB 1.134 39.645 38.487 0.040 0.000 1.306 444 N HN 0.379 nan 8.380 nan 0.000 0.510 445 D N 0.380 120.792 120.400 0.020 0.000 2.309 445 D HA -0.025 4.613 4.640 -0.003 0.000 0.212 445 D C 1.298 177.614 176.300 0.026 0.000 0.968 445 D CA 0.872 54.884 54.000 0.019 0.000 0.882 445 D CB 0.215 41.019 40.800 0.006 0.000 0.918 445 D HN 0.579 nan 8.370 nan 0.000 0.503 446 A N -0.047 122.789 122.820 0.025 0.000 1.956 446 A HA 0.101 4.420 4.320 -0.003 0.000 0.212 446 A C 1.906 179.535 177.584 0.075 0.000 1.188 446 A CA 0.028 52.083 52.037 0.030 0.000 0.675 446 A CB -0.412 18.588 19.000 -0.000 0.000 0.845 446 A HN 0.225 nan 8.150 nan 0.000 0.455 447 L N 0.015 121.281 121.223 0.072 0.000 2.201 447 L HA -0.106 4.233 4.340 -0.003 0.000 0.212 447 L C 2.153 179.125 176.870 0.170 0.000 1.105 447 L CA 1.311 56.214 54.840 0.104 0.000 0.775 447 L CB -0.322 41.780 42.059 0.071 0.000 0.913 447 L HN 0.422 nan 8.230 nan 0.000 0.440 448 I N -0.129 120.512 120.570 0.118 0.000 2.163 448 I HA -0.319 3.850 4.170 -0.003 0.000 0.240 448 I C 2.331 178.524 176.117 0.127 0.000 1.081 448 I CA 1.179 62.544 61.300 0.108 0.000 1.353 448 I CB -0.240 37.801 38.000 0.068 0.000 1.054 448 I HN 0.150 nan 8.210 nan 0.000 0.407 449 K N 0.173 120.642 120.400 0.116 0.000 2.281 449 K HA -0.206 4.113 4.320 -0.003 0.000 0.203 449 K C 1.901 178.607 176.600 0.177 0.000 1.046 449 K CA 1.356 57.710 56.287 0.111 0.000 0.938 449 K CB -0.183 32.356 32.500 0.065 0.000 0.737 449 K HN 0.151 nan 8.250 nan 0.000 0.458 450 F N 1.143 121.133 119.950 0.067 0.000 2.053 450 F HA -0.145 4.381 4.527 -0.003 0.000 0.292 450 F C 1.939 177.856 175.800 0.195 0.000 1.125 450 F CA 1.541 59.618 58.000 0.128 0.000 1.193 450 F CB -0.152 38.899 39.000 0.085 0.000 0.996 450 F HN -0.117 nan 8.300 nan 0.000 0.470 451 M N -0.164 119.554 119.600 0.197 0.000 2.159 451 M HA -0.200 4.279 4.480 -0.003 0.000 0.263 451 M C 2.045 178.369 176.300 0.041 0.000 1.063 451 M CA 1.755 57.099 55.300 0.072 0.000 1.110 451 M CB -0.752 31.919 32.600 0.118 0.000 1.374 451 M HN 0.212 nan 8.290 nan 0.000 0.411 452 E N -0.069 120.172 120.200 0.068 0.000 2.038 452 E HA -0.244 4.104 4.350 -0.003 0.000 0.195 452 E C 1.912 178.515 176.600 0.005 0.000 1.000 452 E CA 1.733 58.157 56.400 0.039 0.000 0.803 452 E CB -0.271 29.460 29.700 0.052 0.000 0.750 452 E HN 0.543 nan 8.360 nan 0.000 0.448 453 Y N 0.804 121.038 120.300 -0.109 0.000 2.114 453 Y HA -0.263 4.285 4.550 -0.003 0.000 0.284 453 Y C 2.311 178.048 175.900 -0.271 0.000 1.143 453 Y CA 1.882 59.861 58.100 -0.202 0.000 1.135 453 Y CB -0.129 38.159 38.460 -0.287 0.000 0.980 453 Y HN 0.146 nan 8.280 nan 0.000 0.499 454 H N -0.790 118.192 119.070 -0.146 0.000 2.428 454 H HA -0.098 4.457 4.556 -0.003 0.000 0.296 454 H C 2.144 177.336 175.328 -0.227 0.000 1.062 454 H CA 1.549 57.414 56.048 -0.304 0.000 1.350 454 H CB 0.264 29.658 29.762 -0.613 0.000 1.403 454 H HN 0.349 nan 8.280 nan 0.000 0.533 455 I N 0.727 121.284 120.570 -0.022 0.000 2.277 455 I HA -0.172 3.996 4.170 -0.003 0.000 0.243 455 I C 2.618 178.723 176.117 -0.020 0.000 1.094 455 I CA 1.008 62.336 61.300 0.047 0.000 1.393 455 I CB -1.108 36.921 38.000 0.049 0.000 1.078 455 I HN 0.166 nan 8.210 nan 0.000 0.417 456 S N 0.140 115.786 115.700 -0.090 0.000 2.507 456 S HA -0.084 4.385 4.470 -0.003 0.000 0.235 456 S C 1.405 175.905 174.600 -0.167 0.000 0.988 456 S CA 0.828 58.962 58.200 -0.111 0.000 0.944 456 S CB -0.551 62.579 63.200 -0.117 0.000 0.762 456 S HN 0.457 nan 8.310 nan 0.000 0.526 457 N N 1.937 120.486 118.700 -0.251 0.000 2.235 457 N HA 0.068 4.806 4.740 -0.003 0.000 0.209 457 N C -0.186 175.265 175.510 -0.098 0.000 1.122 457 N CA 0.428 53.312 53.050 -0.277 0.000 0.845 457 N CB 0.741 38.866 38.487 -0.603 0.000 1.004 457 N HN 0.663 nan 8.380 nan 0.000 0.499 458 T N -1.504 113.049 114.554 -0.002 0.000 2.845 458 T HA 0.143 4.492 4.350 -0.003 0.000 0.288 458 T C -0.171 174.553 174.700 0.041 0.000 0.980 458 T CA -0.664 61.495 62.100 0.100 0.000 1.071 458 T CB 1.959 70.938 68.868 0.184 0.000 0.941 458 T HN -0.172 nan 8.240 nan 0.000 0.487 459 D N 2.454 122.858 120.400 0.008 0.000 2.435 459 D HA 0.154 4.792 4.640 -0.003 0.000 0.230 459 D C 1.150 177.422 176.300 -0.046 0.000 1.215 459 D CA -0.478 53.488 54.000 -0.058 0.000 0.947 459 D CB 0.523 41.247 40.800 -0.127 0.000 1.048 459 D HN 0.720 nan 8.370 nan 0.000 0.512 460 E N 0.864 121.066 120.200 0.003 0.000 2.169 460 E HA -0.256 4.093 4.350 -0.003 0.000 0.202 460 E C 1.658 178.259 176.600 0.003 0.000 1.016 460 E CA 1.468 57.884 56.400 0.027 0.000 0.817 460 E CB -0.142 29.565 29.700 0.010 0.000 0.736 460 E HN 0.342 nan 8.360 nan 0.000 0.462 461 T N 0.375 114.905 114.554 -0.039 0.000 2.759 461 T HA -0.187 4.161 4.350 -0.003 0.000 0.269 461 T C 1.533 176.184 174.700 -0.081 0.000 1.042 461 T CA 1.406 63.475 62.100 -0.052 0.000 1.140 461 T CB -0.139 68.694 68.868 -0.059 0.000 0.864 461 T HN 0.129 nan 8.240 nan 0.000 0.455 462 K N 0.022 120.310 120.400 -0.188 0.000 2.218 462 K HA 0.012 4.330 4.320 -0.003 0.000 0.205 462 K C 1.061 177.575 176.600 -0.143 0.000 1.046 462 K CA 0.904 56.999 56.287 -0.319 0.000 0.933 462 K CB -0.066 31.913 32.500 -0.870 0.000 0.728 462 K HN 0.477 nan 8.250 nan 0.000 0.454 463 G N -0.766 108.050 108.800 0.028 0.000 2.328 463 G HA2 -0.017 3.941 3.960 -0.003 0.000 0.295 463 G HA3 -0.017 3.941 3.960 -0.003 0.000 0.295 463 G C -0.498 174.495 174.900 0.154 0.000 1.413 463 G CA -0.658 44.530 45.100 0.146 0.000 0.817 463 G HN -0.029 nan 8.290 nan 0.000 0.546 464 E N -0.657 119.603 120.200 0.100 0.000 2.106 464 E HA -0.122 4.226 4.350 -0.003 0.000 0.192 464 E C 2.000 178.623 176.600 0.039 0.000 0.984 464 E CA 1.218 57.652 56.400 0.056 0.000 0.806 464 E CB 0.047 29.766 29.700 0.033 0.000 0.750 464 E HN 0.379 nan 8.360 nan 0.000 0.458 465 N N -0.343 118.377 118.700 0.033 0.000 2.309 465 N HA -0.137 4.601 4.740 -0.003 0.000 0.182 465 N C 1.205 176.610 175.510 -0.174 0.000 1.018 465 N CA 0.895 53.893 53.050 -0.087 0.000 0.876 465 N CB -0.248 38.150 38.487 -0.147 0.000 0.972 465 N HN 0.275 nan 8.380 nan 0.000 0.434 466 Y N 0.531 120.783 120.300 -0.081 0.000 2.263 466 Y HA -0.098 4.450 4.550 -0.003 0.000 0.292 466 Y C 2.534 178.379 175.900 -0.093 0.000 1.130 466 Y CA 0.949 58.986 58.100 -0.105 0.000 1.179 466 Y CB -0.203 38.216 38.460 -0.068 0.000 0.998 466 Y HN 0.055 nan 8.280 nan 0.000 0.532 467 Q N 0.345 120.190 119.800 0.075 0.000 2.084 467 Q HA -0.188 4.151 4.340 -0.003 0.000 0.202 467 Q C 2.134 178.122 176.000 -0.020 0.000 0.978 467 Q CA 1.508 57.325 55.803 0.025 0.000 0.844 467 Q CB -0.579 28.171 28.738 0.020 0.000 0.898 467 Q HN 0.449 nan 8.270 nan 0.000 0.426 468 L N -0.514 120.681 121.223 -0.047 0.000 1.989 468 L HA -0.157 4.181 4.340 -0.003 0.000 0.211 468 L C 2.104 178.915 176.870 -0.099 0.000 1.071 468 L CA 1.802 56.601 54.840 -0.069 0.000 0.749 468 L CB -0.889 41.123 42.059 -0.080 0.000 0.890 468 L HN 0.216 nan 8.230 nan 0.000 0.431 469 V N -0.292 119.516 119.914 -0.176 0.000 2.287 469 V HA -0.341 3.778 4.120 -0.003 0.000 0.248 469 V C 2.604 178.632 176.094 -0.111 0.000 1.053 469 V CA 2.263 64.420 62.300 -0.237 0.000 1.027 469 V CB -1.018 30.489 31.823 -0.526 0.000 0.646 469 V HN 0.522 nan 8.190 nan 0.000 0.447 470 K N 0.235 120.596 120.400 -0.065 0.000 2.026 470 K HA -0.184 4.134 4.320 -0.003 0.000 0.208 470 K C 2.232 178.829 176.600 -0.005 0.000 1.048 470 K CA 2.128 58.411 56.287 -0.005 0.000 0.929 470 K CB -0.433 32.074 32.500 0.012 0.000 0.713 470 K HN 0.578 nan 8.250 nan 0.000 0.439 471 T N 1.978 116.523 114.554 -0.015 0.000 2.643 471 T HA -0.186 4.163 4.350 -0.003 0.000 0.264 471 T C 1.714 176.409 174.700 -0.008 0.000 1.045 471 T CA 1.417 63.511 62.100 -0.010 0.000 1.155 471 T CB -0.467 68.394 68.868 -0.012 0.000 0.863 471 T HN 0.198 nan 8.240 nan 0.000 0.420 472 L N 1.844 123.057 121.223 -0.018 0.000 2.021 472 L HA -0.062 4.276 4.340 -0.003 0.000 0.215 472 L C 2.549 179.421 176.870 0.004 0.000 1.074 472 L CA 2.372 57.204 54.840 -0.012 0.000 0.760 472 L CB -1.337 40.706 42.059 -0.027 0.000 0.889 472 L HN 0.325 nan 8.230 nan 0.000 0.433 473 G N -1.164 107.642 108.800 0.010 0.000 2.491 473 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.218 473 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.218 473 G C 1.437 176.356 174.900 0.032 0.000 1.180 473 G CA 0.968 46.091 45.100 0.039 0.000 0.774 473 G HN 0.586 nan 8.290 nan 0.000 0.562 474 E N -0.324 119.888 120.200 0.020 0.000 2.110 474 E HA -0.175 4.173 4.350 -0.003 0.000 0.193 474 E C 2.502 179.112 176.600 0.016 0.000 0.988 474 E CA 1.166 57.576 56.400 0.016 0.000 0.804 474 E CB -0.105 29.600 29.700 0.008 0.000 0.745 474 E HN 0.437 nan 8.360 nan 0.000 0.458 475 Q N 0.954 120.762 119.800 0.013 0.000 2.050 475 Q HA -0.173 4.166 4.340 -0.003 0.000 0.202 475 Q C 2.030 178.040 176.000 0.017 0.000 0.980 475 Q CA 1.148 56.958 55.803 0.012 0.000 0.840 475 Q CB -0.321 28.422 28.738 0.007 0.000 0.898 475 Q HN 0.216 nan 8.270 nan 0.000 0.424 476 L N 0.041 121.277 121.223 0.022 0.000 2.046 476 L HA -0.077 4.261 4.340 -0.003 0.000 0.208 476 L C 2.101 178.992 176.870 0.036 0.000 1.077 476 L CA 1.604 56.462 54.840 0.030 0.000 0.747 476 L CB -0.655 41.426 42.059 0.037 0.000 0.896 476 L HN 0.386 nan 8.230 nan 0.000 0.432 477 I N -0.868 119.724 120.570 0.038 0.000 2.208 477 I HA -0.280 3.889 4.170 -0.003 0.000 0.245 477 I C 2.439 178.575 176.117 0.031 0.000 1.097 477 I CA 1.257 62.581 61.300 0.040 0.000 1.363 477 I CB -0.385 37.638 38.000 0.037 0.000 1.051 477 I HN 0.302 nan 8.210 nan 0.000 0.413 478 E N 1.840 122.054 120.200 0.024 0.000 2.038 478 E HA -0.220 4.128 4.350 -0.003 0.000 0.195 478 E C 1.863 178.474 176.600 0.019 0.000 1.000 478 E CA 1.751 58.162 56.400 0.018 0.000 0.803 478 E CB -0.218 29.490 29.700 0.013 0.000 0.750 478 E HN 0.349 nan 8.360 nan 0.000 0.448 479 N N -0.218 118.494 118.700 0.020 0.000 2.104 479 N HA -0.165 4.573 4.740 -0.003 0.000 0.190 479 N C 1.976 177.499 175.510 0.022 0.000 1.024 479 N CA 1.533 54.595 53.050 0.019 0.000 0.853 479 N CB -0.971 37.528 38.487 0.019 0.000 1.008 479 N HN 0.271 nan 8.380 nan 0.000 0.424 480 C N 1.111 120.429 119.300 0.029 0.000 2.422 480 C HA -0.012 4.446 4.460 -0.003 0.000 0.279 480 C C 2.439 177.446 174.990 0.030 0.000 1.305 480 C CA 0.251 59.289 59.018 0.033 0.000 1.757 480 C CB -0.684 27.083 27.740 0.045 0.000 1.962 480 C HN 0.480 nan 8.230 nan 0.000 0.499 481 K N 0.411 120.827 120.400 0.027 0.000 2.097 481 K HA -0.187 4.131 4.320 -0.003 0.000 0.206 481 K C 2.176 178.787 176.600 0.018 0.000 1.049 481 K CA 1.444 57.745 56.287 0.023 0.000 0.933 481 K CB -0.180 32.332 32.500 0.020 0.000 0.717 481 K HN 0.659 nan 8.250 nan 0.000 0.442 482 Q N 0.076 119.886 119.800 0.016 0.000 2.096 482 Q HA -0.056 4.282 4.340 -0.003 0.000 0.197 482 Q C 1.931 177.939 176.000 0.013 0.000 0.964 482 Q CA 1.064 56.874 55.803 0.012 0.000 0.838 482 Q CB 0.109 28.853 28.738 0.010 0.000 0.906 482 Q HN 0.082 nan 8.270 nan 0.000 0.444 483 V N 1.334 121.257 119.914 0.016 0.000 3.380 483 V HA -0.032 4.086 4.120 -0.003 0.000 0.268 483 V C 1.193 177.297 176.094 0.017 0.000 1.168 483 V CA 0.336 62.645 62.300 0.015 0.000 1.156 483 V CB -0.579 31.255 31.823 0.018 0.000 0.785 483 V HN 0.304 nan 8.190 nan 0.000 0.487 484 L N 1.393 122.627 121.223 0.019 0.000 2.485 484 L HA 0.057 4.396 4.340 -0.003 0.000 0.275 484 L C 0.794 177.673 176.870 0.014 0.000 1.207 484 L CA 0.484 55.336 54.840 0.019 0.000 0.855 484 L CB 0.148 42.218 42.059 0.019 0.000 1.114 484 L HN 0.422 nan 8.230 nan 0.000 0.485 485 D N 1.787 122.195 120.400 0.014 0.000 3.041 485 D HA -0.157 4.482 4.640 -0.003 0.000 0.220 485 D C -0.764 175.542 176.300 0.009 0.000 1.157 485 D CA 0.563 54.569 54.000 0.011 0.000 0.876 485 D CB -1.220 39.586 40.800 0.009 0.000 1.107 485 D HN 0.151 nan 8.370 nan 0.000 0.422 486 V N 0.556 120.476 119.914 0.010 0.000 2.709 486 V HA 0.225 4.343 4.120 -0.003 0.000 0.308 486 V C 0.063 176.161 176.094 0.006 0.000 1.062 486 V CA -0.992 61.312 62.300 0.007 0.000 0.901 486 V CB 2.436 34.263 31.823 0.007 0.000 1.003 486 V HN -0.124 nan 8.190 nan 0.000 0.425 487 D N 5.094 125.494 120.400 0.000 0.000 2.472 487 D HA 0.202 4.841 4.640 -0.003 0.000 0.237 487 D C -2.293 174.004 176.300 -0.005 0.000 1.141 487 D CA -0.554 53.444 54.000 -0.004 0.000 0.875 487 D CB 0.919 41.710 40.800 -0.015 0.000 1.192 487 D HN 0.295 nan 8.370 nan 0.000 0.450 488 P HA 0.203 nan 4.420 nan 0.000 0.274 488 P C -0.665 176.631 177.300 -0.006 0.000 1.231 488 P CA -0.488 62.619 63.100 0.011 0.000 0.790 488 P CB 0.916 32.634 31.700 0.029 0.000 0.951 489 V N 2.662 122.581 119.914 0.008 0.000 2.841 489 V HA 0.361 4.479 4.120 -0.003 0.000 0.310 489 V C -1.553 174.573 176.094 0.053 0.000 1.090 489 V CA -0.941 61.349 62.300 -0.017 0.000 0.930 489 V CB 1.875 33.677 31.823 -0.035 0.000 1.014 489 V HN 0.436 nan 8.190 nan 0.000 0.425 490 Y N 6.099 126.346 120.300 -0.088 0.000 2.452 490 Y HA 0.594 5.143 4.550 -0.003 0.000 0.348 490 Y C -0.161 175.758 175.900 0.032 0.000 0.985 490 Y CA -0.310 57.795 58.100 0.007 0.000 1.214 490 Y CB 0.406 38.907 38.460 0.069 0.000 1.136 490 Y HN 0.589 nan 8.280 nan 0.000 0.523 491 K N 5.785 126.017 120.400 -0.280 0.000 2.640 491 K HA 0.197 4.515 4.320 -0.003 0.000 0.245 491 K C -1.874 174.593 176.600 -0.222 0.000 0.962 491 K CA -0.634 55.449 56.287 -0.341 0.000 0.896 491 K CB 0.811 33.227 32.500 -0.139 0.000 1.147 491 K HN 0.741 nan 8.250 nan 0.000 0.445 492 D N 3.072 123.297 120.400 -0.292 0.000 2.277 492 D HA 0.157 4.795 4.640 -0.003 0.000 0.249 492 D C 0.079 176.305 176.300 -0.124 0.000 1.134 492 D CA -0.224 53.710 54.000 -0.111 0.000 0.863 492 D CB 1.730 42.508 40.800 -0.037 0.000 1.143 492 D HN 0.209 nan 8.370 nan 0.000 0.458 493 V N 2.975 122.853 119.914 -0.062 0.000 3.604 493 V HA 0.331 4.450 4.120 -0.003 0.000 0.277 493 V C 0.819 176.885 176.094 -0.048 0.000 1.399 493 V CA 0.359 62.624 62.300 -0.058 0.000 1.034 493 V CB -0.141 31.666 31.823 -0.026 0.000 0.824 493 V HN 0.779 nan 8.190 nan 0.000 0.439 494 A N 0.974 123.773 122.820 -0.035 0.000 2.613 494 A HA 0.002 4.320 4.320 -0.003 0.000 0.230 494 A C 0.483 178.037 177.584 -0.049 0.000 1.051 494 A CA 0.595 52.616 52.037 -0.027 0.000 0.754 494 A CB -0.132 18.860 19.000 -0.014 0.000 0.979 494 A HN 0.406 nan 8.150 nan 0.000 0.510 495 K N 2.336 122.716 120.400 -0.034 0.000 2.383 495 K HA 0.271 4.590 4.320 -0.003 0.000 0.286 495 K C -2.446 174.128 176.600 -0.044 0.000 1.051 495 K CA -1.372 54.893 56.287 -0.037 0.000 0.974 495 K CB 0.223 32.709 32.500 -0.024 0.000 0.968 495 K HN 0.407 nan 8.250 nan 0.000 0.475 496 P HA 0.017 nan 4.420 nan 0.000 0.271 496 P C -0.809 176.473 177.300 -0.031 0.000 1.216 496 P CA -0.206 62.858 63.100 -0.059 0.000 0.771 496 P CB 1.109 32.775 31.700 -0.058 0.000 0.864 497 T N -0.152 114.389 114.554 -0.022 0.000 2.907 497 T HA 0.852 5.201 4.350 -0.003 0.000 0.290 497 T C -0.162 174.535 174.700 -0.005 0.000 1.066 497 T CA -0.814 61.277 62.100 -0.015 0.000 1.012 497 T CB 1.964 70.824 68.868 -0.012 0.000 1.184 497 T HN 0.392 nan 8.240 nan 0.000 0.522 498 G N 0.333 109.123 108.800 -0.017 0.000 2.725 498 G HA2 0.739 4.698 3.960 -0.003 0.000 0.288 498 G HA3 0.739 4.698 3.960 -0.003 0.000 0.288 498 G C -3.383 171.504 174.900 -0.023 0.000 1.399 498 G CA -1.746 43.345 45.100 -0.014 0.000 0.859 498 G HN 0.696 nan 8.290 nan 0.000 0.479 499 P HA 0.441 nan 4.420 nan 0.000 0.288 499 P C -1.094 176.172 177.300 -0.057 0.000 1.267 499 P CA -0.499 62.640 63.100 0.065 0.000 0.815 499 P CB 1.591 33.423 31.700 0.220 0.000 0.989 500 K N 1.374 121.621 120.400 -0.255 0.000 2.637 500 K HA 0.468 4.786 4.320 -0.003 0.000 0.248 500 K C -1.189 175.334 176.600 -0.127 0.000 0.971 500 K CA -0.272 55.917 56.287 -0.163 0.000 0.858 500 K CB 0.932 33.329 32.500 -0.170 0.000 1.170 500 K HN 0.298 nan 8.250 nan 0.000 0.443 501 T N 1.818 116.402 114.554 0.050 0.000 2.859 501 T HA 0.764 5.112 4.350 -0.003 0.000 0.281 501 T C -1.077 173.647 174.700 0.040 0.000 1.005 501 T CA -0.674 61.493 62.100 0.112 0.000 1.025 501 T CB 1.608 70.569 68.868 0.156 0.000 0.977 501 T HN 0.607 nan 8.240 nan 0.000 0.458 502 A N 3.005 125.848 122.820 0.037 0.000 2.437 502 A HA 0.716 5.035 4.320 -0.003 0.000 0.293 502 A C -0.763 176.834 177.584 0.021 0.000 1.038 502 A CA -0.783 51.264 52.037 0.017 0.000 0.708 502 A CB 0.826 19.825 19.000 -0.001 0.000 1.251 502 A HN 0.842 nan 8.150 nan 0.000 0.409 503 I N 2.253 122.832 120.570 0.015 0.000 2.315 503 I HA 0.198 4.366 4.170 -0.003 0.000 0.291 503 I C 0.337 176.458 176.117 0.007 0.000 1.006 503 I CA -0.720 60.588 61.300 0.013 0.000 1.265 503 I CB 1.040 39.046 38.000 0.010 0.000 1.387 503 I HN 0.659 nan 8.210 nan 0.000 0.475 504 D N 4.792 125.196 120.400 0.006 0.000 2.309 504 D HA -0.162 4.476 4.640 -0.003 0.000 0.232 504 D C 0.967 177.267 176.300 -0.000 0.000 1.319 504 D CA 0.684 54.685 54.000 0.002 0.000 0.884 504 D CB 0.779 41.581 40.800 0.003 0.000 1.237 504 D HN 0.548 nan 8.370 nan 0.000 0.507 505 K N 0.472 120.871 120.400 -0.003 0.000 2.459 505 K HA 0.047 4.366 4.320 -0.003 0.000 0.193 505 K C 0.687 177.283 176.600 -0.006 0.000 1.030 505 K CA 0.323 56.607 56.287 -0.005 0.000 1.026 505 K CB 0.115 32.611 32.500 -0.008 0.000 0.809 505 K HN 0.302 nan 8.250 nan 0.000 0.504 506 N N -0.125 118.572 118.700 -0.004 0.000 2.338 506 N HA 0.055 4.794 4.740 -0.003 0.000 0.251 506 N C -0.383 175.127 175.510 -0.001 0.000 1.199 506 N CA 0.324 53.372 53.050 -0.004 0.000 0.879 506 N CB 1.234 39.718 38.487 -0.006 0.000 1.159 506 N HN 0.293 nan 8.380 nan 0.000 0.514 507 G N 1.546 110.346 108.800 0.000 0.000 2.198 507 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.260 507 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.260 507 G C -0.374 174.529 174.900 0.005 0.000 1.025 507 G CA -0.210 44.892 45.100 0.002 0.000 0.769 507 G HN 0.336 nan 8.290 nan 0.000 0.507 508 N N 0.554 119.258 118.700 0.006 0.000 2.437 508 N HA 0.398 5.136 4.740 -0.003 0.000 0.243 508 N C 0.728 176.248 175.510 0.015 0.000 1.041 508 N CA -0.153 52.903 53.050 0.009 0.000 0.940 508 N CB 0.699 39.191 38.487 0.008 0.000 1.133 508 N HN 0.457 nan 8.380 nan 0.000 0.506 509 I N 0.810 121.392 120.570 0.019 0.000 2.396 509 I HA 0.184 4.353 4.170 -0.003 0.000 0.289 509 I C 0.593 176.738 176.117 0.046 0.000 1.056 509 I CA 0.018 61.336 61.300 0.030 0.000 1.365 509 I CB 0.486 38.501 38.000 0.026 0.000 1.407 509 I HN 0.072 nan 8.210 nan 0.000 0.509 510 T N 5.203 119.792 114.554 0.058 0.000 2.861 510 T HA 0.398 4.747 4.350 -0.003 0.000 0.287 510 T C -1.356 173.418 174.700 0.124 0.000 1.003 510 T CA -0.486 61.657 62.100 0.073 0.000 0.977 510 T CB 1.266 70.155 68.868 0.036 0.000 0.996 510 T HN 0.404 nan 8.240 nan 0.000 0.448 511 Y N 2.166 122.468 120.300 0.002 0.000 2.350 511 Y HA 0.662 5.211 4.550 -0.003 0.000 0.338 511 Y C -0.189 175.715 175.900 0.005 0.000 0.961 511 Y CA -0.486 57.618 58.100 0.005 0.000 1.100 511 Y CB 1.565 40.031 38.460 0.011 0.000 1.179 511 Y HN 0.594 nan 8.280 nan 0.000 0.454 512 S N 3.868 119.205 115.700 -0.605 0.000 2.638 512 S HA 0.487 4.955 4.470 -0.003 0.000 0.302 512 S C -1.448 172.714 174.600 -0.730 0.000 1.096 512 S CA -0.731 57.184 58.200 -0.476 0.000 0.953 512 S CB 1.439 64.492 63.200 -0.244 0.000 1.107 512 S HN 0.770 nan 8.310 nan 0.000 0.503 513 E N 1.610 121.594 120.200 -0.359 0.000 2.101 513 E HA 0.313 4.661 4.350 -0.003 0.000 0.260 513 E C -0.924 175.593 176.600 -0.139 0.000 0.897 513 E CA -0.488 55.769 56.400 -0.238 0.000 0.744 513 E CB 0.588 30.239 29.700 -0.081 0.000 1.140 513 E HN 0.455 nan 8.360 nan 0.000 0.419 514 E N 3.595 123.715 120.200 -0.133 0.000 2.283 514 E HA 0.331 4.679 4.350 -0.003 0.000 0.271 514 E C -2.335 174.231 176.600 -0.056 0.000 1.031 514 E CA -2.600 53.748 56.400 -0.086 0.000 0.868 514 E CB 0.734 30.383 29.700 -0.086 0.000 1.094 514 E HN 0.351 nan 8.360 nan 0.000 0.401 515 P HA 0.059 nan 4.420 nan 0.000 0.268 515 P C -0.279 177.005 177.300 -0.027 0.000 1.204 515 P CA 0.158 63.240 63.100 -0.030 0.000 0.768 515 P CB 0.466 32.150 31.700 -0.026 0.000 0.842 516 R N 2.683 123.171 120.500 -0.020 0.000 2.401 516 R HA 0.010 4.348 4.340 -0.003 0.000 0.299 516 R C 1.435 177.728 176.300 -0.011 0.000 1.064 516 R CA 0.060 56.151 56.100 -0.015 0.000 1.000 516 R CB 0.312 30.609 30.300 -0.004 0.000 0.973 516 R HN 0.619 nan 8.270 nan 0.000 0.438 517 E N 2.831 123.024 120.200 -0.012 0.000 2.070 517 E HA -0.229 4.120 4.350 -0.003 0.000 0.197 517 E C 0.742 177.339 176.600 -0.004 0.000 1.004 517 E CA 1.639 58.033 56.400 -0.009 0.000 0.805 517 E CB 0.248 29.942 29.700 -0.010 0.000 0.744 517 E HN 0.346 nan 8.360 nan 0.000 0.451 518 K N -0.403 119.997 120.400 0.000 0.000 2.397 518 K HA 0.182 4.500 4.320 -0.003 0.000 0.202 518 K C -1.197 175.410 176.600 0.011 0.000 1.022 518 K CA -0.240 56.051 56.287 0.006 0.000 1.141 518 K CB 1.137 33.641 32.500 0.007 0.000 0.857 518 K HN -0.077 nan 8.250 nan 0.000 0.514 519 V N 0.493 120.413 119.914 0.010 0.000 2.577 519 V HA 0.335 4.454 4.120 -0.003 0.000 0.303 519 V C 0.108 176.203 176.094 0.002 0.000 1.042 519 V CA -0.640 61.670 62.300 0.017 0.000 0.872 519 V CB 1.802 33.650 31.823 0.042 0.000 0.998 519 V HN 0.211 nan 8.190 nan 0.000 0.423 520 R N 2.111 122.608 120.500 -0.005 0.000 2.562 520 R HA 0.348 4.686 4.340 -0.003 0.000 0.191 520 R C 0.294 176.572 176.300 -0.038 0.000 0.835 520 R CA -0.380 55.709 56.100 -0.018 0.000 1.036 520 R CB 0.654 30.949 30.300 -0.009 0.000 1.437 520 R HN 0.349 nan 8.270 nan 0.000 0.654 521 K N 1.284 121.657 120.400 -0.045 0.000 2.123 521 K HA 0.260 4.578 4.320 -0.003 0.000 0.248 521 K C 0.858 177.378 176.600 -0.134 0.000 0.969 521 K CA -0.481 55.753 56.287 -0.089 0.000 0.882 521 K CB 1.589 34.040 32.500 -0.081 0.000 1.080 521 K HN -0.092 nan 8.250 nan 0.000 0.441 522 L N 1.267 122.349 121.223 -0.234 0.000 2.141 522 L HA -0.161 4.178 4.340 -0.003 0.000 0.209 522 L C 2.384 179.099 176.870 -0.257 0.000 1.094 522 L CA 1.462 56.086 54.840 -0.359 0.000 0.763 522 L CB -1.138 40.536 42.059 -0.642 0.000 0.908 522 L HN 0.751 nan 8.230 nan 0.000 0.437 523 S N -0.058 115.448 115.700 -0.323 0.000 2.369 523 S HA -0.312 4.157 4.470 -0.003 0.000 0.225 523 S C 1.873 176.378 174.600 -0.157 0.000 1.043 523 S CA 1.890 59.845 58.200 -0.408 0.000 1.074 523 S CB -0.131 62.690 63.200 -0.632 0.000 0.962 523 S HN 0.534 nan 8.310 nan 0.000 0.433 524 Q N -1.204 118.552 119.800 -0.073 0.000 2.226 524 Q HA -0.125 4.213 4.340 -0.003 0.000 0.204 524 Q C 1.913 177.934 176.000 0.035 0.000 0.975 524 Q CA 1.639 57.440 55.803 -0.004 0.000 0.866 524 Q CB -0.297 28.447 28.738 0.010 0.000 0.915 524 Q HN 0.893 nan 8.270 nan 0.000 0.440 525 Y N 0.101 120.350 120.300 -0.085 0.000 2.200 525 Y HA -0.187 4.361 4.550 -0.003 0.000 0.290 525 Y C 1.914 177.835 175.900 0.034 0.000 1.137 525 Y CA 1.012 59.089 58.100 -0.038 0.000 1.163 525 Y CB -0.097 38.301 38.460 -0.102 0.000 0.988 525 Y HN -0.171 nan 8.280 nan 0.000 0.518 526 V N 0.691 120.599 119.914 -0.010 0.000 2.427 526 V HA -0.313 3.805 4.120 -0.003 0.000 0.248 526 V C 2.337 178.401 176.094 -0.051 0.000 1.051 526 V CA 2.251 64.530 62.300 -0.034 0.000 1.048 526 V CB -0.703 31.161 31.823 0.068 0.000 0.666 526 V HN 0.427 nan 8.190 nan 0.000 0.456 527 Q N -0.192 119.593 119.800 -0.025 0.000 2.084 527 Q HA -0.255 4.084 4.340 -0.003 0.000 0.202 527 Q C 2.344 178.335 176.000 -0.014 0.000 0.978 527 Q CA 2.105 57.905 55.803 -0.004 0.000 0.844 527 Q CB -0.177 28.569 28.738 0.014 0.000 0.898 527 Q HN 0.757 nan 8.270 nan 0.000 0.426 528 E N -0.423 119.760 120.200 -0.028 0.000 2.085 528 E HA -0.276 4.073 4.350 -0.003 0.000 0.194 528 E C 1.759 178.387 176.600 0.047 0.000 0.994 528 E CA 1.438 57.839 56.400 0.003 0.000 0.801 528 E CB 0.006 29.703 29.700 -0.005 0.000 0.743 528 E HN 0.270 nan 8.360 nan 0.000 0.453 529 M N 0.559 120.146 119.600 -0.022 0.000 2.117 529 M HA -0.064 4.414 4.480 -0.003 0.000 0.262 529 M C 2.166 178.495 176.300 0.048 0.000 1.065 529 M CA 1.850 57.206 55.300 0.093 0.000 1.114 529 M CB -0.422 32.171 32.600 -0.011 0.000 1.361 529 M HN 0.276 nan 8.290 nan 0.000 0.408 530 A N -0.766 122.062 122.820 0.013 0.000 2.015 530 A HA -0.066 4.253 4.320 -0.003 0.000 0.219 530 A C 2.134 179.684 177.584 -0.056 0.000 1.163 530 A CA 1.151 53.194 52.037 0.010 0.000 0.646 530 A CB -0.875 18.143 19.000 0.029 0.000 0.806 530 A HN 0.481 nan 8.150 nan 0.000 0.448 531 L N -1.454 119.721 121.223 -0.080 0.000 2.240 531 L HA 0.133 4.471 4.340 -0.003 0.000 0.211 531 L C 1.752 178.466 176.870 -0.261 0.000 1.106 531 L CA 0.563 55.331 54.840 -0.120 0.000 0.793 531 L CB -1.234 40.784 42.059 -0.069 0.000 0.927 531 L HN 0.639 nan 8.230 nan 0.000 0.446 532 G N -0.398 108.121 108.800 -0.468 0.000 2.601 532 G HA2 -0.151 3.807 3.960 -0.003 0.000 0.252 532 G HA3 -0.151 3.807 3.960 -0.003 0.000 0.252 532 G C 0.038 174.525 174.900 -0.688 0.000 1.294 532 G CA -0.366 44.079 45.100 -1.092 0.000 0.912 532 G HN 0.563 nan 8.290 nan 0.000 0.574 533 G N -1.932 106.535 108.800 -0.556 0.000 3.015 533 G HA2 0.808 4.767 3.960 -0.003 0.000 0.281 533 G HA3 0.808 4.767 3.960 -0.003 0.000 0.281 533 G C -1.284 173.512 174.900 -0.172 0.000 1.386 533 G CA 0.283 45.305 45.100 -0.131 0.000 0.959 533 G HN 0.718 nan 8.290 nan 0.000 0.522 534 P HA -0.000 nan 4.420 nan 0.000 0.223 534 P C 1.567 178.772 177.300 -0.160 0.000 1.151 534 P CA 0.480 63.511 63.100 -0.115 0.000 0.787 534 P CB 0.552 32.211 31.700 -0.068 0.000 0.788 535 I N 0.227 120.700 120.570 -0.161 0.000 3.111 535 I HA -0.024 4.144 4.170 -0.003 0.000 0.272 535 I C 0.472 176.256 176.117 -0.555 0.000 1.268 535 I CA 0.791 61.960 61.300 -0.219 0.000 1.467 535 I CB 0.059 38.012 38.000 -0.079 0.000 1.087 535 I HN -0.054 nan 8.210 nan 0.000 0.467 536 T N -0.508 113.695 114.554 -0.585 0.000 3.016 536 T HA 0.246 4.594 4.350 -0.003 0.000 0.335 536 T C 0.419 174.837 174.700 -0.469 0.000 1.176 536 T CA -0.575 61.030 62.100 -0.825 0.000 0.987 536 T CB 0.772 69.236 68.868 -0.672 0.000 1.073 536 T HN 0.194 nan 8.240 nan 0.000 0.547 537 K N 2.531 122.703 120.400 -0.381 0.000 2.530 537 K HA 0.258 4.576 4.320 -0.003 0.000 0.218 537 K C 0.913 177.427 176.600 -0.143 0.000 1.064 537 K CA -0.223 55.941 56.287 -0.206 0.000 1.084 537 K CB 0.065 32.481 32.500 -0.140 0.000 1.392 537 K HN 0.654 nan 8.250 nan 0.000 0.465 538 E N 0.373 120.525 120.200 -0.080 0.000 2.589 538 E HA -0.118 4.230 4.350 -0.003 0.000 0.266 538 E C 0.717 177.295 176.600 -0.038 0.000 1.387 538 E CA 0.163 56.544 56.400 -0.032 0.000 1.155 538 E CB 0.263 29.971 29.700 0.013 0.000 0.967 538 E HN 0.146 nan 8.360 nan 0.000 0.529 539 S N -0.898 114.806 115.700 0.007 0.000 2.520 539 S HA -0.011 4.458 4.470 -0.003 0.000 0.219 539 S C -0.312 174.349 174.600 0.103 0.000 1.028 539 S CA 0.099 58.317 58.200 0.029 0.000 0.921 539 S CB 0.047 63.293 63.200 0.077 0.000 0.844 539 S HN 0.489 nan 8.310 nan 0.000 0.495 600 D N 2.556 122.985 120.400 0.047 0.000 2.329 600 D HA 0.591 5.230 4.640 -0.003 0.000 0.232 600 D C -0.624 175.699 176.300 0.037 0.000 1.088 600 D CA 0.123 54.151 54.000 0.047 0.000 0.835 600 D CB 1.576 42.395 40.800 0.031 0.000 1.078 600 D HN 0.521 nan 8.370 nan 0.000 0.495 601 V N 2.555 122.504 119.914 0.059 0.000 2.699 601 V HA 0.144 4.262 4.120 -0.003 0.000 0.311 601 V C 0.334 176.456 176.094 0.046 0.000 1.160 601 V CA -0.885 61.440 62.300 0.041 0.000 1.313 601 V CB 0.024 31.883 31.823 0.058 0.000 1.553 601 V HN 0.376 nan 8.190 nan 0.000 0.630 602 E N 2.807 123.026 120.200 0.032 0.000 3.311 602 E HA -0.160 4.189 4.350 -0.003 0.000 0.264 602 E C -0.247 176.371 176.600 0.030 0.000 0.875 602 E CA 0.720 57.137 56.400 0.028 0.000 0.969 602 E CB -0.015 29.695 29.700 0.016 0.000 0.910 602 E HN 0.767 nan 8.360 nan 0.000 0.548 603 D N 3.024 123.444 120.400 0.033 0.000 2.210 603 D HA 0.415 5.054 4.640 -0.003 0.000 0.249 603 D C 0.054 176.365 176.300 0.018 0.000 1.062 603 D CA -0.130 53.889 54.000 0.032 0.000 0.891 603 D CB 1.525 42.345 40.800 0.034 0.000 1.186 603 D HN 0.425 nan 8.370 nan 0.000 0.432 604 A N 2.010 124.839 122.820 0.015 0.000 2.268 604 A HA 0.070 4.389 4.320 -0.003 0.000 0.221 604 A C 1.376 178.963 177.584 0.006 0.000 1.287 604 A CA -0.072 51.970 52.037 0.008 0.000 0.902 604 A CB -0.944 18.060 19.000 0.007 0.000 0.877 604 A HN 0.666 nan 8.150 nan 0.000 0.487 605 L N -0.364 120.863 121.223 0.007 0.000 1.899 605 L HA -0.160 4.178 4.340 -0.003 0.000 0.223 605 L C 1.241 178.110 176.870 -0.001 0.000 1.088 605 L CA 1.650 56.491 54.840 0.002 0.000 0.788 605 L CB -0.310 41.749 42.059 0.000 0.000 0.889 605 L HN 0.466 nan 8.230 nan 0.000 0.431 606 D N -0.277 120.121 120.400 -0.003 0.000 2.400 606 D HA -0.059 4.579 4.640 -0.003 0.000 0.243 606 D C 1.218 177.516 176.300 -0.003 0.000 1.184 606 D CA 0.207 54.205 54.000 -0.004 0.000 0.853 606 D CB 0.266 41.063 40.800 -0.006 0.000 0.944 606 D HN 0.500 nan 8.370 nan 0.000 0.501 607 K N 0.423 120.822 120.400 -0.002 0.000 2.325 607 K HA -0.016 4.302 4.320 -0.003 0.000 0.203 607 K C -0.093 176.505 176.600 -0.003 0.000 1.128 607 K CA 0.237 56.523 56.287 -0.002 0.000 0.931 607 K CB 0.895 33.395 32.500 -0.001 0.000 1.125 607 K HN -0.149 nan 8.250 nan 0.000 0.487 608 D N 0.908 121.306 120.400 -0.002 0.000 2.328 608 D HA 0.263 4.901 4.640 -0.003 0.000 0.243 608 D C -0.271 176.027 176.300 -0.003 0.000 1.324 608 D CA -0.274 53.724 54.000 -0.003 0.000 0.966 608 D CB 1.832 42.631 40.800 -0.003 0.000 1.324 608 D HN 0.053 nan 8.370 nan 0.000 0.549 609 S N 0.995 116.692 115.700 -0.005 0.000 2.356 609 S HA -0.137 4.332 4.470 -0.003 0.000 0.223 609 S C 1.802 176.400 174.600 -0.004 0.000 1.032 609 S CA 1.580 59.778 58.200 -0.004 0.000 1.005 609 S CB -0.028 63.168 63.200 -0.007 0.000 0.867 609 S HN 0.625 nan 8.310 nan 0.000 0.449 610 T N 1.809 116.359 114.554 -0.007 0.000 2.685 610 T HA -0.187 4.161 4.350 -0.003 0.000 0.268 610 T C 1.806 176.506 174.700 -0.001 0.000 1.034 610 T CA 1.565 63.662 62.100 -0.005 0.000 1.149 610 T CB -0.236 68.627 68.868 -0.009 0.000 0.860 610 T HN 0.377 nan 8.240 nan 0.000 0.449 611 K N 0.501 120.900 120.400 -0.001 0.000 2.057 611 K HA -0.104 4.214 4.320 -0.003 0.000 0.206 611 K C 2.419 179.021 176.600 0.004 0.000 1.050 611 K CA 1.079 57.366 56.287 0.001 0.000 0.935 611 K CB 0.016 32.517 32.500 0.001 0.000 0.715 611 K HN 0.185 nan 8.250 nan 0.000 0.439 612 E N 0.406 120.609 120.200 0.005 0.000 2.110 612 E HA -0.146 4.203 4.350 -0.003 0.000 0.193 612 E C 2.012 178.618 176.600 0.009 0.000 0.988 612 E CA 0.846 57.252 56.400 0.009 0.000 0.804 612 E CB -0.049 29.656 29.700 0.009 0.000 0.745 612 E HN 0.112 nan 8.360 nan 0.000 0.458 613 V N 1.376 121.294 119.914 0.007 0.000 2.392 613 V HA -0.269 3.850 4.120 -0.003 0.000 0.249 613 V C 2.392 178.492 176.094 0.009 0.000 1.059 613 V CA 1.764 64.069 62.300 0.008 0.000 1.051 613 V CB -0.705 31.122 31.823 0.007 0.000 0.658 613 V HN 0.258 nan 8.190 nan 0.000 0.455 614 A N -0.572 122.253 122.820 0.007 0.000 2.070 614 A HA -0.190 4.128 4.320 -0.003 0.000 0.220 614 A C 2.520 180.108 177.584 0.007 0.000 1.159 614 A CA 1.933 53.974 52.037 0.007 0.000 0.656 614 A CB -0.517 18.485 19.000 0.004 0.000 0.800 614 A HN 0.580 nan 8.150 nan 0.000 0.453 615 S N -0.476 115.229 115.700 0.009 0.000 2.414 615 S HA -0.020 4.448 4.470 -0.003 0.000 0.227 615 S C 1.899 176.507 174.600 0.014 0.000 1.022 615 S CA 0.842 59.048 58.200 0.010 0.000 0.958 615 S CB -0.548 62.661 63.200 0.015 0.000 0.797 615 S HN 0.486 nan 8.310 nan 0.000 0.493 616 L N 1.498 122.730 121.223 0.015 0.000 2.021 616 L HA -0.087 4.251 4.340 -0.003 0.000 0.215 616 L C -0.685 176.194 176.870 0.015 0.000 1.074 616 L CA 1.662 56.512 54.840 0.017 0.000 0.760 616 L CB -1.709 40.359 42.059 0.015 0.000 0.889 616 L HN 0.344 nan 8.230 nan 0.000 0.433 617 P HA -0.072 nan 4.420 nan 0.000 0.230 617 P C -0.393 176.910 177.300 0.006 0.000 1.158 617 P CA 0.895 64.001 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 0.474 119.176 118.700 0.004 0.000 2.419 618 N HA 0.160 4.898 4.740 -0.003 0.000 0.264 618 N C -0.185 175.321 175.510 -0.007 0.000 1.031 618 N CA -0.518 52.529 53.050 -0.004 0.000 0.951 618 N CB 0.738 39.218 38.487 -0.011 0.000 1.101 618 N HN -0.102 nan 8.380 nan 0.000 0.488 619 K N 1.446 121.839 120.400 -0.012 0.000 2.349 619 K HA 0.139 4.457 4.320 -0.003 0.000 0.288 619 K C -0.414 176.159 176.600 -0.045 0.000 1.058 619 K CA -0.162 56.117 56.287 -0.014 0.000 0.953 619 K CB 0.505 32.999 32.500 -0.009 0.000 0.997 619 K HN 0.488 nan 8.250 nan 0.000 0.477 620 S N 2.224 117.885 115.700 -0.065 0.000 2.510 620 S HA 0.084 4.553 4.470 -0.003 0.000 0.279 620 S C -0.168 174.337 174.600 -0.158 0.000 1.284 620 S CA -0.565 57.525 58.200 -0.183 0.000 1.059 620 S CB 0.827 63.790 63.200 -0.395 0.000 0.901 620 S HN 0.475 nan 8.310 nan 0.000 0.491 621 T N 4.291 118.751 114.554 -0.157 0.000 2.767 621 T HA 0.622 4.970 4.350 -0.003 0.000 0.284 621 T C 0.126 174.744 174.700 -0.137 0.000 0.973 621 T CA -0.631 61.404 62.100 -0.109 0.000 0.996 621 T CB 0.083 68.907 68.868 -0.074 0.000 0.927 621 T HN 0.578 nan 8.240 nan 0.000 0.456 622 I N 0.053 120.568 120.570 -0.092 0.000 2.647 622 I HA 0.530 4.699 4.170 -0.003 0.000 0.295 622 I C 0.649 176.752 176.117 -0.024 0.000 1.078 622 I CA -1.132 60.125 61.300 -0.072 0.000 1.048 622 I CB 2.373 40.337 38.000 -0.059 0.000 1.239 622 I HN 0.636 nan 8.210 nan 0.000 0.421 623 S N 3.101 118.791 115.700 -0.017 0.000 2.566 623 S HA 0.055 4.523 4.470 -0.003 0.000 0.234 623 S C 0.767 175.374 174.600 0.010 0.000 1.075 623 S CA -0.225 57.974 58.200 -0.003 0.000 0.926 623 S CB -0.242 62.954 63.200 -0.007 0.000 0.811 623 S HN 0.773 nan 8.310 nan 0.000 0.518 624 K N 2.792 123.200 120.400 0.013 0.000 2.121 624 K HA 0.269 4.588 4.320 -0.003 0.000 0.235 624 K C -0.670 175.956 176.600 0.043 0.000 1.200 624 K CA -0.095 56.207 56.287 0.025 0.000 1.115 624 K CB -0.435 32.080 32.500 0.024 0.000 1.474 624 K HN -0.089 nan 8.250 nan 0.000 0.295 625 T N 1.963 116.543 114.554 0.043 0.000 2.908 625 T HA -0.053 4.295 4.350 -0.003 0.000 0.301 625 T C 1.598 176.335 174.700 0.061 0.000 1.019 625 T CA -0.207 61.927 62.100 0.057 0.000 1.152 625 T CB 0.796 69.693 68.868 0.048 0.000 0.966 625 T HN 0.376 nan 8.240 nan 0.000 0.540 626 V N 4.269 124.229 119.914 0.076 0.000 2.568 626 V HA -0.181 3.937 4.120 -0.003 0.000 0.253 626 V C 2.626 178.755 176.094 0.057 0.000 1.072 626 V CA 2.248 64.589 62.300 0.068 0.000 1.084 626 V CB -0.678 31.188 31.823 0.072 0.000 0.676 626 V HN 1.102 nan 8.190 nan 0.000 0.469 627 S N 0.971 116.707 115.700 0.060 0.000 2.383 627 S HA -0.209 4.259 4.470 -0.003 0.000 0.229 627 S C 1.983 176.617 174.600 0.057 0.000 1.030 627 S CA 1.782 60.021 58.200 0.066 0.000 1.002 627 S CB -0.688 62.552 63.200 0.067 0.000 0.829 627 S HN 0.773 nan 8.310 nan 0.000 0.467 628 S N 0.435 116.163 115.700 0.046 0.000 2.607 628 S HA 0.042 4.510 4.470 -0.003 0.000 0.224 628 S C 1.324 175.942 174.600 0.030 0.000 0.969 628 S CA 0.659 58.881 58.200 0.037 0.000 0.927 628 S CB -0.882 62.337 63.200 0.031 0.000 0.772 628 S HN 0.642 nan 8.310 nan 0.000 0.533 629 T N 1.747 116.320 114.554 0.031 0.000 3.067 629 T HA 0.326 4.674 4.350 -0.003 0.000 0.257 629 T C 0.665 175.371 174.700 0.011 0.000 1.105 629 T CA -0.134 61.978 62.100 0.020 0.000 1.104 629 T CB -0.370 68.511 68.868 0.021 0.000 0.925 629 T HN 0.426 nan 8.240 nan 0.000 0.498 630 I N 3.586 124.170 120.570 0.023 0.000 2.664 630 I HA 0.091 4.259 4.170 -0.003 0.000 0.284 630 I C -2.113 174.007 176.117 0.005 0.000 1.154 630 I CA -1.855 59.455 61.300 0.017 0.000 1.402 630 I CB 0.135 38.173 38.000 0.063 0.000 1.395 630 I HN -0.032 nan 8.210 nan 0.000 0.545 631 P HA 0.084 nan 4.420 nan 0.000 0.269 631 P C -0.573 176.717 177.300 -0.016 0.000 1.217 631 P CA -0.249 62.833 63.100 -0.030 0.000 0.783 631 P CB 0.427 32.090 31.700 -0.060 0.000 0.898 632 R N 1.847 122.341 120.500 -0.010 0.000 2.590 632 R HA 0.059 4.397 4.340 -0.003 0.000 0.274 632 R C 0.246 176.534 176.300 -0.020 0.000 1.061 632 R CA -0.006 56.094 56.100 0.001 0.000 1.081 632 R CB -0.246 30.055 30.300 0.001 0.000 0.984 632 R HN 0.569 nan 8.270 nan 0.000 0.448 633 E N -0.723 119.470 120.200 -0.010 0.000 2.416 633 E HA -0.172 4.176 4.350 -0.003 0.000 0.249 633 E C -1.159 175.381 176.600 -0.100 0.000 1.124 633 E CA 0.792 57.169 56.400 -0.039 0.000 0.732 633 E CB -1.337 28.341 29.700 -0.037 0.000 1.286 633 E HN 0.668 nan 8.360 nan 0.000 0.394 634 T N 0.502 114.977 114.554 -0.132 0.000 3.032 634 T HA 0.540 4.888 4.350 -0.003 0.000 0.312 634 T C 0.084 174.569 174.700 -0.358 0.000 1.078 634 T CA -0.814 61.150 62.100 -0.227 0.000 1.028 634 T CB 1.111 69.865 68.868 -0.190 0.000 1.091 634 T HN 0.281 nan 8.240 nan 0.000 0.457 635 I N 1.340 121.615 120.570 -0.490 0.000 2.315 635 I HA 0.467 4.635 4.170 -0.003 0.000 0.291 635 I C -2.737 173.159 176.117 -0.368 0.000 1.006 635 I CA -2.822 58.040 61.300 -0.731 0.000 1.265 635 I CB 0.732 38.286 38.000 -0.743 0.000 1.387 635 I HN 0.228 nan 8.210 nan 0.000 0.475 636 P HA 0.066 nan 4.420 nan 0.000 0.269 636 P C 0.260 177.648 177.300 0.146 0.000 1.215 636 P CA -0.077 62.997 63.100 -0.044 0.000 0.780 636 P CB 0.374 32.158 31.700 0.139 0.000 0.898 637 F N 0.343 120.400 119.950 0.179 0.000 2.408 637 F HA -0.000 4.525 4.527 -0.003 0.000 0.300 637 F C 0.998 176.968 175.800 0.284 0.000 1.090 637 F CA 1.208 59.349 58.000 0.236 0.000 1.427 637 F CB -0.446 38.666 39.000 0.186 0.000 1.070 637 F HN 0.110 nan 8.300 nan 0.000 0.549 638 L N 0.445 121.935 121.223 0.444 0.000 2.386 638 L HA 0.445 4.783 4.340 -0.003 0.000 0.271 638 L C -0.442 176.682 176.870 0.422 0.000 0.993 638 L CA -0.718 54.343 54.840 0.369 0.000 0.819 638 L CB 2.112 44.442 42.059 0.452 0.000 1.294 638 L HN 0.094 nan 8.230 nan 0.000 0.414 639 H N 2.290 121.548 119.070 0.313 0.000 3.042 639 H HA 0.539 5.093 4.556 -0.003 0.000 0.346 639 H C -1.880 173.532 175.328 0.139 0.000 1.294 639 H CA -1.014 55.225 56.048 0.319 0.000 1.141 639 H CB 1.631 31.656 29.762 0.437 0.000 1.872 639 H HN 0.399 nan 8.280 nan 0.000 0.541 640 L N 1.372 122.768 121.223 0.288 0.000 2.387 640 L HA 0.591 4.930 4.340 -0.003 0.000 0.266 640 L C 0.362 177.383 176.870 0.251 0.000 1.059 640 L CA -0.935 53.972 54.840 0.112 0.000 0.801 640 L CB 1.535 43.612 42.059 0.029 0.000 1.223 640 L HN 0.545 nan 8.230 nan 0.000 0.456 641 R N 0.804 121.420 120.500 0.193 0.000 2.854 641 R HA 0.509 4.847 4.340 -0.003 0.000 0.271 641 R C -1.121 175.347 176.300 0.280 0.000 0.994 641 R CA -0.936 55.326 56.100 0.269 0.000 0.945 641 R CB 2.808 33.319 30.300 0.351 0.000 1.194 641 R HN 0.424 nan 8.270 nan 0.000 0.476 642 K N 1.762 122.259 120.400 0.162 0.000 2.397 642 K HA 0.228 4.547 4.320 -0.003 0.000 0.253 642 K C -1.097 175.308 176.600 -0.325 0.000 0.932 642 K CA -0.662 55.604 56.287 -0.035 0.000 0.795 642 K CB 1.794 34.250 32.500 -0.073 0.000 1.159 642 K HN 0.351 nan 8.250 nan 0.000 0.424 643 K N 3.208 123.105 120.400 -0.839 0.000 2.349 643 K HA 0.030 4.348 4.320 -0.003 0.000 0.289 643 K C -0.252 176.024 176.600 -0.542 0.000 1.064 643 K CA 0.004 55.605 56.287 -1.143 0.000 0.947 643 K CB 0.877 32.362 32.500 -1.691 0.000 1.007 643 K HN 0.754 nan 8.250 nan 0.000 0.478 644 T N 4.008 118.333 114.554 -0.382 0.000 2.900 644 T HA 0.128 4.476 4.350 -0.003 0.000 0.307 644 T C -1.695 172.878 174.700 -0.213 0.000 1.065 644 T CA -1.373 60.592 62.100 -0.226 0.000 1.105 644 T CB 0.747 69.528 68.868 -0.145 0.000 0.979 644 T HN 0.433 nan 8.240 nan 0.000 0.544 645 P HA -0.017 nan 4.420 nan 0.000 0.218 645 P C 1.389 178.628 177.300 -0.102 0.000 1.148 645 P CA 1.292 64.319 63.100 -0.122 0.000 0.822 645 P CB -0.181 31.465 31.700 -0.090 0.000 0.784 646 A N -0.840 121.926 122.820 -0.091 0.000 1.986 646 A HA 0.048 4.367 4.320 -0.003 0.000 0.220 646 A C 1.972 179.512 177.584 -0.073 0.000 1.171 646 A CA 2.124 54.120 52.037 -0.067 0.000 0.640 646 A CB -1.377 17.591 19.000 -0.053 0.000 0.811 646 A HN 0.314 nan 8.150 nan 0.000 0.451 647 G N -1.734 106.991 108.800 -0.124 0.000 2.229 647 G HA2 -0.116 3.842 3.960 -0.003 0.000 0.189 647 G HA3 -0.116 3.842 3.960 -0.003 0.000 0.189 647 G C -0.441 174.358 174.900 -0.169 0.000 1.000 647 G CA 0.172 45.189 45.100 -0.137 0.000 0.663 647 G HN 0.517 nan 8.290 nan 0.000 0.493 648 D N -0.348 119.965 120.400 -0.146 0.000 2.312 648 D HA 0.478 5.116 4.640 -0.003 0.000 0.248 648 D C -0.352 175.835 176.300 -0.188 0.000 1.086 648 D CA -0.202 53.757 54.000 -0.070 0.000 0.948 648 D CB 0.649 41.450 40.800 0.002 0.000 1.162 648 D HN 0.248 nan 8.370 nan 0.000 0.446 649 W N 1.323 122.606 121.300 -0.028 0.000 2.253 649 W HA 0.269 4.927 4.660 -0.003 0.000 0.348 649 W C 0.475 176.996 176.519 0.003 0.000 0.920 649 W CA -0.615 56.702 57.345 -0.046 0.000 1.518 649 W CB 0.497 29.898 29.460 -0.100 0.000 1.446 649 W HN -0.073 nan 8.180 nan 0.000 0.361 650 K N 1.164 121.646 120.400 0.137 0.000 2.106 650 K HA 0.286 4.605 4.320 -0.003 0.000 0.246 650 K C -0.546 176.153 176.600 0.165 0.000 0.987 650 K CA -1.266 55.106 56.287 0.142 0.000 0.904 650 K CB 1.045 33.591 32.500 0.076 0.000 1.071 650 K HN 0.196 nan 8.250 nan 0.000 0.453 651 Y N 1.346 121.656 120.300 0.017 0.000 2.632 651 Y HA -0.010 4.538 4.550 -0.003 0.000 0.329 651 Y C -0.563 175.330 175.900 -0.011 0.000 1.174 651 Y CA -0.078 57.987 58.100 -0.059 0.000 1.469 651 Y CB 0.406 38.698 38.460 -0.280 0.000 1.242 651 Y HN 0.481 nan 8.280 nan 0.000 0.540 652 D N 5.814 125.919 120.400 -0.491 0.000 2.414 652 D HA 0.229 4.867 4.640 -0.003 0.000 0.232 652 D C 0.990 176.833 176.300 -0.761 0.000 1.070 652 D CA -0.512 53.171 54.000 -0.528 0.000 0.839 652 D CB 0.907 41.585 40.800 -0.203 0.000 1.079 652 D HN 0.725 nan 8.370 nan 0.000 0.521 653 R N 2.815 122.809 120.500 -0.843 0.000 2.105 653 R HA -0.177 4.161 4.340 -0.003 0.000 0.239 653 R C 1.591 177.797 176.300 -0.156 0.000 1.135 653 R CA 1.536 57.346 56.100 -0.483 0.000 0.967 653 R CB 0.141 30.342 30.300 -0.166 0.000 0.861 653 R HN 0.623 nan 8.270 nan 0.000 0.442 654 Q N 0.309 120.035 119.800 -0.124 0.000 1.975 654 Q HA -0.191 4.148 4.340 -0.003 0.000 0.205 654 Q C 2.331 178.331 176.000 -0.001 0.000 0.990 654 Q CA 1.970 57.750 55.803 -0.039 0.000 0.845 654 Q CB -0.172 28.544 28.738 -0.036 0.000 0.913 654 Q HN 0.389 nan 8.270 nan 0.000 0.420 655 L N 0.183 121.397 121.223 -0.016 0.000 2.043 655 L HA -0.254 4.084 4.340 -0.003 0.000 0.212 655 L C 2.477 179.419 176.870 0.119 0.000 1.075 655 L CA 1.216 56.081 54.840 0.042 0.000 0.752 655 L CB -0.422 41.651 42.059 0.023 0.000 0.891 655 L HN 0.177 nan 8.230 nan 0.000 0.432 656 S N -1.043 114.723 115.700 0.111 0.000 2.423 656 S HA -0.133 4.335 4.470 -0.003 0.000 0.231 656 S C 2.159 176.911 174.600 0.253 0.000 1.014 656 S CA 1.274 59.633 58.200 0.265 0.000 0.965 656 S CB -0.027 63.379 63.200 0.344 0.000 0.785 656 S HN 0.357 nan 8.310 nan 0.000 0.495 657 S N 1.509 117.301 115.700 0.153 0.000 2.377 657 S HA 0.135 4.603 4.470 -0.003 0.000 0.223 657 S C 1.748 176.421 174.600 0.120 0.000 1.030 657 S CA 0.381 58.656 58.200 0.124 0.000 0.970 657 S CB -0.362 62.887 63.200 0.082 0.000 0.830 657 S HN 0.385 nan 8.310 nan 0.000 0.473 658 L N 0.321 121.619 121.223 0.125 0.000 2.013 658 L HA -0.175 4.164 4.340 -0.003 0.000 0.212 658 L C 2.221 179.193 176.870 0.169 0.000 1.073 658 L CA 1.706 56.622 54.840 0.126 0.000 0.753 658 L CB -0.289 41.842 42.059 0.120 0.000 0.890 658 L HN 0.319 nan 8.230 nan 0.000 0.432 659 F N 0.057 120.048 119.950 0.069 0.000 2.113 659 F HA -0.195 4.331 4.527 -0.003 0.000 0.297 659 F C 2.076 177.927 175.800 0.084 0.000 1.103 659 F CA 1.599 59.643 58.000 0.073 0.000 1.248 659 F CB -0.321 38.730 39.000 0.084 0.000 0.999 659 F HN -0.068 nan 8.300 nan 0.000 0.475 660 L N -0.161 121.030 121.223 -0.052 0.000 2.141 660 L HA -0.172 4.167 4.340 -0.003 0.000 0.209 660 L C 2.044 178.869 176.870 -0.076 0.000 1.094 660 L CA 1.164 55.929 54.840 -0.126 0.000 0.763 660 L CB -0.674 41.416 42.059 0.051 0.000 0.908 660 L HN 0.051 nan 8.230 nan 0.000 0.437 661 D N -0.154 120.241 120.400 -0.008 0.000 2.123 661 D HA -0.109 4.530 4.640 -0.003 0.000 0.200 661 D C 2.127 178.431 176.300 0.006 0.000 0.976 661 D CA 1.350 55.364 54.000 0.023 0.000 0.831 661 D CB -0.304 40.525 40.800 0.048 0.000 0.974 661 D HN 0.290 nan 8.370 nan 0.000 0.469 662 G N 0.996 109.780 108.800 -0.027 0.000 2.491 662 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.218 662 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.218 662 G C 1.559 176.412 174.900 -0.078 0.000 1.180 662 G CA 0.508 45.586 45.100 -0.037 0.000 0.774 662 G HN 0.176 nan 8.290 nan 0.000 0.562 663 L N 0.841 121.944 121.223 -0.200 0.000 2.043 663 L HA -0.075 4.263 4.340 -0.003 0.000 0.212 663 L C 2.658 179.578 176.870 0.084 0.000 1.075 663 L CA 2.113 56.865 54.840 -0.147 0.000 0.752 663 L CB -0.839 41.091 42.059 -0.214 0.000 0.891 663 L HN 0.499 nan 8.230 nan 0.000 0.432 664 E N -0.302 119.924 120.200 0.044 0.000 2.031 664 E HA -0.279 4.070 4.350 -0.003 0.000 0.193 664 E C 2.259 178.913 176.600 0.090 0.000 0.994 664 E CA 1.296 57.726 56.400 0.049 0.000 0.800 664 E CB -0.068 29.686 29.700 0.090 0.000 0.752 664 E HN 0.376 nan 8.360 nan 0.000 0.447 665 K N -0.198 120.276 120.400 0.123 0.000 2.211 665 K HA -0.122 4.197 4.320 -0.003 0.000 0.204 665 K C 1.841 178.506 176.600 0.108 0.000 1.047 665 K CA 1.013 57.389 56.287 0.149 0.000 0.935 665 K CB -0.088 32.468 32.500 0.093 0.000 0.728 665 K HN 0.181 nan 8.250 nan 0.000 0.452 666 A N 0.274 123.137 122.820 0.071 0.000 2.067 666 A HA 0.081 4.399 4.320 -0.003 0.000 0.217 666 A C 2.071 179.701 177.584 0.076 0.000 1.156 666 A CA 1.202 53.273 52.037 0.057 0.000 0.683 666 A CB -0.227 18.792 19.000 0.032 0.000 0.808 666 A HN 0.386 nan 8.150 nan 0.000 0.455 667 A N -1.477 121.381 122.820 0.064 0.000 1.975 667 A HA 0.226 4.545 4.320 -0.003 0.000 0.215 667 A C 1.856 179.335 177.584 -0.174 0.000 1.170 667 A CA 0.881 52.852 52.037 -0.111 0.000 0.656 667 A CB -0.463 18.367 19.000 -0.283 0.000 0.821 667 A HN 0.492 nan 8.150 nan 0.000 0.449 668 F N -0.372 119.585 119.950 0.012 0.000 2.317 668 F HA 0.016 4.542 4.527 -0.003 0.000 0.290 668 F C 2.038 177.827 175.800 -0.019 0.000 1.075 668 F CA 0.619 58.615 58.000 -0.006 0.000 1.380 668 F CB 0.235 39.237 39.000 0.004 0.000 1.093 668 F HN 0.177 nan 8.300 nan 0.000 0.524 669 N N -0.542 118.263 118.700 0.176 0.000 2.414 669 N HA 0.214 4.952 4.740 -0.003 0.000 0.177 669 N C 0.785 176.303 175.510 0.013 0.000 1.062 669 N CA 1.083 54.180 53.050 0.078 0.000 0.890 669 N CB 0.183 38.705 38.487 0.058 0.000 1.070 669 N HN 0.236 nan 8.380 nan 0.000 0.454 670 G N 0.250 109.041 108.800 -0.015 0.000 2.781 670 G HA2 -0.147 3.812 3.960 -0.003 0.000 0.683 670 G HA3 -0.147 3.812 3.960 -0.003 0.000 0.683 670 G C -0.885 173.962 174.900 -0.087 0.000 1.390 670 G CA -0.367 44.678 45.100 -0.091 0.000 0.850 670 G HN 0.099 nan 8.290 nan 0.000 0.557 671 V N -0.296 119.536 119.914 -0.137 0.000 2.680 671 V HA 0.806 4.924 4.120 -0.003 0.000 0.309 671 V C 0.681 176.498 176.094 -0.461 0.000 1.052 671 V CA -0.039 62.107 62.300 -0.257 0.000 0.908 671 V CB 1.758 33.399 31.823 -0.304 0.000 1.001 671 V HN 1.296 nan 8.190 nan 0.000 0.431 672 T N 2.177 116.483 114.554 -0.414 0.000 2.907 672 T HA 0.624 4.973 4.350 -0.003 0.000 0.284 672 T C -0.372 174.017 174.700 -0.520 0.000 1.004 672 T CA -0.078 61.794 62.100 -0.379 0.000 1.063 672 T CB 0.433 69.211 68.868 -0.150 0.000 0.992 672 T HN 0.446 nan 8.240 nan 0.000 0.483 673 F N 1.819 121.769 119.950 0.001 0.000 2.775 673 F HA 0.412 4.938 4.527 -0.003 0.000 0.313 673 F C 0.936 176.688 175.800 -0.081 0.000 1.121 673 F CA -0.822 57.152 58.000 -0.044 0.000 1.206 673 F CB 0.110 39.070 39.000 -0.067 0.000 1.052 673 F HN 0.458 nan 8.300 nan 0.000 0.524 674 K N 1.618 122.047 120.400 0.047 0.000 2.550 674 K HA -0.134 4.184 4.320 -0.003 0.000 0.280 674 K C 0.181 176.757 176.600 -0.041 0.000 0.987 674 K CA 1.099 57.380 56.287 -0.010 0.000 1.048 674 K CB 0.206 32.699 32.500 -0.011 0.000 0.879 674 K HN 0.305 nan 8.250 nan 0.000 0.491 675 D N 0.777 121.100 120.400 -0.127 0.000 2.946 675 D HA -0.168 4.470 4.640 -0.003 0.000 0.202 675 D C -0.523 175.663 176.300 -0.190 0.000 1.068 675 D CA 1.230 55.143 54.000 -0.144 0.000 1.011 675 D CB -0.580 40.209 40.800 -0.019 0.000 1.105 675 D HN 0.663 nan 8.370 nan 0.000 0.425 676 K N 0.354 120.617 120.400 -0.227 0.000 2.227 676 K HA 0.324 4.642 4.320 -0.003 0.000 0.280 676 K C -0.783 175.556 176.600 -0.435 0.000 1.041 676 K CA -0.395 55.785 56.287 -0.179 0.000 0.905 676 K CB 0.557 33.026 32.500 -0.052 0.000 1.068 676 K HN -0.116 nan 8.250 nan 0.000 0.470 677 Y N 2.640 122.801 120.300 -0.233 0.000 2.335 677 Y HA 0.333 4.881 4.550 -0.003 0.000 0.339 677 Y C -0.265 175.520 175.900 -0.192 0.000 0.987 677 Y CA -0.750 57.148 58.100 -0.338 0.000 1.140 677 Y CB 1.640 39.829 38.460 -0.453 0.000 1.173 677 Y HN 0.119 nan 8.280 nan 0.000 0.486 678 V N 5.120 125.000 119.914 -0.057 0.000 2.709 678 V HA 0.363 4.482 4.120 -0.003 0.000 0.308 678 V C -1.074 175.030 176.094 0.017 0.000 1.062 678 V CA -0.899 61.372 62.300 -0.048 0.000 0.901 678 V CB 2.096 33.833 31.823 -0.143 0.000 1.003 678 V HN 0.496 nan 8.190 nan 0.000 0.425 679 L N 5.888 127.110 121.223 -0.002 0.000 2.287 679 L HA 0.718 5.057 4.340 -0.003 0.000 0.287 679 L C -0.777 176.048 176.870 -0.074 0.000 1.022 679 L CA -0.040 54.790 54.840 -0.017 0.000 0.814 679 L CB 1.072 43.117 42.059 -0.023 0.000 1.217 679 L HN 0.698 nan 8.230 nan 0.000 0.420 680 I N 4.710 125.232 120.570 -0.081 0.000 2.478 680 I HA 0.465 4.633 4.170 -0.003 0.000 0.287 680 I C -0.642 175.443 176.117 -0.054 0.000 1.042 680 I CA -0.119 61.117 61.300 -0.106 0.000 1.067 680 I CB 1.839 39.748 38.000 -0.152 0.000 1.233 680 I HN 0.827 nan 8.210 nan 0.000 0.431 681 T N 2.096 116.641 114.554 -0.015 0.000 2.859 681 T HA 0.681 5.030 4.350 -0.003 0.000 0.281 681 T C 0.658 175.436 174.700 0.129 0.000 1.005 681 T CA 0.126 62.270 62.100 0.072 0.000 1.025 681 T CB 1.686 70.625 68.868 0.118 0.000 0.977 681 T HN 1.159 nan 8.240 nan 0.000 0.458 682 G N 1.065 109.958 108.800 0.155 0.000 2.141 682 G HA2 -0.003 3.955 3.960 -0.003 0.000 0.231 682 G HA3 -0.003 3.955 3.960 -0.003 0.000 0.231 682 G C 0.476 175.469 174.900 0.155 0.000 0.984 682 G CA -0.221 44.980 45.100 0.169 0.000 0.660 682 G HN 1.557 nan 8.290 nan 0.000 0.525 683 A N 0.502 123.409 122.820 0.146 0.000 2.797 683 A HA 0.705 5.024 4.320 -0.003 0.000 0.287 683 A C 1.470 179.188 177.584 0.223 0.000 1.369 683 A CA 1.140 53.272 52.037 0.157 0.000 0.968 683 A CB -0.425 18.655 19.000 0.133 0.000 1.069 683 A HN 1.688 nan 8.150 nan 0.000 0.571 684 G N -0.037 108.855 108.800 0.153 0.000 2.716 684 G HA2 0.269 4.227 3.960 -0.003 0.000 0.251 684 G HA3 0.269 4.227 3.960 -0.003 0.000 0.251 684 G C 0.243 175.112 174.900 -0.053 0.000 1.224 684 G CA -0.442 44.699 45.100 0.067 0.000 0.891 684 G HN 0.645 nan 8.290 nan 0.000 0.561 685 K N -0.564 119.630 120.400 -0.343 0.000 2.414 685 K HA 0.346 4.665 4.320 -0.003 0.000 0.272 685 K C 1.097 177.608 176.600 -0.148 0.000 0.993 685 K CA 0.646 56.674 56.287 -0.431 0.000 0.964 685 K CB -0.022 31.986 32.500 -0.820 0.000 0.925 685 K HN 1.333 nan 8.250 nan 0.000 0.487 686 G N 1.953 110.721 108.800 -0.052 0.000 2.338 686 G HA2 -0.251 3.708 3.960 -0.003 0.000 0.296 686 G HA3 -0.251 3.708 3.960 -0.003 0.000 0.296 686 G C -0.375 174.529 174.900 0.007 0.000 1.040 686 G CA 0.649 45.742 45.100 -0.012 0.000 1.004 686 G HN 0.930 nan 8.290 nan 0.000 0.509 687 S N -1.642 114.078 115.700 0.033 0.000 2.607 687 S HA 0.687 5.156 4.470 -0.003 0.000 0.273 687 S C 1.154 175.798 174.600 0.074 0.000 1.148 687 S CA -0.464 57.767 58.200 0.052 0.000 0.833 687 S CB 1.300 64.536 63.200 0.061 0.000 1.130 687 S HN 0.351 nan 8.310 nan 0.000 0.470 688 I N 1.298 121.926 120.570 0.097 0.000 2.335 688 I HA -0.093 4.075 4.170 -0.003 0.000 0.251 688 I C 2.595 178.767 176.117 0.091 0.000 1.129 688 I CA 1.664 63.032 61.300 0.114 0.000 1.402 688 I CB -1.232 36.875 38.000 0.178 0.000 1.069 688 I HN 0.934 nan 8.210 nan 0.000 0.424 689 G N 1.195 110.061 108.800 0.110 0.000 2.514 689 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.217 689 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.217 689 G C 1.840 176.754 174.900 0.023 0.000 1.198 689 G CA 0.997 46.122 45.100 0.041 0.000 0.780 689 G HN 0.504 nan 8.290 nan 0.000 0.565 690 A N 0.012 122.878 122.820 0.077 0.000 2.067 690 A HA 0.067 4.385 4.320 -0.003 0.000 0.219 690 A C 2.226 179.821 177.584 0.019 0.000 1.158 690 A CA 1.782 53.881 52.037 0.104 0.000 0.661 690 A CB -0.179 18.931 19.000 0.183 0.000 0.801 690 A HN 0.332 nan 8.150 nan 0.000 0.452 691 E N -0.269 119.931 120.200 0.001 0.000 2.112 691 E HA -0.056 4.292 4.350 -0.003 0.000 0.190 691 E C 2.129 178.672 176.600 -0.096 0.000 0.979 691 E CA 0.994 57.371 56.400 -0.039 0.000 0.814 691 E CB -0.418 29.288 29.700 0.010 0.000 0.762 691 E HN 0.385 nan 8.360 nan 0.000 0.460 692 V N 1.763 121.613 119.914 -0.107 0.000 2.427 692 V HA -0.219 3.899 4.120 -0.003 0.000 0.248 692 V C 2.448 178.403 176.094 -0.231 0.000 1.051 692 V CA 1.295 63.476 62.300 -0.199 0.000 1.048 692 V CB -0.446 31.239 31.823 -0.230 0.000 0.666 692 V HN 0.168 nan 8.190 nan 0.000 0.456 693 L N 0.032 121.167 121.223 -0.147 0.000 2.056 693 L HA -0.189 4.149 4.340 -0.003 0.000 0.207 693 L C 2.391 179.188 176.870 -0.123 0.000 1.078 693 L CA 1.927 56.704 54.840 -0.105 0.000 0.749 693 L CB -0.730 41.338 42.059 0.016 0.000 0.901 693 L HN 0.321 nan 8.230 nan 0.000 0.433 694 Q N -0.392 119.299 119.800 -0.182 0.000 2.084 694 Q HA -0.140 4.198 4.340 -0.003 0.000 0.202 694 Q C 2.123 177.959 176.000 -0.274 0.000 0.978 694 Q CA 1.456 57.051 55.803 -0.346 0.000 0.844 694 Q CB -0.627 27.725 28.738 -0.643 0.000 0.898 694 Q HN 0.722 nan 8.270 nan 0.000 0.426 695 G N 1.071 109.704 108.800 -0.278 0.000 2.459 695 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.217 695 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.217 695 G C 1.391 176.192 174.900 -0.165 0.000 1.183 695 G CA 0.728 45.595 45.100 -0.388 0.000 0.776 695 G HN 0.186 nan 8.290 nan 0.000 0.552 696 L N -0.064 121.014 121.223 -0.241 0.000 2.012 696 L HA -0.088 4.250 4.340 -0.003 0.000 0.210 696 L C 3.004 179.899 176.870 0.042 0.000 1.073 696 L CA 0.843 55.562 54.840 -0.202 0.000 0.748 696 L CB -0.511 41.356 42.059 -0.320 0.000 0.891 696 L HN 0.202 nan 8.230 nan 0.000 0.431 697 L N -0.768 120.470 121.223 0.024 0.000 2.079 697 L HA -0.266 4.072 4.340 -0.003 0.000 0.210 697 L C 2.666 179.610 176.870 0.123 0.000 1.081 697 L CA 1.293 56.188 54.840 0.093 0.000 0.752 697 L CB -0.465 41.662 42.059 0.114 0.000 0.896 697 L HN 0.398 nan 8.230 nan 0.000 0.433 698 Q N -0.259 119.629 119.800 0.148 0.000 2.224 698 Q HA -0.135 4.203 4.340 -0.003 0.000 0.203 698 Q C 1.941 178.052 176.000 0.185 0.000 0.970 698 Q CA 1.295 57.213 55.803 0.193 0.000 0.865 698 Q CB -0.052 28.841 28.738 0.258 0.000 0.922 698 Q HN 0.547 nan 8.270 nan 0.000 0.445 699 G N -1.389 107.559 108.800 0.246 0.000 2.985 699 G HA2 0.203 4.162 3.960 -0.003 0.000 0.209 699 G HA3 0.203 4.162 3.960 -0.003 0.000 0.209 699 G C 0.734 175.714 174.900 0.134 0.000 1.165 699 G CA 0.301 45.507 45.100 0.177 0.000 0.776 699 G HN 0.495 nan 8.290 nan 0.000 0.541 700 G N -1.103 107.772 108.800 0.124 0.000 2.132 700 G HA2 0.151 4.109 3.960 -0.003 0.000 0.228 700 G HA3 0.151 4.109 3.960 -0.003 0.000 0.228 700 G C 0.489 175.400 174.900 0.018 0.000 1.000 700 G CA 0.161 45.301 45.100 0.068 0.000 0.693 700 G HN 1.230 nan 8.290 nan 0.000 0.515 701 A N -0.184 122.653 122.820 0.029 0.000 2.346 701 A HA 0.654 4.973 4.320 -0.003 0.000 0.252 701 A C 0.619 178.087 177.584 -0.193 0.000 1.089 701 A CA 0.152 52.123 52.037 -0.110 0.000 0.797 701 A CB 0.439 19.372 19.000 -0.113 0.000 1.047 701 A HN 0.421 nan 8.150 nan 0.000 0.494 702 K N 1.161 121.289 120.400 -0.453 0.000 2.367 702 K HA 0.520 4.839 4.320 -0.003 0.000 0.263 702 K C -1.483 174.918 176.600 -0.332 0.000 1.000 702 K CA -0.384 55.611 56.287 -0.487 0.000 0.891 702 K CB 1.514 33.370 32.500 -1.074 0.000 1.117 702 K HN 0.348 nan 8.250 nan 0.000 0.443 703 V N 2.424 122.359 119.914 0.034 0.000 2.656 703 V HA 0.325 4.443 4.120 -0.003 0.000 0.307 703 V C -0.175 176.089 176.094 0.283 0.000 1.051 703 V CA -1.123 61.245 62.300 0.114 0.000 0.893 703 V CB 2.025 33.865 31.823 0.028 0.000 0.999 703 V HN 0.423 nan 8.190 nan 0.000 0.426 704 V N 4.575 124.647 119.914 0.262 0.000 2.370 704 V HA 0.482 4.601 4.120 -0.003 0.000 0.279 704 V C -0.061 176.056 176.094 0.038 0.000 1.029 704 V CA -0.567 61.833 62.300 0.165 0.000 0.870 704 V CB 1.454 33.367 31.823 0.150 0.000 0.984 704 V HN 0.621 nan 8.190 nan 0.000 0.451 705 V N 4.079 123.985 119.914 -0.014 0.000 2.483 705 V HA 0.524 4.643 4.120 -0.003 0.000 0.295 705 V C 0.559 176.632 176.094 -0.034 0.000 1.035 705 V CA -0.439 61.819 62.300 -0.070 0.000 0.896 705 V CB 1.996 33.682 31.823 -0.228 0.000 0.986 705 V HN 1.016 nan 8.190 nan 0.000 0.447 706 T N 0.651 115.211 114.554 0.010 0.000 2.875 706 T HA 0.603 4.951 4.350 -0.003 0.000 0.284 706 T C -0.222 174.596 174.700 0.196 0.000 0.995 706 T CA -0.509 61.654 62.100 0.105 0.000 1.060 706 T CB 1.618 70.554 68.868 0.114 0.000 0.967 706 T HN 0.686 nan 8.240 nan 0.000 0.476 707 T N 0.411 115.128 114.554 0.272 0.000 2.900 707 T HA 0.523 4.871 4.350 -0.003 0.000 0.295 707 T C 1.152 176.020 174.700 0.279 0.000 1.044 707 T CA -0.185 62.088 62.100 0.288 0.000 0.995 707 T CB 1.577 70.645 68.868 0.333 0.000 1.072 707 T HN 0.817 nan 8.240 nan 0.000 0.473 708 S N 3.396 119.219 115.700 0.206 0.000 2.460 708 S HA 0.204 4.672 4.470 -0.003 0.000 0.226 708 S C 0.885 175.568 174.600 0.139 0.000 1.057 708 S CA -0.214 58.073 58.200 0.144 0.000 0.948 708 S CB -0.060 63.197 63.200 0.094 0.000 0.822 708 S HN 0.673 nan 8.310 nan 0.000 0.512 709 R N 1.133 121.717 120.500 0.141 0.000 3.570 709 R HA 0.359 4.698 4.340 -0.003 0.000 0.233 709 R C -1.338 175.063 176.300 0.169 0.000 1.492 709 R CA -0.393 55.780 56.100 0.122 0.000 1.504 709 R CB -0.255 30.084 30.300 0.066 0.000 1.314 709 R HN 0.385 nan 8.270 nan 0.000 0.687 710 F N 2.162 122.151 119.950 0.066 0.000 2.462 710 F HA 0.097 4.623 4.527 -0.003 0.000 0.360 710 F C -0.192 175.648 175.800 0.066 0.000 1.134 710 F CA 0.287 58.337 58.000 0.083 0.000 1.148 710 F CB 0.441 39.480 39.000 0.066 0.000 1.147 710 F HN 0.220 nan 8.300 nan 0.000 0.550 711 S N 5.163 120.750 115.700 -0.190 0.000 2.697 711 S HA 0.305 4.773 4.470 -0.003 0.000 0.289 711 S C 0.654 175.155 174.600 -0.164 0.000 1.149 711 S CA -1.149 56.999 58.200 -0.086 0.000 0.850 711 S CB 1.920 65.105 63.200 -0.025 0.000 1.151 711 S HN 0.693 nan 8.310 nan 0.000 0.491 712 K N 0.631 121.003 120.400 -0.047 0.000 2.025 712 K HA -0.120 4.198 4.320 -0.003 0.000 0.207 712 K C 2.043 178.629 176.600 -0.024 0.000 1.049 712 K CA 1.305 57.578 56.287 -0.022 0.000 0.933 712 K CB -0.269 32.253 32.500 0.037 0.000 0.714 712 K HN 0.652 nan 8.250 nan 0.000 0.438 713 Q N 0.486 120.277 119.800 -0.015 0.000 2.173 713 Q HA -0.174 4.164 4.340 -0.003 0.000 0.208 713 Q C 1.841 177.828 176.000 -0.021 0.000 0.989 713 Q CA 1.890 57.685 55.803 -0.013 0.000 0.872 713 Q CB 0.113 28.840 28.738 -0.017 0.000 0.909 713 Q HN 0.261 nan 8.270 nan 0.000 0.420 714 V N -0.445 119.443 119.914 -0.044 0.000 2.599 714 V HA -0.140 3.979 4.120 -0.003 0.000 0.245 714 V C 2.243 178.387 176.094 0.084 0.000 1.046 714 V CA 1.727 64.021 62.300 -0.010 0.000 1.065 714 V CB -0.523 31.291 31.823 -0.016 0.000 0.703 714 V HN 0.353 nan 8.190 nan 0.000 0.464 715 T N 0.168 114.700 114.554 -0.036 0.000 2.665 715 T HA -0.229 4.120 4.350 -0.003 0.000 0.268 715 T C 1.629 176.402 174.700 0.121 0.000 1.035 715 T CA 1.996 64.130 62.100 0.056 0.000 1.151 715 T CB -0.369 68.467 68.868 -0.053 0.000 0.862 715 T HN 0.446 nan 8.240 nan 0.000 0.438 716 D N -0.260 120.169 120.400 0.048 0.000 2.144 716 D HA -0.059 4.580 4.640 -0.003 0.000 0.199 716 D C 1.637 177.915 176.300 -0.038 0.000 0.984 716 D CA 0.719 54.724 54.000 0.008 0.000 0.834 716 D CB -0.424 40.378 40.800 0.004 0.000 0.955 716 D HN 0.471 nan 8.370 nan 0.000 0.465 717 Y N 0.459 120.661 120.300 -0.163 0.000 2.097 717 Y HA -0.327 4.221 4.550 -0.003 0.000 0.282 717 Y C 1.941 177.638 175.900 -0.337 0.000 1.152 717 Y CA 1.658 59.591 58.100 -0.278 0.000 1.136 717 Y CB -0.626 37.598 38.460 -0.393 0.000 0.975 717 Y HN -0.029 nan 8.280 nan 0.000 0.498 718 Y N 0.564 120.723 120.300 -0.236 0.000 2.314 718 Y HA -0.191 4.357 4.550 -0.003 0.000 0.293 718 Y C 2.680 178.130 175.900 -0.751 0.000 1.129 718 Y CA 1.505 59.324 58.100 -0.469 0.000 1.201 718 Y CB -0.898 37.419 38.460 -0.238 0.000 0.999 718 Y HN 0.404 nan 8.280 nan 0.000 0.541 719 Q N -0.323 119.144 119.800 -0.556 0.000 2.124 719 Q HA -0.161 4.178 4.340 -0.003 0.000 0.202 719 Q C 2.301 177.985 176.000 -0.528 0.000 0.977 719 Q CA 2.214 57.639 55.803 -0.630 0.000 0.850 719 Q CB -0.878 27.749 28.738 -0.185 0.000 0.901 719 Q HN 0.204 nan 8.270 nan 0.000 0.429 720 S N -0.182 115.260 115.700 -0.430 0.000 2.353 720 S HA -0.100 4.369 4.470 -0.003 0.000 0.222 720 S C 1.890 176.244 174.600 -0.410 0.000 1.035 720 S CA 1.375 59.330 58.200 -0.408 0.000 1.025 720 S CB -0.449 62.561 63.200 -0.317 0.000 0.902 720 S HN 0.512 nan 8.310 nan 0.000 0.440 721 I N 0.055 120.367 120.570 -0.431 0.000 2.208 721 I HA -0.186 3.982 4.170 -0.003 0.000 0.245 721 I C 2.277 178.315 176.117 -0.132 0.000 1.097 721 I CA 1.768 62.909 61.300 -0.265 0.000 1.363 721 I CB -0.512 37.263 38.000 -0.375 0.000 1.051 721 I HN 0.452 nan 8.210 nan 0.000 0.413 722 Y N 1.588 121.685 120.300 -0.339 0.000 2.200 722 Y HA -0.162 4.387 4.550 -0.003 0.000 0.290 722 Y C 2.456 178.194 175.900 -0.269 0.000 1.137 722 Y CA 1.443 59.392 58.100 -0.252 0.000 1.163 722 Y CB -0.247 38.009 38.460 -0.341 0.000 0.988 722 Y HN 0.107 nan 8.280 nan 0.000 0.518 723 A N -0.530 121.973 122.820 -0.528 0.000 2.209 723 A HA -0.059 4.260 4.320 -0.003 0.000 0.212 723 A C 2.105 179.430 177.584 -0.431 0.000 1.158 723 A CA 1.291 52.910 52.037 -0.697 0.000 0.742 723 A CB -0.540 17.729 19.000 -1.218 0.000 0.790 723 A HN 0.513 nan 8.150 nan 0.000 0.472 724 K N -2.173 117.945 120.400 -0.469 0.000 2.262 724 K HA 0.093 4.411 4.320 -0.003 0.000 0.200 724 K C 0.697 176.901 176.600 -0.660 0.000 1.058 724 K CA 0.742 56.667 56.287 -0.602 0.000 0.974 724 K CB 0.135 32.130 32.500 -0.841 0.000 0.910 724 K HN 0.456 nan 8.250 nan 0.000 0.484 725 Y N -0.463 119.713 120.300 -0.206 0.000 2.453 725 Y HA 0.322 4.870 4.550 -0.003 0.000 0.247 725 Y C 0.794 176.571 175.900 -0.206 0.000 1.124 725 Y CA -0.441 57.573 58.100 -0.145 0.000 1.243 725 Y CB 0.748 39.159 38.460 -0.082 0.000 1.213 725 Y HN -0.015 nan 8.280 nan 0.000 0.523 726 G N 1.749 110.337 108.800 -0.353 0.000 2.428 726 G HA2 0.336 4.294 3.960 -0.003 0.000 0.290 726 G HA3 0.336 4.294 3.960 -0.003 0.000 0.290 726 G C 0.368 175.102 174.900 -0.277 0.000 0.996 726 G CA 0.270 44.983 45.100 -0.645 0.000 1.406 726 G HN 0.358 nan 8.290 nan 0.000 0.445 727 A N 3.233 126.018 122.820 -0.059 0.000 2.327 727 A HA 0.567 4.886 4.320 -0.003 0.000 0.255 727 A C 0.915 178.524 177.584 0.043 0.000 1.099 727 A CA -0.528 51.516 52.037 0.011 0.000 0.801 727 A CB 0.342 19.374 19.000 0.054 0.000 1.062 727 A HN 0.869 nan 8.150 nan 0.000 0.496 728 K N 0.001 120.433 120.400 0.052 0.000 2.472 728 K HA 0.397 4.716 4.320 -0.003 0.000 0.280 728 K C 0.787 177.433 176.600 0.077 0.000 1.028 728 K CA 0.384 56.717 56.287 0.075 0.000 1.045 728 K CB -0.115 32.422 32.500 0.062 0.000 0.902 728 K HN 1.898 nan 8.250 nan 0.000 0.478 729 G N 1.597 110.459 108.800 0.103 0.000 2.176 729 G HA2 -0.338 3.620 3.960 -0.003 0.000 0.253 729 G HA3 -0.338 3.620 3.960 -0.003 0.000 0.253 729 G C 0.126 175.072 174.900 0.078 0.000 0.979 729 G CA 0.299 45.446 45.100 0.079 0.000 0.641 729 G HN 1.059 nan 8.290 nan 0.000 0.530 730 S N -0.876 114.910 115.700 0.143 0.000 2.652 730 S HA 0.814 5.283 4.470 -0.003 0.000 0.270 730 S C -0.100 174.678 174.600 0.297 0.000 1.243 730 S CA 0.610 58.920 58.200 0.185 0.000 0.999 730 S CB 2.526 65.859 63.200 0.223 0.000 0.973 730 S HN 1.738 nan 8.310 nan 0.000 0.544 731 T N 1.261 115.977 114.554 0.271 0.000 3.435 731 T HA 0.381 4.729 4.350 -0.003 0.000 0.344 731 T C -1.553 173.286 174.700 0.231 0.000 1.211 731 T CA -0.773 61.471 62.100 0.241 0.000 1.104 731 T CB 0.763 69.781 68.868 0.251 0.000 1.196 731 T HN 0.778 nan 8.240 nan 0.000 0.471 732 L N 6.171 127.467 121.223 0.122 0.000 2.322 732 L HA 0.710 5.048 4.340 -0.003 0.000 0.281 732 L C -1.026 175.978 176.870 0.223 0.000 1.014 732 L CA -1.100 53.852 54.840 0.186 0.000 0.815 732 L CB 1.228 43.380 42.059 0.155 0.000 1.247 732 L HN 0.724 nan 8.230 nan 0.000 0.421 733 I N 5.413 126.097 120.570 0.189 0.000 2.439 733 I HA 0.282 4.451 4.170 -0.003 0.000 0.283 733 I C -0.550 175.625 176.117 0.098 0.000 1.023 733 I CA -0.703 60.668 61.300 0.119 0.000 1.100 733 I CB 2.051 40.085 38.000 0.056 0.000 1.238 733 I HN 0.208 nan 8.210 nan 0.000 0.445 734 V N 7.071 127.056 119.914 0.117 0.000 2.383 734 V HA 0.416 4.534 4.120 -0.003 0.000 0.275 734 V C 0.118 176.332 176.094 0.200 0.000 1.036 734 V CA -0.590 61.772 62.300 0.103 0.000 0.889 734 V CB 1.611 33.505 31.823 0.119 0.000 0.985 734 V HN 0.535 nan 8.190 nan 0.000 0.459 735 V N 3.834 123.858 119.914 0.184 0.000 2.823 735 V HA 0.791 4.909 4.120 -0.003 0.000 0.312 735 V C -2.869 173.364 176.094 0.231 0.000 1.072 735 V CA -2.858 59.536 62.300 0.156 0.000 0.937 735 V CB 2.190 34.142 31.823 0.216 0.000 1.013 735 V HN 0.652 nan 8.190 nan 0.000 0.430 736 P HA 0.570 nan 4.420 nan 0.000 0.279 736 P C -1.282 176.212 177.300 0.323 0.000 1.239 736 P CA 0.040 63.201 63.100 0.101 0.000 0.789 736 P CB 0.543 32.051 31.700 -0.320 0.000 0.933 737 F N 1.523 121.540 119.950 0.111 0.000 2.688 737 F HA 0.413 4.939 4.527 -0.003 0.000 0.308 737 F C -1.744 174.089 175.800 0.054 0.000 1.117 737 F CA -0.664 57.395 58.000 0.099 0.000 0.976 737 F CB 1.823 40.867 39.000 0.072 0.000 1.291 737 F HN 0.282 nan 8.300 nan 0.000 0.439 738 N N 4.788 122.946 118.700 -0.903 0.000 2.617 738 N HA 0.128 4.866 4.740 -0.003 0.000 0.263 738 N C -0.167 174.727 175.510 -1.027 0.000 1.074 738 N CA -0.207 52.425 53.050 -0.696 0.000 0.841 738 N CB 1.591 39.880 38.487 -0.329 0.000 1.221 738 N HN 0.938 nan 8.380 nan 0.000 0.529 739 Q N 2.326 121.623 119.800 -0.839 0.000 2.508 739 Q HA -0.034 4.304 4.340 -0.003 0.000 0.214 739 Q C 1.458 177.245 176.000 -0.356 0.000 0.979 739 Q CA 1.429 56.933 55.803 -0.499 0.000 0.911 739 Q CB 0.084 28.788 28.738 -0.058 0.000 0.969 739 Q HN 0.809 nan 8.270 nan 0.000 0.504 740 G N -0.533 108.046 108.800 -0.369 0.000 2.623 740 G HA2 -0.066 3.892 3.960 -0.003 0.000 0.214 740 G HA3 -0.066 3.892 3.960 -0.003 0.000 0.214 740 G C 0.331 175.112 174.900 -0.199 0.000 1.138 740 G CA 0.138 45.029 45.100 -0.348 0.000 0.794 740 G HN 0.248 nan 8.290 nan 0.000 0.535 741 S N 0.062 115.629 115.700 -0.221 0.000 2.475 741 S HA 0.279 4.748 4.470 -0.003 0.000 0.281 741 S C 1.396 175.921 174.600 -0.126 0.000 1.198 741 S CA -0.562 57.543 58.200 -0.158 0.000 1.063 741 S CB 1.353 64.455 63.200 -0.163 0.000 0.972 741 S HN 0.247 nan 8.310 nan 0.000 0.486 742 K N 3.606 123.963 120.400 -0.072 0.000 2.063 742 K HA -0.145 4.173 4.320 -0.003 0.000 0.208 742 K C 1.711 178.294 176.600 -0.029 0.000 1.048 742 K CA 1.684 57.946 56.287 -0.041 0.000 0.928 742 K CB -0.157 32.333 32.500 -0.017 0.000 0.713 742 K HN 0.777 nan 8.250 nan 0.000 0.442 743 Q N 0.119 119.902 119.800 -0.028 0.000 2.167 743 Q HA -0.157 4.182 4.340 -0.003 0.000 0.202 743 Q C 1.595 177.602 176.000 0.012 0.000 0.970 743 Q CA 1.428 57.228 55.803 -0.005 0.000 0.855 743 Q CB -0.018 28.718 28.738 -0.003 0.000 0.911 743 Q HN 0.306 nan 8.270 nan 0.000 0.438 744 D N -0.067 120.326 120.400 -0.013 0.000 2.117 744 D HA -0.102 4.537 4.640 -0.003 0.000 0.198 744 D C 1.957 178.362 176.300 0.175 0.000 0.982 744 D CA 0.696 54.717 54.000 0.034 0.000 0.828 744 D CB -0.033 40.659 40.800 -0.180 0.000 0.967 744 D HN -0.013 nan 8.370 nan 0.000 0.464 745 V N 0.965 120.964 119.914 0.142 0.000 2.255 745 V HA -0.261 3.857 4.120 -0.003 0.000 0.247 745 V C 2.261 178.376 176.094 0.035 0.000 1.051 745 V CA 1.809 64.223 62.300 0.190 0.000 1.018 745 V CB -0.476 31.399 31.823 0.088 0.000 0.641 745 V HN 0.226 nan 8.190 nan 0.000 0.445 746 E N 0.038 120.240 120.200 0.004 0.000 2.051 746 E HA -0.189 4.160 4.350 -0.003 0.000 0.192 746 E C 2.341 178.923 176.600 -0.031 0.000 0.991 746 E CA 1.296 57.684 56.400 -0.021 0.000 0.799 746 E CB -0.371 29.322 29.700 -0.012 0.000 0.748 746 E HN 0.590 nan 8.360 nan 0.000 0.449 747 A N 1.374 124.179 122.820 -0.025 0.000 1.933 747 A HA -0.177 4.141 4.320 -0.003 0.000 0.218 747 A C 2.130 179.559 177.584 -0.260 0.000 1.175 747 A CA 0.959 52.986 52.037 -0.017 0.000 0.628 747 A CB -0.584 18.501 19.000 0.142 0.000 0.814 747 A HN 0.253 nan 8.150 nan 0.000 0.444 748 L N -0.053 120.847 121.223 -0.538 0.000 1.973 748 L HA -0.124 4.214 4.340 -0.003 0.000 0.208 748 L C 2.457 179.183 176.870 -0.240 0.000 1.073 748 L CA 2.258 56.624 54.840 -0.790 0.000 0.746 748 L CB -0.365 41.246 42.059 -0.747 0.000 0.891 748 L HN 0.608 nan 8.230 nan 0.000 0.433 749 I N -2.822 117.664 120.570 -0.139 0.000 3.334 749 I HA -0.131 4.037 4.170 -0.003 0.000 0.282 749 I C 1.859 178.031 176.117 0.091 0.000 1.313 749 I CA 1.056 62.359 61.300 0.005 0.000 1.396 749 I CB -0.316 37.683 38.000 -0.002 0.000 1.054 749 I HN 0.302 nan 8.210 nan 0.000 0.495 750 E N 0.785 121.014 120.200 0.049 0.000 2.102 750 E HA -0.106 4.242 4.350 -0.003 0.000 0.190 750 E C 1.802 178.486 176.600 0.139 0.000 0.971 750 E CA 0.886 57.337 56.400 0.085 0.000 0.821 750 E CB -0.216 29.523 29.700 0.065 0.000 0.777 750 E HN 0.650 nan 8.360 nan 0.000 0.460 751 F N 1.704 121.662 119.950 0.013 0.000 2.333 751 F HA -0.104 4.421 4.527 -0.003 0.000 0.300 751 F C 1.821 177.598 175.800 -0.039 0.000 1.083 751 F CA 0.939 58.961 58.000 0.036 0.000 1.395 751 F CB -0.000 39.108 39.000 0.181 0.000 1.056 751 F HN -0.099 nan 8.300 nan 0.000 0.529 752 I N -1.036 119.427 120.570 -0.178 0.000 2.333 752 I HA -0.261 3.907 4.170 -0.003 0.000 0.246 752 I C 1.569 177.510 176.117 -0.294 0.000 1.106 752 I CA 1.185 62.286 61.300 -0.332 0.000 1.411 752 I CB -0.475 37.484 38.000 -0.068 0.000 1.082 752 I HN 0.092 nan 8.210 nan 0.000 0.420 753 Y N 0.095 120.304 120.300 -0.153 0.000 2.510 753 Y HA 0.060 4.609 4.550 -0.003 0.000 0.273 753 Y C 0.920 176.757 175.900 -0.105 0.000 1.119 753 Y CA -0.042 58.000 58.100 -0.097 0.000 1.286 753 Y CB -0.046 38.380 38.460 -0.056 0.000 1.061 753 Y HN 0.017 nan 8.280 nan 0.000 0.542 754 D N 0.719 121.116 120.400 -0.004 0.000 2.389 754 D HA 0.006 4.644 4.640 -0.003 0.000 0.247 754 D C 0.297 176.549 176.300 -0.080 0.000 1.128 754 D CA 0.128 54.116 54.000 -0.019 0.000 0.884 754 D CB 0.808 41.608 40.800 0.002 0.000 1.194 754 D HN 0.152 nan 8.370 nan 0.000 0.441 755 T N 0.858 115.387 114.554 -0.042 0.000 2.939 755 T HA -0.038 4.311 4.350 -0.003 0.000 0.319 755 T C 1.274 175.934 174.700 -0.067 0.000 1.082 755 T CA 0.088 62.159 62.100 -0.050 0.000 1.133 755 T CB 0.532 69.387 68.868 -0.022 0.000 1.019 755 T HN 0.420 nan 8.240 nan 0.000 0.548 756 E N 1.434 121.589 120.200 -0.073 0.000 2.118 756 E HA -0.205 4.143 4.350 -0.003 0.000 0.195 756 E C 2.140 178.718 176.600 -0.037 0.000 0.992 756 E CA 1.455 57.811 56.400 -0.073 0.000 0.804 756 E CB -0.106 29.561 29.700 -0.056 0.000 0.741 756 E HN 0.796 nan 8.360 nan 0.000 0.458 757 K N 0.946 121.332 120.400 -0.024 0.000 2.032 757 K HA -0.134 4.185 4.320 -0.003 0.000 0.209 757 K C 1.456 178.053 176.600 -0.005 0.000 1.048 757 K CA 1.332 57.613 56.287 -0.011 0.000 0.927 757 K CB 0.054 32.550 32.500 -0.007 0.000 0.712 757 K HN 0.023 nan 8.250 nan 0.000 0.441 758 N N -0.075 118.621 118.700 -0.005 0.000 2.551 758 N HA -0.021 4.717 4.740 -0.003 0.000 0.199 758 N C 0.468 175.989 175.510 0.019 0.000 1.277 758 N CA 1.126 54.180 53.050 0.007 0.000 0.870 758 N CB 0.708 39.200 38.487 0.009 0.000 1.028 758 N HN 0.529 nan 8.380 nan 0.000 0.452 759 G N -0.374 108.434 108.800 0.014 0.000 2.141 759 G HA2 -0.213 3.746 3.960 -0.003 0.000 0.242 759 G HA3 -0.213 3.746 3.960 -0.003 0.000 0.242 759 G C 0.486 175.433 174.900 0.077 0.000 0.982 759 G CA 0.080 45.208 45.100 0.047 0.000 0.662 759 G HN 0.599 nan 8.290 nan 0.000 0.527 760 G N -1.490 107.286 108.800 -0.040 0.000 2.606 760 G HA2 0.642 4.601 3.960 -0.003 0.000 0.262 760 G HA3 0.642 4.601 3.960 -0.003 0.000 0.262 760 G C 0.737 175.343 174.900 -0.489 0.000 1.394 760 G CA 0.015 44.975 45.100 -0.234 0.000 1.044 760 G HN 0.574 nan 8.290 nan 0.000 0.553 761 L N -0.666 120.088 121.223 -0.780 0.000 2.537 761 L HA 0.342 4.680 4.340 -0.003 0.000 0.224 761 L C 2.102 178.600 176.870 -0.620 0.000 1.065 761 L CA 1.450 55.733 54.840 -0.930 0.000 0.860 761 L CB -0.005 41.197 42.059 -1.428 0.000 1.086 761 L HN 1.060 nan 8.230 nan 0.000 0.482 762 G N -1.423 107.150 108.800 -0.377 0.000 2.179 762 G HA2 -0.284 3.675 3.960 -0.003 0.000 0.257 762 G HA3 -0.284 3.675 3.960 -0.003 0.000 0.257 762 G C -0.068 174.804 174.900 -0.047 0.000 1.010 762 G CA 0.409 45.413 45.100 -0.159 0.000 0.736 762 G HN 0.146 nan 8.290 nan 0.000 0.513 763 W N -0.446 120.586 121.300 -0.447 0.000 2.353 763 W HA 0.730 5.388 4.660 -0.003 0.000 0.377 763 W C 0.033 176.053 176.519 -0.832 0.000 1.375 763 W CA -0.926 56.051 57.345 -0.613 0.000 1.503 763 W CB 0.850 30.008 29.460 -0.504 0.000 1.345 763 W HN 0.096 nan 8.180 nan 0.000 0.683 764 D N 0.300 120.350 120.400 -0.583 0.000 2.764 764 D HA 0.287 4.925 4.640 -0.003 0.000 0.227 764 D C -1.133 174.990 176.300 -0.294 0.000 1.347 764 D CA -0.305 53.343 54.000 -0.586 0.000 0.953 764 D CB 0.848 41.474 40.800 -0.290 0.000 1.476 764 D HN 0.138 nan 8.370 nan 0.000 0.585 765 L N 2.958 124.112 121.223 -0.116 0.000 2.426 765 L HA 0.274 4.612 4.340 -0.003 0.000 0.271 765 L C 0.968 177.877 176.870 0.064 0.000 1.169 765 L CA -0.014 54.847 54.840 0.036 0.000 0.836 765 L CB 0.785 42.909 42.059 0.108 0.000 1.112 765 L HN 0.479 nan 8.230 nan 0.000 0.465 766 D N 1.311 121.749 120.400 0.063 0.000 2.454 766 D HA 0.238 4.877 4.640 -0.003 0.000 0.214 766 D C 0.145 176.463 176.300 0.030 0.000 1.088 766 D CA 0.383 54.416 54.000 0.056 0.000 0.855 766 D CB 1.334 42.169 40.800 0.059 0.000 1.025 766 D HN 0.554 nan 8.370 nan 0.000 0.502 767 A N 0.795 123.619 122.820 0.006 0.000 2.520 767 A HA 0.680 4.998 4.320 -0.003 0.000 0.298 767 A C -1.282 176.283 177.584 -0.033 0.000 1.051 767 A CA -0.513 51.506 52.037 -0.029 0.000 0.690 767 A CB 1.508 20.455 19.000 -0.088 0.000 1.281 767 A HN 0.015 nan 8.150 nan 0.000 0.402 768 I N 2.028 122.576 120.570 -0.037 0.000 2.466 768 I HA 0.442 4.610 4.170 -0.003 0.000 0.289 768 I C -0.997 175.082 176.117 -0.064 0.000 1.026 768 I CA -0.266 61.008 61.300 -0.043 0.000 1.078 768 I CB 2.011 39.998 38.000 -0.020 0.000 1.249 768 I HN 0.518 nan 8.210 nan 0.000 0.429 769 I N 7.580 128.089 120.570 -0.101 0.000 2.668 769 I HA 0.270 4.438 4.170 -0.003 0.000 0.276 769 I C -2.326 173.774 176.117 -0.029 0.000 1.139 769 I CA -1.444 59.757 61.300 -0.164 0.000 1.133 769 I CB 1.197 38.934 38.000 -0.439 0.000 1.327 769 I HN 0.286 nan 8.210 nan 0.000 0.520 770 P HA 0.157 nan 4.420 nan 0.000 0.218 770 P C 0.411 177.894 177.300 0.306 0.000 1.793 770 P CA -0.098 63.101 63.100 0.165 0.000 0.941 770 P CB -0.319 31.427 31.700 0.077 0.000 1.919 771 F N 0.373 120.317 119.950 -0.011 0.000 2.811 771 F HA 0.217 4.742 4.527 -0.003 0.000 0.301 771 F C 1.560 177.370 175.800 0.017 0.000 1.151 771 F CA -1.125 56.874 58.000 -0.002 0.000 1.412 771 F CB -1.022 37.978 39.000 -0.000 0.000 1.113 771 F HN 0.047 nan 8.300 nan 0.000 0.579 772 A N 0.798 123.731 122.820 0.189 0.000 2.540 772 A HA 0.518 4.836 4.320 -0.003 0.000 0.239 772 A C 0.453 178.072 177.584 0.057 0.000 1.061 772 A CA 0.736 52.847 52.037 0.123 0.000 0.758 772 A CB -0.309 18.770 19.000 0.131 0.000 0.991 772 A HN 0.385 nan 8.150 nan 0.000 0.502 773 A N 1.976 124.826 122.820 0.051 0.000 2.564 773 A HA 0.743 5.061 4.320 -0.003 0.000 0.291 773 A C -1.048 176.564 177.584 0.046 0.000 1.102 773 A CA -0.474 51.582 52.037 0.032 0.000 0.660 773 A CB 0.676 19.707 19.000 0.053 0.000 1.283 773 A HN 0.835 nan 8.150 nan 0.000 0.430 774 I N 0.981 121.588 120.570 0.063 0.000 2.545 774 I HA 0.418 4.586 4.170 -0.003 0.000 0.292 774 I C -2.515 173.659 176.117 0.095 0.000 1.040 774 I CA -2.139 59.222 61.300 0.101 0.000 1.068 774 I CB 2.725 40.824 38.000 0.165 0.000 1.251 774 I HN 0.376 nan 8.210 nan 0.000 0.424 775 P HA 0.229 nan 4.420 nan 0.000 0.280 775 P C -1.440 175.873 177.300 0.022 0.000 1.300 775 P CA -0.306 62.800 63.100 0.009 0.000 0.785 775 P CB 0.189 31.880 31.700 -0.015 0.000 0.874 776 E N 3.652 123.860 120.200 0.014 0.000 2.133 776 E HA 0.360 4.709 4.350 -0.003 0.000 0.274 776 E C -0.354 176.231 176.600 -0.025 0.000 0.930 776 E CA -0.851 55.563 56.400 0.024 0.000 0.770 776 E CB 1.234 30.983 29.700 0.083 0.000 1.104 776 E HN 0.449 nan 8.360 nan 0.000 0.403 777 Q N 1.095 120.874 119.800 -0.035 0.000 2.340 777 Q HA 0.527 4.866 4.340 -0.003 0.000 0.276 777 Q C 0.214 176.190 176.000 -0.040 0.000 1.048 777 Q CA -1.083 54.691 55.803 -0.049 0.000 0.832 777 Q CB 1.853 30.546 28.738 -0.076 0.000 1.373 777 Q HN 0.703 nan 8.270 nan 0.000 0.409 778 G N 1.971 110.758 108.800 -0.021 0.000 2.147 778 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.244 778 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.244 778 G C -0.220 174.674 174.900 -0.009 0.000 1.005 778 G CA 0.197 45.284 45.100 -0.022 0.000 0.713 778 G HN 0.608 nan 8.290 nan 0.000 0.515 779 I N 0.949 121.545 120.570 0.043 0.000 2.354 779 I HA 0.389 4.557 4.170 -0.003 0.000 0.286 779 I C 0.537 176.751 176.117 0.161 0.000 1.007 779 I CA -0.637 60.732 61.300 0.114 0.000 1.167 779 I CB 1.149 39.197 38.000 0.079 0.000 1.320 779 I HN 0.120 nan 8.210 nan 0.000 0.458 780 E N 3.144 123.498 120.200 0.256 0.000 2.504 780 E HA 0.193 4.542 4.350 -0.003 0.000 0.253 780 E C 0.722 177.332 176.600 0.018 0.000 1.151 780 E CA -0.815 55.648 56.400 0.105 0.000 0.972 780 E CB 1.301 31.041 29.700 0.068 0.000 1.247 780 E HN 0.396 nan 8.360 nan 0.000 0.519 781 L N 1.949 123.158 121.223 -0.022 0.000 1.997 781 L HA -0.280 4.058 4.340 -0.003 0.000 0.227 781 L C 2.034 178.857 176.870 -0.079 0.000 1.087 781 L CA 2.314 57.131 54.840 -0.039 0.000 0.797 781 L CB -0.760 41.273 42.059 -0.043 0.000 0.902 781 L HN 0.732 nan 8.230 nan 0.000 0.441 782 E N -2.313 117.776 120.200 -0.184 0.000 2.511 782 E HA -0.203 4.146 4.350 -0.003 0.000 0.196 782 E C 1.040 177.513 176.600 -0.213 0.000 1.066 782 E CA 0.801 57.073 56.400 -0.214 0.000 0.871 782 E CB -0.417 29.122 29.700 -0.268 0.000 0.863 782 E HN 0.702 nan 8.360 nan 0.000 0.520 783 H N 0.594 119.662 119.070 -0.002 0.000 2.648 783 H HA 0.290 4.845 4.556 -0.003 0.000 0.265 783 H C 0.682 176.008 175.328 -0.003 0.000 0.961 783 H CA -0.275 55.769 56.048 -0.006 0.000 1.185 783 H CB 0.398 30.156 29.762 -0.007 0.000 1.449 783 H HN 0.138 nan 8.280 nan 0.000 0.523 784 I N 2.547 123.172 120.570 0.092 0.000 2.845 784 I HA -0.130 4.039 4.170 -0.003 0.000 0.290 784 I C 0.571 176.718 176.117 0.050 0.000 1.202 784 I CA 0.998 62.336 61.300 0.063 0.000 1.406 784 I CB 0.125 38.142 38.000 0.027 0.000 1.383 784 I HN 0.172 nan 8.210 nan 0.000 0.549 785 D N 2.898 123.335 120.400 0.062 0.000 3.798 785 D HA 0.139 4.777 4.640 -0.003 0.000 0.296 785 D C 1.055 177.411 176.300 0.093 0.000 1.489 785 D CA -0.236 53.795 54.000 0.052 0.000 0.988 785 D CB 0.755 41.577 40.800 0.038 0.000 1.360 785 D HN 0.232 nan 8.370 nan 0.000 0.641 786 S N -0.386 115.374 115.700 0.099 0.000 2.372 786 S HA -0.236 4.232 4.470 -0.003 0.000 0.227 786 S C 1.724 176.540 174.600 0.361 0.000 1.044 786 S CA 2.535 60.853 58.200 0.196 0.000 1.050 786 S CB -0.311 62.999 63.200 0.184 0.000 0.901 786 S HN 0.361 nan 8.310 nan 0.000 0.447 787 K N 0.252 120.824 120.400 0.286 0.000 2.002 787 K HA -0.060 4.258 4.320 -0.003 0.000 0.209 787 K C 2.224 179.071 176.600 0.411 0.000 1.048 787 K CA 1.847 58.396 56.287 0.436 0.000 0.930 787 K CB -0.407 32.102 32.500 0.015 0.000 0.714 787 K HN 0.382 nan 8.250 nan 0.000 0.438 788 S N 0.709 116.556 115.700 0.245 0.000 2.399 788 S HA -0.172 4.297 4.470 -0.003 0.000 0.231 788 S C 1.816 176.561 174.600 0.242 0.000 1.022 788 S CA 1.494 59.821 58.200 0.211 0.000 0.983 788 S CB -0.230 63.049 63.200 0.132 0.000 0.803 788 S HN 0.445 nan 8.310 nan 0.000 0.480 789 E N 0.337 120.692 120.200 0.258 0.000 2.106 789 E HA -0.130 4.219 4.350 -0.003 0.000 0.192 789 E C 1.759 178.628 176.600 0.447 0.000 0.984 789 E CA 0.767 57.324 56.400 0.262 0.000 0.806 789 E CB -0.165 29.621 29.700 0.143 0.000 0.750 789 E HN 0.497 nan 8.360 nan 0.000 0.458 790 F N 1.078 121.291 119.950 0.438 0.000 2.113 790 F HA -0.052 4.473 4.527 -0.003 0.000 0.297 790 F C 2.023 177.927 175.800 0.173 0.000 1.103 790 F CA 1.527 59.734 58.000 0.346 0.000 1.248 790 F CB -0.621 38.506 39.000 0.212 0.000 0.999 790 F HN 0.084 nan 8.300 nan 0.000 0.475 791 A N -0.455 122.456 122.820 0.151 0.000 1.908 791 A HA -0.284 4.035 4.320 -0.003 0.000 0.218 791 A C 2.379 179.960 177.584 -0.005 0.000 1.181 791 A CA 1.894 53.944 52.037 0.020 0.000 0.627 791 A CB -1.589 17.517 19.000 0.178 0.000 0.818 791 A HN 0.675 nan 8.150 nan 0.000 0.445 792 H N -0.641 118.430 119.070 0.003 0.000 2.422 792 H HA -0.122 4.432 4.556 -0.003 0.000 0.298 792 H C 2.356 177.648 175.328 -0.060 0.000 1.098 792 H CA 1.754 57.793 56.048 -0.015 0.000 1.315 792 H CB 0.041 29.818 29.762 0.025 0.000 1.382 792 H HN 0.534 nan 8.280 nan 0.000 0.523 793 R N 0.383 120.844 120.500 -0.065 0.000 2.066 793 R HA -0.067 4.272 4.340 -0.003 0.000 0.232 793 R C 2.546 178.685 176.300 -0.269 0.000 1.131 793 R CA 1.396 57.409 56.100 -0.145 0.000 0.955 793 R CB -0.136 30.127 30.300 -0.061 0.000 0.851 793 R HN 0.274 nan 8.270 nan 0.000 0.432 794 I N 0.234 120.571 120.570 -0.388 0.000 2.286 794 I HA -0.259 3.910 4.170 -0.003 0.000 0.248 794 I C 2.026 178.017 176.117 -0.209 0.000 1.115 794 I CA 1.352 62.454 61.300 -0.331 0.000 1.392 794 I CB -0.023 37.746 38.000 -0.385 0.000 1.065 794 I HN 0.280 nan 8.210 nan 0.000 0.418 795 M N -1.011 118.464 119.600 -0.208 0.000 2.502 795 M HA 0.077 4.555 4.480 -0.003 0.000 0.243 795 M C 1.355 177.514 176.300 -0.235 0.000 1.130 795 M CA 0.678 55.872 55.300 -0.176 0.000 1.055 795 M CB 0.627 33.152 32.600 -0.126 0.000 1.457 795 M HN 0.282 nan 8.290 nan 0.000 0.488 796 L N -1.688 119.349 121.223 -0.311 0.000 2.681 796 L HA 0.171 4.509 4.340 -0.003 0.000 0.163 796 L C 2.077 178.797 176.870 -0.250 0.000 1.188 796 L CA 1.100 55.743 54.840 -0.328 0.000 0.944 796 L CB -0.714 41.021 42.059 -0.539 0.000 1.835 796 L HN 0.098 nan 8.230 nan 0.000 0.510 797 T N -0.674 113.725 114.554 -0.259 0.000 2.684 797 T HA -0.147 4.202 4.350 -0.003 0.000 0.267 797 T C 1.604 176.233 174.700 -0.120 0.000 1.036 797 T CA 2.158 64.169 62.100 -0.148 0.000 1.148 797 T CB -0.494 68.327 68.868 -0.079 0.000 0.863 797 T HN 0.414 nan 8.240 nan 0.000 0.436 798 N N 0.868 119.492 118.700 -0.127 0.000 2.396 798 N HA 0.170 4.908 4.740 -0.003 0.000 0.180 798 N C 1.867 177.326 175.510 -0.085 0.000 1.028 798 N CA 0.648 53.639 53.050 -0.098 0.000 0.893 798 N CB -0.374 38.049 38.487 -0.107 0.000 0.967 798 N HN 0.526 nan 8.380 nan 0.000 0.440 799 I N 0.536 121.043 120.570 -0.105 0.000 2.252 799 I HA -0.223 3.945 4.170 -0.003 0.000 0.245 799 I C 1.942 177.983 176.117 -0.126 0.000 1.102 799 I CA 0.756 61.998 61.300 -0.097 0.000 1.385 799 I CB -0.128 37.808 38.000 -0.106 0.000 1.064 799 I HN 0.083 nan 8.210 nan 0.000 0.414 800 L N 0.085 121.222 121.223 -0.144 0.000 1.989 800 L HA -0.246 4.092 4.340 -0.003 0.000 0.211 800 L C 2.788 179.557 176.870 -0.170 0.000 1.071 800 L CA 1.491 56.227 54.840 -0.172 0.000 0.749 800 L CB -0.681 41.291 42.059 -0.144 0.000 0.890 800 L HN 0.187 nan 8.230 nan 0.000 0.431 801 R N -0.473 119.953 120.500 -0.123 0.000 2.117 801 R HA -0.233 4.106 4.340 -0.003 0.000 0.243 801 R C 2.297 178.534 176.300 -0.104 0.000 1.143 801 R CA 1.908 57.946 56.100 -0.103 0.000 0.968 801 R CB -0.281 29.977 30.300 -0.071 0.000 0.863 801 R HN 0.349 nan 8.270 nan 0.000 0.444 802 M N 0.028 119.573 119.600 -0.092 0.000 2.099 802 M HA -0.159 4.319 4.480 -0.003 0.000 0.262 802 M C 2.094 178.324 176.300 -0.117 0.000 1.067 802 M CA 1.585 56.837 55.300 -0.080 0.000 1.124 802 M CB 0.104 32.676 32.600 -0.047 0.000 1.353 802 M HN 0.084 nan 8.290 nan 0.000 0.410 803 M N -0.708 118.794 119.600 -0.163 0.000 2.086 803 M HA -0.088 4.391 4.480 -0.003 0.000 0.261 803 M C 2.278 178.426 176.300 -0.253 0.000 1.067 803 M CA 1.812 56.980 55.300 -0.220 0.000 1.116 803 M CB -1.561 30.835 32.600 -0.340 0.000 1.348 803 M HN 0.493 nan 8.290 nan 0.000 0.407 804 G N 0.246 108.882 108.800 -0.273 0.000 2.476 804 G HA2 -0.243 3.716 3.960 -0.003 0.000 0.218 804 G HA3 -0.243 3.716 3.960 -0.003 0.000 0.218 804 G C 1.595 176.393 174.900 -0.170 0.000 1.164 804 G CA 1.259 46.215 45.100 -0.240 0.000 0.768 804 G HN 0.476 nan 8.290 nan 0.000 0.560 805 C N 0.016 119.229 119.300 -0.145 0.000 2.413 805 C HA -0.059 4.400 4.460 -0.003 0.000 0.276 805 C C 3.267 178.146 174.990 -0.184 0.000 1.236 805 C CA 1.381 60.316 59.018 -0.138 0.000 1.735 805 C CB -0.907 26.768 27.740 -0.108 0.000 2.031 805 C HN 0.443 nan 8.230 nan 0.000 0.474 806 V N 0.153 119.966 119.914 -0.168 0.000 2.809 806 V HA -0.088 4.030 4.120 -0.003 0.000 0.256 806 V C 2.371 178.350 176.094 -0.191 0.000 1.080 806 V CA 2.014 64.187 62.300 -0.212 0.000 1.102 806 V CB -0.764 31.035 31.823 -0.039 0.000 0.705 806 V HN 0.473 nan 8.190 nan 0.000 0.475 807 K N 1.275 121.595 120.400 -0.134 0.000 2.026 807 K HA -0.184 4.134 4.320 -0.003 0.000 0.208 807 K C 2.171 178.712 176.600 -0.098 0.000 1.048 807 K CA 2.191 58.431 56.287 -0.079 0.000 0.929 807 K CB -0.296 32.161 32.500 -0.073 0.000 0.713 807 K HN 0.610 nan 8.250 nan 0.000 0.439 808 K N 0.278 120.600 120.400 -0.129 0.000 2.057 808 K HA -0.143 4.176 4.320 -0.003 0.000 0.207 808 K C 2.296 178.801 176.600 -0.158 0.000 1.049 808 K CA 1.213 57.429 56.287 -0.118 0.000 0.931 808 K CB -0.061 32.373 32.500 -0.110 0.000 0.714 808 K HN 0.153 nan 8.250 nan 0.000 0.440 809 Q N 1.312 120.944 119.800 -0.280 0.000 2.002 809 Q HA -0.170 4.169 4.340 -0.003 0.000 0.204 809 Q C 2.045 177.886 176.000 -0.265 0.000 0.988 809 Q CA 1.626 57.184 55.803 -0.407 0.000 0.843 809 Q CB -0.279 27.838 28.738 -1.036 0.000 0.908 809 Q HN 0.319 nan 8.270 nan 0.000 0.420 810 K N 0.301 120.566 120.400 -0.226 0.000 2.009 810 K HA -0.098 4.220 4.320 -0.003 0.000 0.210 810 K C 2.440 179.028 176.600 -0.020 0.000 1.049 810 K CA 1.504 57.772 56.287 -0.033 0.000 0.929 810 K CB -0.188 32.325 32.500 0.022 0.000 0.714 810 K HN 0.014 nan 8.250 nan 0.000 0.440 811 S N 0.594 116.272 115.700 -0.035 0.000 2.370 811 S HA -0.154 4.314 4.470 -0.003 0.000 0.226 811 S C 1.943 176.530 174.600 -0.021 0.000 1.033 811 S CA 1.307 59.496 58.200 -0.018 0.000 1.011 811 S CB -0.214 62.976 63.200 -0.016 0.000 0.852 811 S HN 0.459 nan 8.310 nan 0.000 0.457 812 A N 0.389 123.185 122.820 -0.040 0.000 2.248 812 A HA 0.070 4.388 4.320 -0.003 0.000 0.210 812 A C 1.840 179.415 177.584 -0.014 0.000 1.174 812 A CA 0.807 52.826 52.037 -0.031 0.000 0.750 812 A CB -0.177 18.795 19.000 -0.046 0.000 0.780 812 A HN 0.375 nan 8.150 nan 0.000 0.478 813 R N -1.853 118.644 120.500 -0.005 0.000 2.565 813 R HA 0.256 4.594 4.340 -0.003 0.000 0.347 813 R C 1.037 177.347 176.300 0.018 0.000 1.010 813 R CA 0.480 56.589 56.100 0.015 0.000 1.126 813 R CB 0.320 30.645 30.300 0.042 0.000 1.331 813 R HN 0.550 nan 8.270 nan 0.000 0.552 814 G N 1.727 110.533 108.800 0.011 0.000 2.203 814 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.263 814 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.263 814 G C 0.206 175.119 174.900 0.020 0.000 1.012 814 G CA 0.060 45.167 45.100 0.012 0.000 0.749 814 G HN 0.325 nan 8.290 nan 0.000 0.512 815 I N 0.329 120.917 120.570 0.029 0.000 2.278 815 I HA 0.198 4.366 4.170 -0.003 0.000 0.300 815 I C 1.247 177.389 176.117 0.042 0.000 1.174 815 I CA 0.091 61.416 61.300 0.042 0.000 1.347 815 I CB 0.666 38.706 38.000 0.068 0.000 1.473 815 I HN 0.107 nan 8.210 nan 0.000 0.595 816 E N 1.982 122.202 120.200 0.033 0.000 2.476 816 E HA 0.020 4.368 4.350 -0.003 0.000 0.199 816 E C 0.915 177.538 176.600 0.038 0.000 1.021 816 E CA 0.311 56.729 56.400 0.030 0.000 0.907 816 E CB 0.514 30.224 29.700 0.016 0.000 0.974 816 E HN 0.569 nan 8.360 nan 0.000 0.489 817 T N -1.820 112.760 114.554 0.043 0.000 3.331 817 T HA 0.376 4.724 4.350 -0.003 0.000 0.282 817 T C 0.356 175.090 174.700 0.056 0.000 1.010 817 T CA -0.587 61.541 62.100 0.048 0.000 0.928 817 T CB 0.048 68.939 68.868 0.038 0.000 1.154 817 T HN -0.114 nan 8.240 nan 0.000 0.516 818 R N 1.592 122.131 120.500 0.066 0.000 2.754 818 R HA 0.333 4.671 4.340 -0.003 0.000 0.255 818 R C -3.336 173.019 176.300 0.091 0.000 1.723 818 R CA -1.380 54.763 56.100 0.071 0.000 1.596 818 R CB 1.006 31.340 30.300 0.057 0.000 1.424 818 R HN 0.149 nan 8.270 nan 0.000 0.662 819 P HA 0.122 nan 4.420 nan 0.000 0.272 819 P C -1.007 176.366 177.300 0.123 0.000 1.223 819 P CA -0.150 63.032 63.100 0.138 0.000 0.784 819 P CB 1.210 33.013 31.700 0.171 0.000 0.923 820 A N 2.234 125.134 122.820 0.132 0.000 2.274 820 A HA 0.300 4.619 4.320 -0.003 0.000 0.309 820 A C -0.071 177.575 177.584 0.102 0.000 1.226 820 A CA -0.513 51.586 52.037 0.104 0.000 0.853 820 A CB 0.107 19.168 19.000 0.101 0.000 1.146 820 A HN 0.545 nan 8.150 nan 0.000 0.518 821 Q N 1.949 121.788 119.800 0.066 0.000 2.286 821 Q HA 0.454 4.793 4.340 -0.003 0.000 0.257 821 Q C -1.219 174.794 176.000 0.023 0.000 0.941 821 Q CA -0.203 55.628 55.803 0.047 0.000 0.912 821 Q CB 0.835 29.586 28.738 0.022 0.000 1.192 821 Q HN 0.522 nan 8.270 nan 0.000 0.410 822 V N 6.277 126.206 119.914 0.025 0.000 2.328 822 V HA 0.217 4.335 4.120 -0.003 0.000 0.278 822 V C -0.049 176.040 176.094 -0.009 0.000 1.021 822 V CA -0.735 61.566 62.300 0.002 0.000 0.838 822 V CB 1.106 32.928 31.823 -0.001 0.000 0.999 822 V HN 0.697 nan 8.190 nan 0.000 0.447 823 I N 5.818 126.389 120.570 0.002 0.000 2.311 823 I HA 0.159 4.328 4.170 -0.003 0.000 0.297 823 I C 0.211 176.401 176.117 0.121 0.000 1.131 823 I CA -0.118 61.209 61.300 0.044 0.000 1.289 823 I CB 0.114 38.138 38.000 0.039 0.000 1.446 823 I HN 0.327 nan 8.210 nan 0.000 0.524 824 L N 8.866 130.102 121.223 0.022 0.000 2.410 824 L HA 0.204 4.542 4.340 -0.003 0.000 0.273 824 L C -1.962 174.892 176.870 -0.028 0.000 1.144 824 L CA -1.130 53.694 54.840 -0.027 0.000 0.863 824 L CB 0.429 42.397 42.059 -0.152 0.000 1.140 824 L HN 0.254 nan 8.230 nan 0.000 0.463 825 P HA 0.287 nan 4.420 nan 0.000 0.274 825 P C -0.291 176.866 177.300 -0.239 0.000 1.470 825 P CA -0.117 62.760 63.100 -0.372 0.000 1.001 825 P CB 0.577 31.785 31.700 -0.821 0.000 1.332 826 M N 1.267 120.779 119.600 -0.147 0.000 2.471 826 M HA 0.432 4.910 4.480 -0.003 0.000 0.309 826 M C 0.610 176.865 176.300 -0.075 0.000 1.186 826 M CA -0.261 54.987 55.300 -0.086 0.000 1.008 826 M CB 1.437 34.022 32.600 -0.025 0.000 1.551 826 M HN 0.108 nan 8.290 nan 0.000 0.477 827 S N -0.041 115.634 115.700 -0.042 0.000 2.513 827 S HA 0.596 5.064 4.470 -0.003 0.000 0.299 827 S C -2.272 172.205 174.600 -0.205 0.000 1.087 827 S CA -1.644 56.514 58.200 -0.070 0.000 1.012 827 S CB 1.244 64.436 63.200 -0.013 0.000 1.044 827 S HN 0.411 nan 8.310 nan 0.000 0.485 828 P HA 0.257 nan 4.420 nan 0.000 0.251 828 P C -0.609 176.557 177.300 -0.223 0.000 1.223 828 P CA 0.242 63.249 63.100 -0.155 0.000 0.796 828 P CB 0.073 31.765 31.700 -0.013 0.000 1.068 829 N N 0.529 119.083 118.700 -0.243 0.000 2.790 829 N HA 0.093 4.831 4.740 -0.003 0.000 0.256 829 N C -0.729 174.749 175.510 -0.053 0.000 1.409 829 N CA -0.301 52.709 53.050 -0.067 0.000 0.799 829 N CB 0.256 38.877 38.487 0.224 0.000 1.170 829 N HN 0.163 nan 8.380 nan 0.000 0.507 830 H N 0.570 119.702 119.070 0.104 0.000 3.157 830 H HA 0.134 4.688 4.556 -0.003 0.000 0.260 830 H C 1.379 176.760 175.328 0.088 0.000 1.232 830 H CA 0.154 56.255 56.048 0.087 0.000 1.488 830 H CB -0.096 29.695 29.762 0.049 0.000 1.548 830 H HN 0.728 nan 8.280 nan 0.000 0.487 831 G N 3.636 112.567 108.800 0.219 0.000 2.273 831 G HA2 -0.354 3.605 3.960 -0.003 0.000 0.280 831 G HA3 -0.354 3.605 3.960 -0.003 0.000 0.280 831 G C 1.206 176.168 174.900 0.104 0.000 1.047 831 G CA 0.827 46.025 45.100 0.164 0.000 0.869 831 G HN 0.573 nan 8.290 nan 0.000 0.502 832 T N -0.613 113.991 114.554 0.084 0.000 2.809 832 T HA 0.230 4.578 4.350 -0.003 0.000 0.260 832 T C 1.223 175.814 174.700 -0.182 0.000 1.039 832 T CA 1.100 63.142 62.100 -0.097 0.000 1.141 832 T CB -0.044 68.687 68.868 -0.228 0.000 0.869 832 T HN 0.329 nan 8.240 nan 0.000 0.437 833 F N 0.442 120.423 119.950 0.052 0.000 2.348 833 F HA 0.542 5.067 4.527 -0.003 0.000 0.308 833 F C 1.759 177.579 175.800 0.033 0.000 1.175 833 F CA -0.699 57.325 58.000 0.038 0.000 1.080 833 F CB -0.291 38.715 39.000 0.011 0.000 1.341 833 F HN 0.125 nan 8.300 nan 0.000 0.518 834 G N -0.047 108.896 108.800 0.240 0.000 2.060 834 G HA2 0.144 4.102 3.960 -0.003 0.000 0.260 834 G HA3 0.144 4.102 3.960 -0.003 0.000 0.260 834 G C 0.489 175.458 174.900 0.114 0.000 1.494 834 G CA -0.029 45.153 45.100 0.136 0.000 1.033 834 G HN 0.946 nan 8.290 nan 0.000 0.429 835 G N -0.158 108.693 108.800 0.085 0.000 2.865 835 G HA2 0.354 4.312 3.960 -0.003 0.000 0.292 835 G HA3 0.354 4.312 3.960 -0.003 0.000 0.292 835 G C 0.554 175.493 174.900 0.065 0.000 0.800 835 G CA 0.028 45.177 45.100 0.081 0.000 1.838 835 G HN 0.442 nan 8.290 nan 0.000 0.535 836 D N 1.891 122.343 120.400 0.087 0.000 2.311 836 D HA -0.067 4.572 4.640 -0.003 0.000 0.212 836 D C 2.058 178.425 176.300 0.112 0.000 0.972 836 D CA 1.256 55.312 54.000 0.093 0.000 0.887 836 D CB 0.389 41.311 40.800 0.205 0.000 0.915 836 D HN 0.631 nan 8.370 nan 0.000 0.497 837 G N 1.414 110.275 108.800 0.101 0.000 2.595 837 G HA2 -0.374 3.585 3.960 -0.003 0.000 0.297 837 G HA3 -0.374 3.585 3.960 -0.003 0.000 0.297 837 G C 0.529 175.497 174.900 0.113 0.000 1.181 837 G CA 0.408 45.571 45.100 0.105 0.000 0.963 837 G HN 0.354 nan 8.290 nan 0.000 0.541 838 M N 0.334 120.017 119.600 0.139 0.000 2.603 838 M HA 0.421 4.900 4.480 -0.003 0.000 0.380 838 M C 1.211 177.620 176.300 0.181 0.000 1.158 838 M CA -0.046 55.320 55.300 0.111 0.000 0.921 838 M CB 0.495 33.123 32.600 0.047 0.000 1.417 838 M HN 0.579 nan 8.290 nan 0.000 0.523 839 Y N 0.203 120.552 120.300 0.082 0.000 2.114 839 Y HA -0.198 4.350 4.550 -0.003 0.000 0.284 839 Y C 2.088 178.046 175.900 0.096 0.000 1.143 839 Y CA 2.454 60.600 58.100 0.076 0.000 1.135 839 Y CB -0.084 38.399 38.460 0.038 0.000 0.980 839 Y HN 0.229 nan 8.280 nan 0.000 0.499 840 S N 0.277 116.090 115.700 0.189 0.000 2.383 840 S HA -0.204 4.265 4.470 -0.003 0.000 0.229 840 S C 1.646 176.276 174.600 0.050 0.000 1.030 840 S CA 1.585 59.869 58.200 0.139 0.000 1.002 840 S CB -0.319 63.024 63.200 0.237 0.000 0.829 840 S HN 0.509 nan 8.310 nan 0.000 0.467 841 E N 1.545 121.776 120.200 0.052 0.000 2.047 841 E HA -0.053 4.295 4.350 -0.003 0.000 0.191 841 E C 2.395 179.063 176.600 0.113 0.000 0.987 841 E CA 1.327 57.754 56.400 0.044 0.000 0.799 841 E CB -0.378 29.309 29.700 -0.021 0.000 0.752 841 E HN 0.375 nan 8.360 nan 0.000 0.449 842 S N 0.833 116.624 115.700 0.152 0.000 2.353 842 S HA -0.148 4.320 4.470 -0.003 0.000 0.222 842 S C 1.716 176.229 174.600 -0.146 0.000 1.035 842 S CA 1.114 59.307 58.200 -0.011 0.000 1.025 842 S CB -0.193 62.948 63.200 -0.099 0.000 0.902 842 S HN 0.111 nan 8.310 nan 0.000 0.440 843 K N 0.819 121.075 120.400 -0.239 0.000 2.283 843 K HA 0.113 4.431 4.320 -0.003 0.000 0.202 843 K C 1.944 178.501 176.600 -0.071 0.000 1.048 843 K CA 0.486 56.640 56.287 -0.222 0.000 0.948 843 K CB -0.480 31.796 32.500 -0.374 0.000 0.742 843 K HN 0.307 nan 8.250 nan 0.000 0.458 844 L N 0.609 121.763 121.223 -0.115 0.000 2.249 844 L HA 0.065 4.403 4.340 -0.003 0.000 0.207 844 L C 1.906 178.691 176.870 -0.143 0.000 1.090 844 L CA 1.282 55.955 54.840 -0.278 0.000 0.802 844 L CB -0.229 41.518 42.059 -0.521 0.000 0.947 844 L HN -0.094 nan 8.230 nan 0.000 0.453 845 S N -0.143 115.507 115.700 -0.084 0.000 2.382 845 S HA -0.117 4.351 4.470 -0.003 0.000 0.228 845 S C 1.894 176.455 174.600 -0.065 0.000 1.027 845 S CA 1.513 59.685 58.200 -0.047 0.000 0.991 845 S CB -0.456 62.733 63.200 -0.017 0.000 0.823 845 S HN 0.462 nan 8.310 nan 0.000 0.469 846 L N 1.355 122.517 121.223 -0.102 0.000 2.137 846 L HA -0.196 4.142 4.340 -0.003 0.000 0.213 846 L C 2.130 178.908 176.870 -0.152 0.000 1.085 846 L CA 1.299 56.059 54.840 -0.135 0.000 0.760 846 L CB -0.686 41.279 42.059 -0.156 0.000 0.893 846 L HN 0.398 nan 8.230 nan 0.000 0.434 847 E N -0.635 119.517 120.200 -0.081 0.000 2.516 847 E HA -0.130 4.219 4.350 -0.003 0.000 0.199 847 E C 1.914 178.569 176.600 0.091 0.000 1.069 847 E CA 1.157 57.560 56.400 0.005 0.000 0.876 847 E CB -0.044 29.733 29.700 0.129 0.000 0.843 847 E HN 0.607 nan 8.360 nan 0.000 0.530 848 T N -1.226 113.354 114.554 0.044 0.000 3.035 848 T HA -0.024 4.324 4.350 -0.003 0.000 0.268 848 T C 1.815 176.596 174.700 0.136 0.000 1.109 848 T CA 0.324 62.491 62.100 0.110 0.000 1.119 848 T CB -0.175 68.745 68.868 0.086 0.000 0.900 848 T HN 0.119 nan 8.240 nan 0.000 0.503 849 L N -0.850 120.386 121.223 0.021 0.000 2.291 849 L HA 0.159 4.497 4.340 -0.003 0.000 0.214 849 L C 1.978 178.929 176.870 0.135 0.000 1.120 849 L CA 0.640 55.549 54.840 0.115 0.000 0.799 849 L CB -0.728 41.331 42.059 0.001 0.000 0.925 849 L HN 0.153 nan 8.230 nan 0.000 0.446 850 F N 0.640 120.688 119.950 0.164 0.000 2.408 850 F HA -0.139 4.386 4.527 -0.003 0.000 0.300 850 F C 1.937 177.913 175.800 0.295 0.000 1.090 850 F CA 0.891 58.998 58.000 0.178 0.000 1.427 850 F CB -0.432 38.668 39.000 0.166 0.000 1.070 850 F HN 0.216 nan 8.300 nan 0.000 0.549 851 N N -1.074 117.886 118.700 0.432 0.000 2.557 851 N HA 0.081 4.820 4.740 -0.003 0.000 0.217 851 N C 1.726 177.404 175.510 0.281 0.000 1.062 851 N CA 0.212 53.495 53.050 0.388 0.000 0.863 851 N CB -0.324 38.348 38.487 0.309 0.000 1.390 851 N HN -0.031 nan 8.380 nan 0.000 0.445 852 R N -0.059 120.597 120.500 0.259 0.000 2.139 852 R HA -0.143 4.195 4.340 -0.003 0.000 0.243 852 R C 1.651 177.914 176.300 -0.062 0.000 1.145 852 R CA 1.413 57.658 56.100 0.241 0.000 0.976 852 R CB -0.302 30.285 30.300 0.479 0.000 0.866 852 R HN 0.338 nan 8.270 nan 0.000 0.449 853 W N 0.203 121.275 121.300 -0.382 0.000 2.338 853 W HA -0.223 4.436 4.660 -0.003 0.000 0.304 853 W C 1.636 177.726 176.519 -0.714 0.000 1.212 853 W CA 2.107 58.863 57.345 -0.982 0.000 1.264 853 W CB -0.176 28.904 29.460 -0.634 0.000 1.142 853 W HN 0.233 nan 8.180 nan 0.000 0.512 854 H N -1.594 117.454 119.070 -0.037 0.000 2.384 854 H HA -0.069 4.486 4.556 -0.003 0.000 0.300 854 H C 2.589 177.804 175.328 -0.188 0.000 1.057 854 H CA 1.976 57.967 56.048 -0.095 0.000 1.370 854 H CB -0.332 29.497 29.762 0.111 0.000 1.417 854 H HN 0.091 nan 8.280 nan 0.000 0.527 855 S N -0.139 115.566 115.700 0.008 0.000 2.446 855 S HA 0.003 4.471 4.470 -0.003 0.000 0.225 855 S C 1.004 175.568 174.600 -0.061 0.000 1.016 855 S CA 0.227 58.428 58.200 0.001 0.000 0.943 855 S CB 0.353 63.589 63.200 0.061 0.000 0.786 855 S HN 0.366 nan 8.310 nan 0.000 0.508 856 E N 1.225 121.339 120.200 -0.144 0.000 3.388 856 E HA 0.438 4.787 4.350 -0.003 0.000 0.271 856 E C -0.108 176.325 176.600 -0.279 0.000 0.808 856 E CA 0.047 56.377 56.400 -0.118 0.000 1.710 856 E CB 0.606 30.361 29.700 0.093 0.000 1.831 856 E HN 0.419 nan 8.360 nan 0.000 0.541 857 S N -0.322 115.246 115.700 -0.221 0.000 2.941 857 S HA 0.143 4.611 4.470 -0.003 0.000 0.248 857 S C -0.163 174.375 174.600 -0.103 0.000 0.962 857 S CA -0.872 57.212 58.200 -0.193 0.000 1.092 857 S CB -0.369 62.795 63.200 -0.060 0.000 1.113 857 S HN 0.624 nan 8.310 nan 0.000 0.512 858 W N -0.119 121.067 121.300 -0.190 0.000 2.966 858 W HA 0.662 5.321 4.660 -0.003 0.000 0.406 858 W C 0.826 177.212 176.519 -0.221 0.000 1.027 858 W CA -0.271 56.982 57.345 -0.153 0.000 1.930 858 W CB -0.839 28.569 29.460 -0.088 0.000 1.144 858 W HN 0.392 nan 8.180 nan 0.000 0.626 859 A N 2.119 124.585 122.820 -0.590 0.000 2.070 859 A HA -0.201 4.118 4.320 -0.003 0.000 0.220 859 A C 1.751 179.200 177.584 -0.224 0.000 1.159 859 A CA 1.377 52.871 52.037 -0.905 0.000 0.656 859 A CB -0.711 17.367 19.000 -1.536 0.000 0.800 859 A HN 0.384 nan 8.150 nan 0.000 0.453 860 N N -1.223 117.423 118.700 -0.090 0.000 2.280 860 N HA 0.006 4.744 4.740 -0.003 0.000 0.192 860 N C 1.019 176.588 175.510 0.098 0.000 1.109 860 N CA 0.445 53.514 53.050 0.032 0.000 0.855 860 N CB 0.248 38.736 38.487 0.002 0.000 0.974 860 N HN 0.483 nan 8.380 nan 0.000 0.482 861 Q N -0.129 119.754 119.800 0.139 0.000 2.442 861 Q HA 0.305 4.644 4.340 -0.003 0.000 0.228 861 Q C -0.221 175.910 176.000 0.219 0.000 0.902 861 Q CA 0.600 56.498 55.803 0.158 0.000 0.933 861 Q CB 0.841 29.658 28.738 0.133 0.000 1.071 861 Q HN 0.071 nan 8.270 nan 0.000 0.562 862 L N 0.297 121.736 121.223 0.360 0.000 2.354 862 L HA 0.608 4.946 4.340 -0.003 0.000 0.264 862 L C -0.311 176.918 176.870 0.599 0.000 1.008 862 L CA -0.452 54.644 54.840 0.427 0.000 0.819 862 L CB 1.716 44.053 42.059 0.463 0.000 1.339 862 L HN 0.091 nan 8.230 nan 0.000 0.420 863 T N -1.302 113.491 114.554 0.399 0.000 2.876 863 T HA 0.675 5.024 4.350 -0.003 0.000 0.289 863 T C -0.298 174.442 174.700 0.067 0.000 1.014 863 T CA -0.781 61.460 62.100 0.236 0.000 0.986 863 T CB 2.050 70.961 68.868 0.071 0.000 1.021 863 T HN 0.461 nan 8.240 nan 0.000 0.458 864 V N 0.081 119.907 119.914 -0.147 0.000 2.439 864 V HA 0.715 4.834 4.120 -0.003 0.000 0.282 864 V C -0.173 175.854 176.094 -0.113 0.000 1.039 864 V CA -0.853 61.381 62.300 -0.109 0.000 0.913 864 V CB 0.411 32.138 31.823 -0.160 0.000 0.983 864 V HN 1.217 nan 8.190 nan 0.000 0.460 865 C N 6.192 125.448 119.300 -0.072 0.000 2.521 865 C HA 0.787 5.245 4.460 -0.003 0.000 0.291 865 C C 0.785 175.762 174.990 -0.021 0.000 1.074 865 C CA 0.107 59.107 59.018 -0.029 0.000 1.495 865 C CB -0.581 27.140 27.740 -0.031 0.000 1.862 865 C HN 1.357 nan 8.230 nan 0.000 0.418 866 G N 4.237 113.070 108.800 0.055 0.000 2.351 866 G HA2 0.555 4.513 3.960 -0.003 0.000 0.287 866 G HA3 0.555 4.513 3.960 -0.003 0.000 0.287 866 G C 0.027 174.935 174.900 0.013 0.000 1.159 866 G CA 0.105 45.243 45.100 0.062 0.000 0.929 866 G HN 1.311 nan 8.290 nan 0.000 0.435 867 A N 3.423 126.234 122.820 -0.015 0.000 2.260 867 A HA 0.632 4.950 4.320 -0.003 0.000 0.314 867 A C 0.201 177.752 177.584 -0.054 0.000 1.257 867 A CA -0.677 51.337 52.037 -0.039 0.000 0.871 867 A CB 0.478 19.484 19.000 0.010 0.000 1.166 867 A HN 0.710 nan 8.150 nan 0.000 0.522 868 I N 3.946 124.473 120.570 -0.071 0.000 2.256 868 I HA 0.129 4.298 4.170 -0.003 0.000 0.294 868 I C -0.622 175.455 176.117 -0.065 0.000 1.127 868 I CA -0.293 60.968 61.300 -0.065 0.000 1.247 868 I CB 0.013 37.974 38.000 -0.065 0.000 1.460 868 I HN 0.448 nan 8.210 nan 0.000 0.511 869 I N 5.000 125.528 120.570 -0.070 0.000 2.533 869 I HA 0.160 4.328 4.170 -0.003 0.000 0.284 869 I C 1.268 177.365 176.117 -0.033 0.000 1.109 869 I CA 0.734 61.990 61.300 -0.072 0.000 1.412 869 I CB 0.740 38.686 38.000 -0.090 0.000 1.396 869 I HN 0.553 nan 8.210 nan 0.000 0.543 870 G N 5.322 114.105 108.800 -0.029 0.000 2.531 870 G HA2 0.042 4.000 3.960 -0.003 0.000 0.253 870 G HA3 0.042 4.000 3.960 -0.003 0.000 0.253 870 G C -0.992 174.041 174.900 0.221 0.000 1.439 870 G CA -0.530 44.647 45.100 0.128 0.000 1.056 870 G HN 0.605 nan 8.290 nan 0.000 0.555 871 W N 1.775 123.198 121.300 0.205 0.000 2.529 871 W HA 0.426 5.085 4.660 -0.003 0.000 0.319 871 W C -0.869 175.777 176.519 0.212 0.000 1.362 871 W CA 0.088 57.530 57.345 0.162 0.000 1.348 871 W CB -0.020 29.527 29.460 0.145 0.000 1.403 871 W HN 0.114 nan 8.180 nan 0.000 0.519 872 T N 7.781 122.431 114.554 0.160 0.000 2.786 872 T HA 0.386 4.734 4.350 -0.003 0.000 0.283 872 T C -0.085 174.683 174.700 0.112 0.000 0.992 872 T CA -0.644 61.574 62.100 0.196 0.000 0.954 872 T CB 1.002 69.931 68.868 0.102 0.000 0.934 872 T HN 0.246 nan 8.240 nan 0.000 0.440 873 R N 1.832 122.456 120.500 0.206 0.000 2.357 873 R HA 0.752 5.091 4.340 -0.003 0.000 0.296 873 R C 0.440 176.798 176.300 0.095 0.000 1.052 873 R CA -0.880 55.304 56.100 0.141 0.000 0.988 873 R CB 1.094 31.522 30.300 0.213 0.000 1.025 873 R HN 0.731 nan 8.270 nan 0.000 0.469 874 G N 0.727 109.550 108.800 0.039 0.000 2.600 874 G HA2 0.297 4.256 3.960 -0.003 0.000 0.293 874 G HA3 0.297 4.256 3.960 -0.003 0.000 0.293 874 G C -0.679 174.228 174.900 0.012 0.000 1.408 874 G CA -0.839 44.285 45.100 0.040 0.000 0.782 874 G HN 0.456 nan 8.290 nan 0.000 0.482 882 N N 0.829 119.412 118.700 -0.194 0.000 2.373 882 N HA 0.169 4.907 4.740 -0.003 0.000 0.181 882 N C 1.708 177.054 175.510 -0.275 0.000 1.082 882 N CA 0.810 53.684 53.050 -0.293 0.000 0.885 882 N CB 0.002 37.955 38.487 -0.890 0.000 0.977 882 N HN 0.677 nan 8.380 nan 0.000 0.462 883 I N -0.569 119.880 120.570 -0.201 0.000 2.423 883 I HA -0.134 4.034 4.170 -0.003 0.000 0.254 883 I C 1.750 177.880 176.117 0.022 0.000 1.151 883 I CA 1.239 62.526 61.300 -0.021 0.000 1.421 883 I CB -0.426 37.569 38.000 -0.008 0.000 1.079 883 I HN -0.005 nan 8.210 nan 0.000 0.431 884 I N -1.122 119.452 120.570 0.007 0.000 3.793 884 I HA 0.380 4.548 4.170 -0.003 0.000 0.315 884 I C 2.376 178.438 176.117 -0.091 0.000 1.275 884 I CA 0.570 61.853 61.300 -0.029 0.000 1.214 884 I CB -0.172 37.813 38.000 -0.024 0.000 1.018 884 I HN 0.098 nan 8.210 nan 0.000 0.439 885 A N 1.941 124.741 122.820 -0.033 0.000 1.883 885 A HA -0.273 4.046 4.320 -0.003 0.000 0.217 885 A C 2.392 179.898 177.584 -0.130 0.000 1.186 885 A CA 2.189 54.144 52.037 -0.137 0.000 0.624 885 A CB -0.743 18.299 19.000 0.070 0.000 0.822 885 A HN 0.668 nan 8.150 nan 0.000 0.444 886 E N -0.601 119.596 120.200 -0.005 0.000 2.153 886 E HA -0.111 4.237 4.350 -0.003 0.000 0.194 886 E C 1.950 178.520 176.600 -0.050 0.000 0.988 886 E CA 1.139 57.530 56.400 -0.014 0.000 0.811 886 E CB -0.411 29.305 29.700 0.028 0.000 0.746 886 E HN 0.519 nan 8.360 nan 0.000 0.466 887 G N 0.999 109.759 108.800 -0.067 0.000 2.394 887 G HA2 -0.227 3.732 3.960 -0.003 0.000 0.215 887 G HA3 -0.227 3.732 3.960 -0.003 0.000 0.215 887 G C 1.516 176.395 174.900 -0.036 0.000 1.165 887 G CA 0.605 45.669 45.100 -0.060 0.000 0.784 887 G HN 0.331 nan 8.290 nan 0.000 0.535 888 I N 0.741 121.228 120.570 -0.139 0.000 2.286 888 I HA -0.084 4.085 4.170 -0.003 0.000 0.248 888 I C 2.417 178.496 176.117 -0.064 0.000 1.115 888 I CA 1.650 62.905 61.300 -0.075 0.000 1.392 888 I CB -0.142 37.584 38.000 -0.457 0.000 1.065 888 I HN 0.325 nan 8.210 nan 0.000 0.418 889 E N 0.114 120.228 120.200 -0.143 0.000 2.204 889 E HA -0.241 4.107 4.350 -0.003 0.000 0.194 889 E C 1.948 178.516 176.600 -0.053 0.000 0.989 889 E CA 0.616 56.940 56.400 -0.126 0.000 0.824 889 E CB -0.080 29.533 29.700 -0.145 0.000 0.756 889 E HN 0.360 nan 8.360 nan 0.000 0.477 890 K N -0.253 120.139 120.400 -0.013 0.000 2.574 890 K HA -0.007 4.311 4.320 -0.003 0.000 0.193 890 K C 0.860 177.477 176.600 0.028 0.000 1.035 890 K CA 0.515 56.810 56.287 0.014 0.000 0.982 890 K CB 0.198 32.717 32.500 0.032 0.000 0.795 890 K HN 0.185 nan 8.250 nan 0.000 0.491 891 M N -0.747 118.868 119.600 0.024 0.000 2.484 891 M HA 0.153 4.631 4.480 -0.003 0.000 0.307 891 M C 0.504 176.805 176.300 0.001 0.000 1.149 891 M CA 0.217 55.517 55.300 0.001 0.000 0.972 891 M CB 1.372 33.945 32.600 -0.045 0.000 1.400 891 M HN 0.285 nan 8.290 nan 0.000 0.508 892 G N 1.465 110.272 108.800 0.013 0.000 2.137 892 G HA2 -0.183 3.776 3.960 -0.003 0.000 0.237 892 G HA3 -0.183 3.776 3.960 -0.003 0.000 0.237 892 G C -0.189 174.769 174.900 0.097 0.000 1.002 892 G CA -0.121 45.016 45.100 0.062 0.000 0.702 892 G HN 0.346 nan 8.290 nan 0.000 0.515 893 V N 0.108 120.009 119.914 -0.022 0.000 2.630 893 V HA 0.679 4.797 4.120 -0.003 0.000 0.305 893 V C 0.738 176.631 176.094 -0.334 0.000 1.046 893 V CA -1.020 61.217 62.300 -0.104 0.000 0.934 893 V CB 1.908 33.718 31.823 -0.022 0.000 1.003 893 V HN 0.369 nan 8.190 nan 0.000 0.451 894 R N 1.650 121.792 120.500 -0.596 0.000 2.393 894 R HA 0.578 4.916 4.340 -0.003 0.000 0.310 894 R C -0.107 175.888 176.300 -0.509 0.000 0.968 894 R CA -0.254 55.443 56.100 -0.673 0.000 0.867 894 R CB 1.638 31.311 30.300 -1.045 0.000 1.124 894 R HN 0.998 nan 8.270 nan 0.000 0.450 895 T N 0.143 114.447 114.554 -0.418 0.000 2.944 895 T HA 0.565 4.913 4.350 -0.003 0.000 0.284 895 T C -0.367 174.149 174.700 -0.307 0.000 1.010 895 T CA -0.507 61.502 62.100 -0.152 0.000 1.025 895 T CB 0.938 69.774 68.868 -0.054 0.000 1.079 895 T HN 0.289 nan 8.240 nan 0.000 0.516 896 F N 0.657 120.720 119.950 0.188 0.000 2.563 896 F HA 0.587 5.112 4.527 -0.003 0.000 0.316 896 F C 0.896 176.785 175.800 0.148 0.000 1.076 896 F CA -0.915 57.187 58.000 0.170 0.000 0.921 896 F CB 2.273 41.387 39.000 0.190 0.000 1.209 896 F HN 0.904 nan 8.300 nan 0.000 0.462 897 S N 0.779 116.644 115.700 0.275 0.000 2.645 897 S HA 0.230 4.698 4.470 -0.003 0.000 0.266 897 S C 0.606 175.315 174.600 0.182 0.000 1.258 897 S CA -0.577 57.734 58.200 0.185 0.000 0.990 897 S CB 1.251 64.514 63.200 0.105 0.000 0.967 897 S HN 0.779 nan 8.310 nan 0.000 0.556 898 Q N 0.500 120.378 119.800 0.131 0.000 2.119 898 Q HA -0.062 4.277 4.340 -0.003 0.000 0.201 898 Q C 1.975 178.035 176.000 0.099 0.000 0.972 898 Q CA 1.154 57.024 55.803 0.112 0.000 0.847 898 Q CB -0.228 28.561 28.738 0.086 0.000 0.903 898 Q HN 0.671 nan 8.270 nan 0.000 0.433 899 K N 0.812 121.258 120.400 0.076 0.000 2.152 899 K HA -0.188 4.130 4.320 -0.003 0.000 0.206 899 K C 1.821 178.466 176.600 0.076 0.000 1.048 899 K CA 1.190 57.514 56.287 0.063 0.000 0.933 899 K CB 0.018 32.532 32.500 0.023 0.000 0.721 899 K HN 0.291 nan 8.250 nan 0.000 0.447 900 E N 0.177 120.411 120.200 0.058 0.000 2.028 900 E HA -0.089 4.260 4.350 -0.003 0.000 0.190 900 E C 2.056 178.783 176.600 0.212 0.000 0.984 900 E CA 0.854 57.277 56.400 0.038 0.000 0.800 900 E CB 0.079 29.837 29.700 0.097 0.000 0.758 900 E HN 0.132 nan 8.360 nan 0.000 0.448 901 M N 0.194 119.901 119.600 0.178 0.000 2.213 901 M HA -0.079 4.399 4.480 -0.003 0.000 0.263 901 M C 2.297 178.673 176.300 0.127 0.000 1.062 901 M CA 1.021 56.378 55.300 0.094 0.000 1.105 901 M CB -0.742 31.888 32.600 0.050 0.000 1.385 901 M HN 0.122 nan 8.290 nan 0.000 0.417 902 A N -0.619 122.282 122.820 0.135 0.000 1.898 902 A HA -0.190 4.128 4.320 -0.003 0.000 0.216 902 A C 2.048 179.717 177.584 0.141 0.000 1.181 902 A CA 1.151 53.243 52.037 0.092 0.000 0.620 902 A CB -1.015 18.021 19.000 0.060 0.000 0.819 902 A HN 0.452 nan 8.150 nan 0.000 0.442 903 F N 1.630 121.645 119.950 0.108 0.000 2.171 903 F HA -0.197 4.328 4.527 -0.003 0.000 0.300 903 F C 1.913 177.840 175.800 0.210 0.000 1.090 903 F CA 1.971 60.096 58.000 0.208 0.000 1.293 903 F CB -0.239 38.836 39.000 0.125 0.000 1.013 903 F HN 0.204 nan 8.300 nan 0.000 0.486 904 N N 0.929 119.748 118.700 0.198 0.000 2.084 904 N HA -0.157 4.581 4.740 -0.003 0.000 0.190 904 N C 2.049 177.642 175.510 0.138 0.000 1.030 904 N CA 1.807 54.962 53.050 0.176 0.000 0.849 904 N CB -0.777 37.848 38.487 0.230 0.000 1.012 904 N HN 0.348 nan 8.380 nan 0.000 0.423 905 L N 0.729 122.005 121.223 0.087 0.000 1.994 905 L HA -0.110 4.228 4.340 -0.003 0.000 0.208 905 L C 2.255 179.124 176.870 -0.002 0.000 1.071 905 L CA 0.878 55.746 54.840 0.046 0.000 0.745 905 L CB -0.604 41.469 42.059 0.024 0.000 0.892 905 L HN 0.135 nan 8.230 nan 0.000 0.431 906 L N -0.188 121.002 121.223 -0.055 0.000 2.137 906 L HA -0.224 4.115 4.340 -0.003 0.000 0.213 906 L C 2.507 179.417 176.870 0.068 0.000 1.085 906 L CA 1.377 56.178 54.840 -0.064 0.000 0.760 906 L CB -1.149 40.842 42.059 -0.112 0.000 0.893 906 L HN 0.412 nan 8.230 nan 0.000 0.434 907 G N -0.287 108.515 108.800 0.004 0.000 2.509 907 G HA2 -0.147 3.811 3.960 -0.003 0.000 0.218 907 G HA3 -0.147 3.811 3.960 -0.003 0.000 0.218 907 G C 1.485 176.533 174.900 0.246 0.000 1.124 907 G CA 0.215 45.335 45.100 0.033 0.000 0.776 907 G HN 0.328 nan 8.290 nan 0.000 0.547 908 L N -0.279 121.076 121.223 0.220 0.000 2.554 908 L HA 0.274 4.613 4.340 -0.003 0.000 0.226 908 L C 2.043 178.973 176.870 0.101 0.000 1.137 908 L CA 0.084 55.020 54.840 0.159 0.000 0.863 908 L CB 0.055 42.144 42.059 0.050 0.000 0.985 908 L HN 0.153 nan 8.230 nan 0.000 0.451 909 L N -0.722 120.565 121.223 0.107 0.000 2.607 909 L HA 0.103 4.441 4.340 -0.003 0.000 0.228 909 L C 1.202 178.208 176.870 0.226 0.000 1.123 909 L CA -0.169 54.737 54.840 0.110 0.000 0.890 909 L CB -0.275 41.771 42.059 -0.022 0.000 1.103 909 L HN 0.260 nan 8.230 nan 0.000 0.468 910 T N -2.972 111.709 114.554 0.212 0.000 2.930 910 T HA 0.098 4.446 4.350 -0.003 0.000 0.306 910 T C -1.536 173.238 174.700 0.122 0.000 1.045 910 T CA -1.303 60.894 62.100 0.161 0.000 1.134 910 T CB 1.084 70.016 68.868 0.107 0.000 0.961 910 T HN -0.141 nan 8.240 nan 0.000 0.545 911 P HA -0.217 nan 4.420 nan 0.000 0.218 911 P C 1.412 178.757 177.300 0.075 0.000 1.154 911 P CA 1.590 64.736 63.100 0.077 0.000 0.872 911 P CB 0.055 31.788 31.700 0.056 0.000 0.790 912 E N -0.636 119.610 120.200 0.077 0.000 2.031 912 E HA -0.149 4.199 4.350 -0.003 0.000 0.193 912 E C 2.069 178.723 176.600 0.090 0.000 0.994 912 E CA 1.606 58.053 56.400 0.079 0.000 0.800 912 E CB -1.083 28.666 29.700 0.082 0.000 0.752 912 E HN 0.208 nan 8.360 nan 0.000 0.447 913 V N 0.576 120.559 119.914 0.115 0.000 2.871 913 V HA -0.088 4.030 4.120 -0.003 0.000 0.256 913 V C 2.061 178.198 176.094 0.071 0.000 1.082 913 V CA 0.762 63.129 62.300 0.111 0.000 1.105 913 V CB 0.145 32.073 31.823 0.175 0.000 0.713 913 V HN 0.066 nan 8.190 nan 0.000 0.473 914 V N 0.623 120.582 119.914 0.075 0.000 2.307 914 V HA -0.222 3.896 4.120 -0.003 0.000 0.245 914 V C 2.659 178.784 176.094 0.052 0.000 1.045 914 V CA 2.631 64.966 62.300 0.059 0.000 1.024 914 V CB -0.606 31.259 31.823 0.069 0.000 0.651 914 V HN 0.699 nan 8.190 nan 0.000 0.449 915 E N -0.343 119.892 120.200 0.057 0.000 2.150 915 E HA -0.200 4.149 4.350 -0.003 0.000 0.193 915 E C 2.293 178.920 176.600 0.045 0.000 0.985 915 E CA 0.937 57.370 56.400 0.055 0.000 0.814 915 E CB -0.053 29.680 29.700 0.055 0.000 0.752 915 E HN 0.541 nan 8.360 nan 0.000 0.466 916 L N 0.331 121.578 121.223 0.041 0.000 1.990 916 L HA -0.289 4.049 4.340 -0.003 0.000 0.213 916 L C 2.556 179.421 176.870 -0.008 0.000 1.072 916 L CA 1.446 56.302 54.840 0.027 0.000 0.755 916 L CB -0.303 41.779 42.059 0.037 0.000 0.889 916 L HN 0.355 nan 8.230 nan 0.000 0.432 917 C N -0.334 118.952 119.300 -0.024 0.000 2.403 917 C HA -0.212 4.246 4.460 -0.003 0.000 0.277 917 C C 2.669 177.584 174.990 -0.125 0.000 1.248 917 C CA 0.976 59.938 59.018 -0.093 0.000 1.762 917 C CB -0.937 26.768 27.740 -0.058 0.000 2.014 917 C HN 0.579 nan 8.230 nan 0.000 0.486 918 Q N -0.038 119.760 119.800 -0.002 0.000 2.369 918 Q HA -0.171 4.168 4.340 -0.003 0.000 0.206 918 Q C 2.144 178.219 176.000 0.126 0.000 0.963 918 Q CA 1.074 56.932 55.803 0.093 0.000 0.894 918 Q CB -0.069 28.735 28.738 0.111 0.000 0.965 918 Q HN 0.685 nan 8.270 nan 0.000 0.475 919 K N 0.601 121.033 120.400 0.052 0.000 2.128 919 K HA -0.027 4.291 4.320 -0.003 0.000 0.202 919 K C -0.036 176.611 176.600 0.077 0.000 1.050 919 K CA 1.064 57.409 56.287 0.096 0.000 0.966 919 K CB 0.556 33.097 32.500 0.068 0.000 0.759 919 K HN 0.121 nan 8.250 nan 0.000 0.454 920 S N -0.354 115.273 115.700 -0.121 0.000 2.578 920 S HA 0.324 4.793 4.470 -0.003 0.000 0.285 920 S C -3.077 171.322 174.600 -0.336 0.000 1.126 920 S CA -1.585 56.451 58.200 -0.273 0.000 0.878 920 S CB 1.251 64.508 63.200 0.095 0.000 1.091 920 S HN -0.084 nan 8.310 nan 0.000 0.450 921 P HA 0.075 nan 4.420 nan 0.000 0.263 921 P C -0.714 176.599 177.300 0.022 0.000 1.162 921 P CA 0.024 62.967 63.100 -0.262 0.000 0.758 921 P CB 0.243 31.958 31.700 0.024 0.000 0.773 922 V N 4.908 124.829 119.914 0.012 0.000 2.547 922 V HA 0.504 4.623 4.120 -0.003 0.000 0.299 922 V C 0.211 176.283 176.094 -0.037 0.000 1.040 922 V CA -0.455 61.847 62.300 0.003 0.000 0.913 922 V CB 1.648 33.449 31.823 -0.037 0.000 0.992 922 V HN 0.537 nan 8.190 nan 0.000 0.449 923 M N 4.211 123.707 119.600 -0.174 0.000 2.190 923 M HA 0.780 5.259 4.480 -0.003 0.000 0.312 923 M C -0.709 175.478 176.300 -0.188 0.000 0.990 923 M CA -0.495 54.628 55.300 -0.295 0.000 0.927 923 M CB 1.523 33.632 32.600 -0.818 0.000 1.571 923 M HN 0.734 nan 8.290 nan 0.000 0.427 924 A N 3.769 126.471 122.820 -0.196 0.000 2.291 924 A HA 0.378 4.696 4.320 -0.003 0.000 0.311 924 A C -1.005 176.440 177.584 -0.232 0.000 1.224 924 A CA -0.647 51.226 52.037 -0.274 0.000 0.821 924 A CB 0.617 19.378 19.000 -0.399 0.000 1.172 924 A HN 0.799 nan 8.150 nan 0.000 0.494 925 D N 3.368 123.583 120.400 -0.308 0.000 2.352 925 D HA 0.231 4.869 4.640 -0.003 0.000 0.245 925 D C -0.123 176.051 176.300 -0.210 0.000 1.224 925 D CA 0.167 53.965 54.000 -0.336 0.000 0.879 925 D CB 0.537 40.875 40.800 -0.771 0.000 1.057 925 D HN 0.526 nan 8.370 nan 0.000 0.491 926 L N 3.800 124.954 121.223 -0.115 0.000 3.094 926 L HA 0.212 4.551 4.340 -0.003 0.000 0.254 926 L C 0.377 177.185 176.870 -0.103 0.000 1.298 926 L CA -0.395 54.388 54.840 -0.095 0.000 1.050 926 L CB -0.178 41.807 42.059 -0.123 0.000 1.420 926 L HN 0.130 nan 8.230 nan 0.000 0.548 927 N N 0.959 119.686 118.700 0.046 0.000 2.511 927 N HA 0.226 4.964 4.740 -0.003 0.000 0.249 927 N C 0.636 176.351 175.510 0.343 0.000 0.971 927 N CA -0.372 52.786 53.050 0.180 0.000 0.938 927 N CB 1.788 40.352 38.487 0.129 0.000 1.131 927 N HN 0.176 nan 8.380 nan 0.000 0.505 928 G N 1.667 110.776 108.800 0.516 0.000 3.180 928 G HA2 0.343 4.301 3.960 -0.003 0.000 0.246 928 G HA3 0.343 4.301 3.960 -0.003 0.000 0.246 928 G C 1.060 176.107 174.900 0.245 0.000 0.939 928 G CA 0.089 45.406 45.100 0.362 0.000 1.920 928 G HN 1.004 nan 8.290 nan 0.000 0.612 929 G N -0.120 108.992 108.800 0.520 0.000 2.176 929 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.253 929 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.253 929 G C 1.244 176.431 174.900 0.479 0.000 0.979 929 G CA 0.283 45.778 45.100 0.659 0.000 0.641 929 G HN 0.495 nan 8.290 nan 0.000 0.530 930 L N 0.394 121.797 121.223 0.300 0.000 2.189 930 L HA -0.213 4.125 4.340 -0.003 0.000 0.214 930 L C 3.048 180.015 176.870 0.162 0.000 1.097 930 L CA 2.574 57.554 54.840 0.235 0.000 0.764 930 L CB -0.497 41.730 42.059 0.280 0.000 0.900 930 L HN 0.644 nan 8.230 nan 0.000 0.436 931 Q N -0.954 118.885 119.800 0.065 0.000 2.217 931 Q HA -0.249 4.089 4.340 -0.003 0.000 0.209 931 Q C 1.817 177.657 176.000 -0.267 0.000 0.988 931 Q CA 1.880 57.569 55.803 -0.189 0.000 0.878 931 Q CB -0.308 28.145 28.738 -0.474 0.000 0.909 931 Q HN 0.468 nan 8.270 nan 0.000 0.424 932 F N 0.023 120.018 119.950 0.076 0.000 2.446 932 F HA 0.095 4.620 4.527 -0.003 0.000 0.292 932 F C 1.143 176.938 175.800 -0.008 0.000 1.096 932 F CA -0.298 57.724 58.000 0.036 0.000 1.438 932 F CB 0.228 39.253 39.000 0.041 0.000 1.107 932 F HN -0.087 nan 8.300 nan 0.000 0.546 933 V N 4.040 124.039 119.914 0.142 0.000 2.493 933 V HA 0.142 4.260 4.120 -0.003 0.000 0.292 933 V C -2.278 173.794 176.094 -0.037 0.000 1.016 933 V CA -1.689 60.597 62.300 -0.023 0.000 1.097 933 V CB 0.330 32.091 31.823 -0.102 0.000 0.947 933 V HN -0.107 nan 8.190 nan 0.000 0.479 934 P HA 0.359 nan 4.420 nan 0.000 0.281 934 P C -0.170 177.112 177.300 -0.029 0.000 1.249 934 P CA -0.242 62.834 63.100 -0.039 0.000 0.810 934 P CB 0.499 32.178 31.700 -0.035 0.000 1.008 935 E N -0.163 120.032 120.200 -0.007 0.000 2.328 935 E HA -0.207 4.141 4.350 -0.003 0.000 0.233 935 E C 0.570 177.200 176.600 0.050 0.000 1.219 935 E CA -0.009 56.399 56.400 0.013 0.000 0.717 935 E CB -1.546 28.176 29.700 0.037 0.000 1.210 935 E HN 0.365 nan 8.360 nan 0.000 0.381 936 L N 0.552 121.784 121.223 0.015 0.000 2.081 936 L HA -0.226 4.113 4.340 -0.003 0.000 0.212 936 L C 2.237 179.130 176.870 0.037 0.000 1.080 936 L CA 2.819 57.712 54.840 0.088 0.000 0.754 936 L CB -0.309 41.772 42.059 0.036 0.000 0.893 936 L HN 0.385 nan 8.230 nan 0.000 0.433 937 K N -0.477 119.808 120.400 -0.191 0.000 1.985 937 K HA -0.260 4.058 4.320 -0.003 0.000 0.210 937 K C 2.219 178.852 176.600 0.056 0.000 1.047 937 K CA 2.005 58.179 56.287 -0.187 0.000 0.932 937 K CB -0.437 31.933 32.500 -0.217 0.000 0.716 937 K HN 0.488 nan 8.250 nan 0.000 0.439 938 E N -0.484 119.752 120.200 0.059 0.000 2.110 938 E HA -0.203 4.146 4.350 -0.003 0.000 0.193 938 E C 1.939 178.619 176.600 0.132 0.000 0.988 938 E CA 1.089 57.541 56.400 0.086 0.000 0.804 938 E CB -0.180 29.564 29.700 0.073 0.000 0.745 938 E HN 0.394 nan 8.360 nan 0.000 0.458 939 F N 1.751 121.723 119.950 0.036 0.000 2.051 939 F HA -0.206 4.319 4.527 -0.003 0.000 0.296 939 F C 2.358 178.202 175.800 0.074 0.000 1.122 939 F CA 2.113 60.141 58.000 0.045 0.000 1.201 939 F CB -0.963 38.059 39.000 0.038 0.000 0.978 939 F HN -0.069 nan 8.300 nan 0.000 0.472 940 T N 0.984 115.534 114.554 -0.008 0.000 2.592 940 T HA -0.346 4.003 4.350 -0.003 0.000 0.267 940 T C 2.141 176.817 174.700 -0.041 0.000 1.060 940 T CA 2.371 64.471 62.100 0.001 0.000 1.167 940 T CB -1.128 67.986 68.868 0.408 0.000 0.863 940 T HN 0.443 nan 8.240 nan 0.000 0.431 941 A N 0.957 123.804 122.820 0.046 0.000 1.940 941 A HA -0.172 4.146 4.320 -0.003 0.000 0.219 941 A C 2.203 179.772 177.584 -0.026 0.000 1.176 941 A CA 2.251 54.306 52.037 0.031 0.000 0.631 941 A CB -0.578 18.457 19.000 0.059 0.000 0.814 941 A HN 0.549 nan 8.150 nan 0.000 0.446 942 K N -0.387 119.975 120.400 -0.063 0.000 2.002 942 K HA -0.083 4.235 4.320 -0.003 0.000 0.209 942 K C 1.914 178.445 176.600 -0.114 0.000 1.048 942 K CA 1.437 57.683 56.287 -0.069 0.000 0.930 942 K CB -0.369 32.103 32.500 -0.047 0.000 0.714 942 K HN 0.454 nan 8.250 nan 0.000 0.438 943 L N 0.613 121.696 121.223 -0.233 0.000 2.021 943 L HA -0.279 4.060 4.340 -0.003 0.000 0.215 943 L C 2.826 179.631 176.870 -0.108 0.000 1.074 943 L CA 1.795 56.507 54.840 -0.214 0.000 0.760 943 L CB -0.464 41.391 42.059 -0.340 0.000 0.889 943 L HN 0.276 nan 8.230 nan 0.000 0.433 944 R N 0.361 120.812 120.500 -0.081 0.000 2.073 944 R HA -0.225 4.114 4.340 -0.003 0.000 0.234 944 R C 2.402 178.686 176.300 -0.027 0.000 1.134 944 R CA 1.900 57.978 56.100 -0.037 0.000 0.952 944 R CB -0.113 30.179 30.300 -0.013 0.000 0.850 944 R HN 0.198 nan 8.270 nan 0.000 0.433 945 K N 0.452 120.837 120.400 -0.025 0.000 2.026 945 K HA -0.175 4.144 4.320 -0.003 0.000 0.208 945 K C 1.830 178.420 176.600 -0.015 0.000 1.048 945 K CA 1.943 58.221 56.287 -0.014 0.000 0.929 945 K CB 0.011 32.506 32.500 -0.008 0.000 0.713 945 K HN 0.250 nan 8.250 nan 0.000 0.439 946 E N 0.627 120.813 120.200 -0.023 0.000 2.085 946 E HA -0.211 4.138 4.350 -0.003 0.000 0.194 946 E C 2.099 178.690 176.600 -0.014 0.000 0.994 946 E CA 1.227 57.617 56.400 -0.018 0.000 0.801 946 E CB -0.059 29.628 29.700 -0.023 0.000 0.743 946 E HN 0.292 nan 8.360 nan 0.000 0.453 947 L N 0.504 121.715 121.223 -0.020 0.000 1.955 947 L HA -0.211 4.127 4.340 -0.003 0.000 0.213 947 L C 2.553 179.420 176.870 -0.006 0.000 1.072 947 L CA 1.336 56.169 54.840 -0.011 0.000 0.755 947 L CB -0.713 41.339 42.059 -0.012 0.000 0.888 947 L HN 0.122 nan 8.230 nan 0.000 0.432 948 V N -0.405 119.504 119.914 -0.007 0.000 2.392 948 V HA -0.268 3.850 4.120 -0.003 0.000 0.249 948 V C 2.570 178.663 176.094 -0.003 0.000 1.059 948 V CA 1.586 63.884 62.300 -0.005 0.000 1.051 948 V CB -0.467 31.353 31.823 -0.006 0.000 0.658 948 V HN 0.443 nan 8.190 nan 0.000 0.455 949 E N 0.031 120.228 120.200 -0.003 0.000 2.017 949 E HA -0.196 4.153 4.350 -0.003 0.000 0.193 949 E C 2.364 178.963 176.600 -0.001 0.000 0.997 949 E CA 1.917 58.316 56.400 -0.002 0.000 0.804 949 E CB -0.457 29.242 29.700 -0.001 0.000 0.757 949 E HN 0.546 nan 8.360 nan 0.000 0.448 950 T N 0.743 115.297 114.554 -0.001 0.000 2.714 950 T HA -0.216 4.132 4.350 -0.003 0.000 0.268 950 T C 1.952 176.653 174.700 0.001 0.000 1.036 950 T CA 1.816 63.916 62.100 -0.000 0.000 1.148 950 T CB -0.323 68.545 68.868 -0.000 0.000 0.856 950 T HN 0.171 nan 8.240 nan 0.000 0.462 951 S N 0.530 116.230 115.700 0.001 0.000 2.368 951 S HA -0.094 4.374 4.470 -0.003 0.000 0.224 951 S C 1.974 176.575 174.600 0.001 0.000 1.029 951 S CA 1.373 59.574 58.200 0.002 0.000 0.988 951 S CB -0.195 63.007 63.200 0.003 0.000 0.838 951 S HN 0.609 nan 8.310 nan 0.000 0.462 952 E N 0.171 120.372 120.200 0.001 0.000 2.170 952 E HA -0.016 4.332 4.350 -0.003 0.000 0.191 952 E C 2.209 178.809 176.600 0.001 0.000 0.981 952 E CA 0.957 57.357 56.400 0.000 0.000 0.830 952 E CB -0.160 29.540 29.700 -0.000 0.000 0.775 952 E HN 0.498 nan 8.360 nan 0.000 0.470 953 V N 1.127 121.041 119.914 0.001 0.000 2.307 953 V HA -0.237 3.881 4.120 -0.003 0.000 0.245 953 V C 2.297 178.392 176.094 0.000 0.000 1.045 953 V CA 2.058 64.359 62.300 0.001 0.000 1.024 953 V CB -0.265 31.559 31.823 0.001 0.000 0.651 953 V HN 0.113 nan 8.190 nan 0.000 0.449 954 R N 0.464 120.964 120.500 0.000 0.000 2.120 954 R HA -0.203 4.135 4.340 -0.003 0.000 0.234 954 R C 2.452 178.751 176.300 -0.001 0.000 1.123 954 R CA 2.174 58.274 56.100 -0.001 0.000 0.975 954 R CB -0.318 29.982 30.300 -0.000 0.000 0.866 954 R HN 0.739 nan 8.270 nan 0.000 0.446 955 K N -0.923 119.477 120.400 -0.001 0.000 2.262 955 K HA 0.097 4.415 4.320 -0.003 0.000 0.200 955 K C 1.681 178.281 176.600 -0.000 0.000 1.049 955 K CA 0.857 57.144 56.287 -0.001 0.000 0.979 955 K CB 0.143 32.644 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 0.020 4.339 4.320 -0.003 0.000 0.215 956 A C 2.132 179.717 177.584 0.001 0.000 1.176 956 A CA 0.862 52.899 52.037 0.001 0.000 0.632 956 A CB -0.413 18.588 19.000 0.002 0.000 0.819 956 A HN 0.124 nan 8.150 nan 0.000 0.445 957 V N 0.852 120.766 119.914 0.001 0.000 2.427 957 V HA -0.220 3.899 4.120 -0.003 0.000 0.248 957 V C 3.052 179.146 176.094 -0.000 0.000 1.051 957 V CA 2.392 64.693 62.300 0.001 0.000 1.048 957 V CB -0.526 31.297 31.823 0.000 0.000 0.666 957 V HN 0.817 nan 8.190 nan 0.000 0.456 958 S N -0.267 115.432 115.700 -0.003 0.000 2.383 958 S HA -0.139 4.330 4.470 -0.003 0.000 0.227 958 S C 2.067 176.664 174.600 -0.005 0.000 1.026 958 S CA 1.543 59.738 58.200 -0.007 0.000 0.981 958 S CB -0.527 62.667 63.200 -0.010 0.000 0.818 958 S HN 0.551 nan 8.310 nan 0.000 0.472 959 I N 0.637 121.206 120.570 -0.001 0.000 2.756 959 I HA -0.065 4.104 4.170 -0.003 0.000 0.262 959 I C 2.199 178.320 176.117 0.006 0.000 1.225 959 I CA 1.237 62.538 61.300 0.002 0.000 1.472 959 I CB -0.093 37.909 38.000 0.003 0.000 1.094 959 I HN 0.349 nan 8.210 nan 0.000 0.454 960 E N -0.012 120.192 120.200 0.007 0.000 2.127 960 E HA -0.090 4.258 4.350 -0.003 0.000 0.191 960 E C 2.101 178.711 176.600 0.017 0.000 0.964 960 E CA 1.538 57.944 56.400 0.011 0.000 0.832 960 E CB -0.151 29.554 29.700 0.009 0.000 0.790 960 E HN 0.538 nan 8.360 nan 0.000 0.465 961 T N -0.520 114.043 114.554 0.014 0.000 2.929 961 T HA -0.004 4.344 4.350 -0.003 0.000 0.271 961 T C 1.937 176.658 174.700 0.034 0.000 1.085 961 T CA 1.137 63.250 62.100 0.022 0.000 1.125 961 T CB -0.046 68.828 68.868 0.009 0.000 0.874 961 T HN 0.083 nan 8.240 nan 0.000 0.494 962 A N 0.834 123.666 122.820 0.019 0.000 2.021 962 A HA 0.420 4.739 4.320 -0.003 0.000 0.216 962 A C 2.273 179.889 177.584 0.053 0.000 1.163 962 A CA 0.422 52.471 52.037 0.020 0.000 0.676 962 A CB -0.529 18.469 19.000 -0.003 0.000 0.818 962 A HN 0.511 nan 8.150 nan 0.000 0.453 963 L N -1.085 120.163 121.223 0.041 0.000 2.209 963 L HA -0.026 4.313 4.340 -0.003 0.000 0.207 963 L C 2.480 179.377 176.870 0.044 0.000 1.094 963 L CA 0.840 55.703 54.840 0.039 0.000 0.790 963 L CB -0.184 41.889 42.059 0.023 0.000 0.932 963 L HN 0.464 nan 8.230 nan 0.000 0.447 964 E N -0.549 119.681 120.200 0.049 0.000 2.150 964 E HA -0.272 4.077 4.350 -0.003 0.000 0.193 964 E C 1.894 178.523 176.600 0.047 0.000 0.985 964 E CA 1.065 57.489 56.400 0.039 0.000 0.814 964 E CB 0.144 29.867 29.700 0.038 0.000 0.752 964 E HN 0.498 nan 8.360 nan 0.000 0.466 965 H N 0.468 119.528 119.070 -0.015 0.000 2.326 965 H HA 0.021 4.576 4.556 -0.003 0.000 0.301 965 H C 1.892 177.209 175.328 -0.018 0.000 1.081 965 H CA 1.581 57.616 56.048 -0.021 0.000 1.334 965 H CB 0.278 30.023 29.762 -0.029 0.000 1.385 965 H HN -0.088 nan 8.280 nan 0.000 0.504 966 K N -0.561 119.892 120.400 0.088 0.000 2.283 966 K HA -0.073 4.245 4.320 -0.003 0.000 0.202 966 K C 1.831 178.428 176.600 -0.006 0.000 1.048 966 K CA 0.830 57.139 56.287 0.037 0.000 0.948 966 K CB 0.227 32.755 32.500 0.047 0.000 0.742 966 K HN 0.124 nan 8.250 nan 0.000 0.458 967 V N -0.158 119.748 119.914 -0.013 0.000 2.278 967 V HA -0.177 3.941 4.120 -0.003 0.000 0.238 967 V C 2.056 178.119 176.094 -0.052 0.000 1.039 967 V CA 1.148 63.434 62.300 -0.023 0.000 1.017 967 V CB -0.131 31.685 31.823 -0.013 0.000 0.657 967 V HN 0.014 nan 8.190 nan 0.000 0.462 968 V N 0.956 120.825 119.914 -0.076 0.000 2.324 968 V HA -0.235 3.883 4.120 -0.003 0.000 0.250 968 V C 1.541 177.555 176.094 -0.134 0.000 1.060 968 V CA 2.148 64.386 62.300 -0.102 0.000 1.042 968 V CB -0.553 31.197 31.823 -0.122 0.000 0.650 968 V HN 0.596 nan 8.190 nan 0.000 0.450 969 N N -0.383 118.198 118.700 -0.199 0.000 2.282 969 N HA 0.296 5.034 4.740 -0.003 0.000 0.240 969 N C 0.524 175.969 175.510 -0.108 0.000 1.182 969 N CA 0.851 53.775 53.050 -0.210 0.000 0.874 969 N CB 1.001 39.221 38.487 -0.445 0.000 1.126 969 N HN 0.518 nan 8.380 nan 0.000 0.516 970 G N 2.587 111.349 108.800 -0.064 0.000 2.892 970 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.686 970 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.686 970 G C 0.605 175.507 174.900 0.003 0.000 1.244 970 G CA -0.102 44.984 45.100 -0.022 0.000 0.947 970 G HN 0.439 nan 8.290 nan 0.000 0.584 971 N N 0.038 118.747 118.700 0.015 0.000 2.398 971 N HA 0.033 4.771 4.740 -0.003 0.000 0.188 971 N C 1.639 177.173 175.510 0.039 0.000 1.122 971 N CA 1.232 54.300 53.050 0.031 0.000 0.866 971 N CB 0.279 38.782 38.487 0.026 0.000 0.970 971 N HN 0.377 nan 8.380 nan 0.000 0.462 972 S N -0.315 115.407 115.700 0.035 0.000 2.503 972 S HA 0.294 4.762 4.470 -0.003 0.000 0.217 972 S C 1.750 176.389 174.600 0.064 0.000 0.999 972 S CA 0.285 58.511 58.200 0.043 0.000 0.914 972 S CB 0.116 63.334 63.200 0.030 0.000 0.782 972 S HN 0.605 nan 8.310 nan 0.000 0.520 973 A N 1.391 124.252 122.820 0.068 0.000 2.081 973 A HA 0.042 4.360 4.320 -0.003 0.000 0.214 973 A C 1.335 179.013 177.584 0.157 0.000 1.158 973 A CA 0.836 52.935 52.037 0.104 0.000 0.724 973 A CB -0.101 18.936 19.000 0.061 0.000 0.826 973 A HN 0.285 nan 8.150 nan 0.000 0.463 974 D N -0.125 120.345 120.400 0.117 0.000 2.346 974 D HA 0.201 4.839 4.640 -0.003 0.000 0.206 974 D C 1.891 178.279 176.300 0.147 0.000 1.001 974 D CA 0.977 55.053 54.000 0.128 0.000 0.871 974 D CB -0.075 40.781 40.800 0.093 0.000 0.943 974 D HN 0.387 nan 8.370 nan 0.000 0.518 975 A N 0.948 123.836 122.820 0.113 0.000 1.970 975 A HA 0.165 4.483 4.320 -0.003 0.000 0.216 975 A C 2.044 179.678 177.584 0.083 0.000 1.170 975 A CA 1.270 53.357 52.037 0.084 0.000 0.645 975 A CB -0.234 18.800 19.000 0.056 0.000 0.816 975 A HN 0.177 nan 8.150 nan 0.000 0.447 976 A N -2.736 120.145 122.820 0.102 0.000 2.327 976 A HA 0.399 4.717 4.320 -0.003 0.000 0.228 976 A C 1.111 178.691 177.584 -0.006 0.000 1.275 976 A CA 0.201 52.264 52.037 0.043 0.000 0.875 976 A CB -0.529 18.488 19.000 0.027 0.000 0.925 976 A HN 0.548 nan 8.150 nan 0.000 0.493 977 Y N -1.250 119.059 120.300 0.015 0.000 2.426 977 Y HA 0.456 5.004 4.550 -0.003 0.000 0.249 977 Y C 1.437 177.342 175.900 0.008 0.000 1.103 977 Y CA 0.066 58.173 58.100 0.013 0.000 1.256 977 Y CB 0.442 38.913 38.460 0.018 0.000 1.208 977 Y HN 0.322 nan 8.280 nan 0.000 0.519 978 A N 0.761 123.655 122.820 0.124 0.000 2.351 978 A HA 0.401 4.720 4.320 -0.003 0.000 0.257 978 A C -0.113 177.488 177.584 0.029 0.000 1.087 978 A CA -0.368 51.712 52.037 0.071 0.000 0.798 978 A CB 0.303 19.336 19.000 0.056 0.000 1.033 978 A HN 0.402 nan 8.150 nan 0.000 0.488 979 Q N -0.373 119.440 119.800 0.022 0.000 2.199 979 Q HA 0.539 4.878 4.340 -0.003 0.000 0.232 979 Q C -0.778 175.226 176.000 0.006 0.000 0.969 979 Q CA -0.691 55.114 55.803 0.004 0.000 0.925 979 Q CB 1.443 30.184 28.738 0.005 0.000 1.198 979 Q HN 0.502 nan 8.270 nan 0.000 0.494 980 V N 0.501 120.415 119.914 0.000 0.000 2.370 980 V HA 0.261 4.379 4.120 -0.003 0.000 0.279 980 V C -0.212 175.885 176.094 0.005 0.000 1.029 980 V CA -0.778 61.524 62.300 0.004 0.000 0.870 980 V CB 0.881 32.704 31.823 -0.000 0.000 0.984 980 V HN 0.652 nan 8.190 nan 0.000 0.451 981 E N 4.051 124.257 120.200 0.010 0.000 2.383 981 E HA 0.437 4.786 4.350 -0.003 0.000 0.264 981 E C -0.706 175.901 176.600 0.012 0.000 1.050 981 E CA -0.200 56.206 56.400 0.011 0.000 0.896 981 E CB 1.250 30.958 29.700 0.014 0.000 0.982 981 E HN 0.571 nan 8.360 nan 0.000 0.424 982 I N 2.841 123.418 120.570 0.011 0.000 2.404 982 I HA 0.173 4.341 4.170 -0.003 0.000 0.293 982 I C -0.120 176.008 176.117 0.018 0.000 0.992 982 I CA -0.790 60.518 61.300 0.013 0.000 1.149 982 I CB 1.450 39.455 38.000 0.008 0.000 1.315 982 I HN 0.301 nan 8.210 nan 0.000 0.446 983 Q N 6.616 126.431 119.800 0.024 0.000 2.293 983 Q HA 0.444 4.783 4.340 -0.003 0.000 0.261 983 Q C -2.196 173.826 176.000 0.036 0.000 0.960 983 Q CA -1.610 54.212 55.803 0.032 0.000 0.882 983 Q CB 2.248 31.010 28.738 0.040 0.000 1.275 983 Q HN 0.409 nan 8.270 nan 0.000 0.445 984 P HA 0.199 nan 4.420 nan 0.000 0.271 984 P C -0.649 176.687 177.300 0.061 0.000 1.216 984 P CA -0.026 63.100 63.100 0.042 0.000 0.776 984 P CB 1.191 32.916 31.700 0.042 0.000 0.881 985 R N 0.786 121.322 120.500 0.059 0.000 2.873 985 R HA 0.699 5.037 4.340 -0.003 0.000 0.264 985 R C -0.366 175.990 176.300 0.094 0.000 1.026 985 R CA -1.066 55.084 56.100 0.084 0.000 1.002 985 R CB 1.725 32.060 30.300 0.059 0.000 1.174 985 R HN 0.525 nan 8.270 nan 0.000 0.488 986 A N 1.481 124.386 122.820 0.141 0.000 2.362 986 A HA 0.152 4.470 4.320 -0.003 0.000 0.276 986 A C -0.213 177.463 177.584 0.153 0.000 1.153 986 A CA -0.297 51.837 52.037 0.161 0.000 0.813 986 A CB 0.062 19.194 19.000 0.220 0.000 1.081 986 A HN 0.714 nan 8.150 nan 0.000 0.507 987 N N 4.035 122.822 118.700 0.145 0.000 3.012 987 N HA 0.149 4.888 4.740 -0.003 0.000 0.270 987 N C -0.379 175.290 175.510 0.265 0.000 1.469 987 N CA -0.413 52.734 53.050 0.162 0.000 0.928 987 N CB 0.149 38.687 38.487 0.084 0.000 1.219 987 N HN 0.557 nan 8.380 nan 0.000 0.492 988 I N 1.522 122.322 120.570 0.383 0.000 2.906 988 I HA -0.107 4.061 4.170 -0.003 0.000 0.302 988 I C 0.742 177.074 176.117 0.359 0.000 1.220 988 I CA 0.988 62.489 61.300 0.334 0.000 1.441 988 I CB 0.044 38.230 38.000 0.311 0.000 1.336 988 I HN 0.306 nan 8.210 nan 0.000 0.565 989 Q N 5.210 125.110 119.800 0.167 0.000 2.377 989 Q HA 0.392 4.731 4.340 -0.003 0.000 0.271 989 Q C 0.760 176.750 176.000 -0.016 0.000 1.077 989 Q CA -0.864 55.010 55.803 0.119 0.000 0.820 989 Q CB 2.896 31.677 28.738 0.073 0.000 1.347 989 Q HN 0.554 nan 8.270 nan 0.000 0.444 990 L N 0.379 121.569 121.223 -0.055 0.000 2.275 990 L HA -0.117 4.221 4.340 -0.003 0.000 0.215 990 L C 0.053 176.997 176.870 0.124 0.000 1.119 990 L CA 0.787 55.585 54.840 -0.070 0.000 0.790 990 L CB -0.137 41.863 42.059 -0.099 0.000 0.919 990 L HN 0.825 nan 8.230 nan 0.000 0.443 991 D N -0.815 119.659 120.400 0.123 0.000 2.746 991 D HA -0.209 4.430 4.640 -0.003 0.000 0.241 991 D C -0.116 176.416 176.300 0.387 0.000 1.140 991 D CA 0.254 54.375 54.000 0.202 0.000 0.707 991 D CB -0.751 40.155 40.800 0.176 0.000 1.034 991 D HN -0.110 nan 8.370 nan 0.000 0.423 992 F N -0.104 119.891 119.950 0.075 0.000 2.480 992 F HA 0.383 4.909 4.527 -0.003 0.000 0.319 992 F C -0.927 174.865 175.800 -0.014 0.000 1.230 992 F CA -1.780 56.236 58.000 0.027 0.000 1.285 992 F CB -0.574 38.404 39.000 -0.036 0.000 1.208 992 F HN 0.007 nan 8.300 nan 0.000 0.579 993 P HA 0.165 nan 4.420 nan 0.000 0.279 993 P C -0.884 176.457 177.300 0.067 0.000 1.252 993 P CA -0.499 62.601 63.100 -0.000 0.000 0.811 993 P CB 0.631 32.230 31.700 -0.168 0.000 1.035 994 E N 1.073 121.330 120.200 0.094 0.000 2.229 994 E HA 0.255 4.604 4.350 -0.003 0.000 0.283 994 E C -0.483 176.181 176.600 0.107 0.000 1.030 994 E CA -0.248 56.208 56.400 0.094 0.000 0.836 994 E CB 0.462 30.221 29.700 0.099 0.000 1.068 994 E HN 0.374 nan 8.360 nan 0.000 0.401 995 L N 3.986 125.251 121.223 0.070 0.000 2.265 995 L HA 0.308 4.647 4.340 -0.003 0.000 0.289 995 L C 0.830 177.766 176.870 0.110 0.000 1.033 995 L CA -0.461 54.423 54.840 0.072 0.000 0.814 995 L CB 0.833 42.867 42.059 -0.041 0.000 1.203 995 L HN 0.127 nan 8.230 nan 0.000 0.423 996 K N 3.434 123.916 120.400 0.137 0.000 2.107 996 K HA 0.375 4.693 4.320 -0.003 0.000 0.251 996 K C -2.296 174.383 176.600 0.132 0.000 1.012 996 K CA -1.747 54.597 56.287 0.095 0.000 0.920 996 K CB 0.321 32.846 32.500 0.042 0.000 1.033 996 K HN 0.224 nan 8.250 nan 0.000 0.478 997 P HA -0.110 nan 4.420 nan 0.000 0.265 997 P C -0.107 177.229 177.300 0.060 0.000 1.187 997 P CA 0.356 63.523 63.100 0.112 0.000 0.766 997 P CB 0.205 31.944 31.700 0.065 0.000 0.820 998 Y N 5.165 125.437 120.300 -0.046 0.000 2.256 998 Y HA -0.309 4.239 4.550 -0.003 0.000 0.288 998 Y C 2.105 177.911 175.900 -0.157 0.000 1.155 998 Y CA 1.939 59.889 58.100 -0.249 0.000 1.203 998 Y CB -0.261 38.094 38.460 -0.176 0.000 0.980 998 Y HN 0.344 nan 8.280 nan 0.000 0.530 999 K N -0.179 120.225 120.400 0.007 0.000 2.044 999 K HA -0.283 4.035 4.320 -0.003 0.000 0.210 999 K C 1.751 178.267 176.600 -0.141 0.000 1.049 999 K CA 2.222 58.481 56.287 -0.047 0.000 0.927 999 K CB -0.684 31.825 32.500 0.014 0.000 0.713 999 K HN 0.469 nan 8.250 nan 0.000 0.443 1000 Q N 0.913 120.640 119.800 -0.122 0.000 2.187 1000 Q HA -0.028 4.310 4.340 -0.003 0.000 0.199 1000 Q C 2.340 178.223 176.000 -0.196 0.000 0.957 1000 Q CA 1.114 56.843 55.803 -0.124 0.000 0.857 1000 Q CB -0.092 28.603 28.738 -0.072 0.000 0.929 1000 Q HN 0.149 nan 8.270 nan 0.000 0.453 1001 V N 1.716 121.456 119.914 -0.290 0.000 2.287 1001 V HA -0.247 3.871 4.120 -0.003 0.000 0.248 1001 V C 2.139 178.000 176.094 -0.388 0.000 1.053 1001 V CA 1.728 63.812 62.300 -0.359 0.000 1.027 1001 V CB -0.417 31.067 31.823 -0.565 0.000 0.646 1001 V HN 0.276 nan 8.190 nan 0.000 0.447 1002 K N -0.576 119.508 120.400 -0.527 0.000 2.504 1002 K HA -0.098 4.221 4.320 -0.003 0.000 0.195 1002 K C 2.082 178.558 176.600 -0.206 0.000 1.036 1002 K CA 0.526 56.572 56.287 -0.403 0.000 0.984 1002 K CB 0.058 32.275 32.500 -0.473 0.000 0.788 1002 K HN 0.473 nan 8.250 nan 0.000 0.488 1003 Q N -0.055 119.635 119.800 -0.184 0.000 2.331 1003 Q HA 0.002 4.340 4.340 -0.003 0.000 0.203 1003 Q C 1.931 177.874 176.000 -0.094 0.000 0.944 1003 Q CA 0.584 56.318 55.803 -0.116 0.000 0.892 1003 Q CB 0.220 28.895 28.738 -0.104 0.000 0.983 1003 Q HN 0.381 nan 8.270 nan 0.000 0.482 1004 I N 0.595 121.084 120.570 -0.135 0.000 2.110 1004 I HA -0.142 4.026 4.170 -0.003 0.000 0.236 1004 I C 1.206 177.330 176.117 0.012 0.000 1.068 1004 I CA 0.666 61.877 61.300 -0.148 0.000 1.333 1004 I CB -0.195 37.589 38.000 -0.360 0.000 1.054 1004 I HN -0.047 nan 8.210 nan 0.000 0.402 1005 A N 0.619 123.463 122.820 0.041 0.000 2.282 1005 A HA 0.550 4.869 4.320 -0.003 0.000 0.319 1005 A C -2.362 175.269 177.584 0.079 0.000 1.121 1005 A CA -1.413 50.735 52.037 0.185 0.000 0.836 1005 A CB -0.211 18.950 19.000 0.270 0.000 1.146 1005 A HN -0.019 nan 8.150 nan 0.000 0.494 1006 P HA 0.213 nan 4.420 nan 0.000 0.269 1006 P C 0.618 177.931 177.300 0.021 0.000 1.209 1006 P CA 0.496 63.617 63.100 0.036 0.000 0.776 1006 P CB 0.772 32.490 31.700 0.030 0.000 0.876 1007 A N 2.656 125.479 122.820 0.004 0.000 2.067 1007 A HA -0.175 4.144 4.320 -0.003 0.000 0.219 1007 A C 1.765 179.354 177.584 0.008 0.000 1.158 1007 A CA 1.384 53.423 52.037 0.003 0.000 0.661 1007 A CB -0.906 18.093 19.000 -0.002 0.000 0.801 1007 A HN 0.527 nan 8.150 nan 0.000 0.452 1008 E N -0.538 119.662 120.200 0.000 0.000 2.204 1008 E HA -0.149 4.200 4.350 -0.003 0.000 0.195 1008 E C 1.712 178.310 176.600 -0.003 0.000 0.990 1008 E CA 0.839 57.232 56.400 -0.011 0.000 0.821 1008 E CB -0.354 29.330 29.700 -0.027 0.000 0.750 1008 E HN 0.572 nan 8.360 nan 0.000 0.477 1009 L N 1.275 122.508 121.223 0.017 0.000 2.191 1009 L HA -0.080 4.258 4.340 -0.003 0.000 0.212 1009 L C 0.775 177.672 176.870 0.045 0.000 1.103 1009 L CA 1.094 55.953 54.840 0.032 0.000 0.769 1009 L CB -0.221 41.881 42.059 0.071 0.000 0.908 1009 L HN 0.009 nan 8.230 nan 0.000 0.438 1010 E N -0.085 120.144 120.200 0.049 0.000 2.614 1010 E HA 0.183 4.531 4.350 -0.003 0.000 0.245 1010 E C 1.137 177.768 176.600 0.051 0.000 1.039 1010 E CA 0.668 57.108 56.400 0.066 0.000 0.948 1010 E CB -0.396 29.348 29.700 0.073 0.000 0.937 1010 E HN 0.517 nan 8.360 nan 0.000 0.498 1011 G N 3.848 112.684 108.800 0.059 0.000 2.168 1011 G HA2 -0.306 3.652 3.960 -0.003 0.000 0.263 1011 G HA3 -0.306 3.652 3.960 -0.003 0.000 0.263 1011 G C 0.526 175.447 174.900 0.035 0.000 0.977 1011 G CA 0.377 45.505 45.100 0.046 0.000 0.659 1011 G HN 0.576 nan 8.290 nan 0.000 0.533 1012 L N -0.065 121.178 121.223 0.032 0.000 2.131 1012 L HA 0.441 4.780 4.340 -0.003 0.000 0.206 1012 L C 1.507 178.400 176.870 0.039 0.000 1.087 1012 L CA 1.193 56.049 54.840 0.028 0.000 0.767 1012 L CB -0.074 41.990 42.059 0.008 0.000 0.917 1012 L HN 0.351 nan 8.230 nan 0.000 0.441 1013 L N 0.957 122.201 121.223 0.036 0.000 2.305 1013 L HA 0.186 4.524 4.340 -0.003 0.000 0.281 1013 L C -0.289 176.605 176.870 0.041 0.000 1.085 1013 L CA -0.575 54.285 54.840 0.034 0.000 0.813 1013 L CB 0.596 42.675 42.059 0.034 0.000 1.157 1013 L HN 0.019 nan 8.230 nan 0.000 0.436 1014 D N 3.782 124.202 120.400 0.033 0.000 2.346 1014 D HA 0.047 4.685 4.640 -0.003 0.000 0.267 1014 D C 0.905 177.227 176.300 0.036 0.000 1.320 1014 D CA 0.154 54.172 54.000 0.029 0.000 0.951 1014 D CB 0.787 41.596 40.800 0.015 0.000 1.079 1014 D HN 0.404 nan 8.370 nan 0.000 0.509 1015 L N 2.758 124.006 121.223 0.042 0.000 2.622 1015 L HA 0.009 4.347 4.340 -0.003 0.000 0.233 1015 L C 1.847 178.741 176.870 0.040 0.000 1.156 1015 L CA 0.400 55.268 54.840 0.047 0.000 0.866 1015 L CB -0.144 41.942 42.059 0.046 0.000 0.980 1015 L HN 0.432 nan 8.230 nan 0.000 0.448 1016 E N 0.536 120.757 120.200 0.035 0.000 2.502 1016 E HA -0.006 4.343 4.350 -0.003 0.000 0.194 1016 E C 0.926 177.543 176.600 0.029 0.000 1.062 1016 E CA 0.146 56.566 56.400 0.033 0.000 0.867 1016 E CB 0.381 30.099 29.700 0.030 0.000 0.888 1016 E HN 0.395 nan 8.360 nan 0.000 0.510 1017 R N -0.104 120.414 120.500 0.029 0.000 2.615 1017 R HA 0.216 4.554 4.340 -0.003 0.000 0.448 1017 R C -0.977 175.349 176.300 0.042 0.000 1.009 1017 R CA -0.114 56.001 56.100 0.024 0.000 1.111 1017 R CB 1.652 31.955 30.300 0.006 0.000 1.461 1017 R HN -0.129 nan 8.270 nan 0.000 0.587 1018 V N 3.167 123.116 119.914 0.058 0.000 2.334 1018 V HA 0.314 4.433 4.120 -0.003 0.000 0.281 1018 V C 0.128 176.258 176.094 0.061 0.000 1.016 1018 V CA -0.732 61.622 62.300 0.090 0.000 0.832 1018 V CB 1.684 33.580 31.823 0.122 0.000 0.999 1018 V HN 0.172 nan 8.190 nan 0.000 0.439 1019 I N 5.866 126.469 120.570 0.056 0.000 2.352 1019 I HA 0.370 4.538 4.170 -0.003 0.000 0.290 1019 I C 0.092 176.220 176.117 0.019 0.000 1.036 1019 I CA 0.065 61.385 61.300 0.033 0.000 1.336 1019 I CB 1.221 39.237 38.000 0.028 0.000 1.407 1019 I HN 0.237 nan 8.210 nan 0.000 0.497 1020 V N 7.235 127.155 119.914 0.010 0.000 2.735 1020 V HA 0.413 4.532 4.120 -0.003 0.000 0.310 1020 V C -0.098 176.004 176.094 0.013 0.000 1.061 1020 V CA -0.777 61.520 62.300 -0.005 0.000 0.913 1020 V CB 3.034 34.844 31.823 -0.021 0.000 1.005 1020 V HN 0.420 nan 8.190 nan 0.000 0.428 1021 V N 4.016 123.945 119.914 0.025 0.000 2.432 1021 V HA 0.297 4.416 4.120 -0.003 0.000 0.275 1021 V C 0.909 177.098 176.094 0.159 0.000 1.043 1021 V CA 0.241 62.579 62.300 0.064 0.000 0.925 1021 V CB 1.290 33.136 31.823 0.038 0.000 0.985 1021 V HN 1.053 nan 8.190 nan 0.000 0.466 1022 T N 2.987 117.626 114.554 0.141 0.000 3.018 1022 T HA 0.373 4.721 4.350 -0.003 0.000 0.246 1022 T C 0.550 175.387 174.700 0.228 0.000 1.026 1022 T CA 0.781 62.973 62.100 0.154 0.000 1.081 1022 T CB 0.612 69.507 68.868 0.046 0.000 0.970 1022 T HN 0.863 nan 8.240 nan 0.000 0.475 1023 G N 0.816 109.683 108.800 0.111 0.000 2.660 1023 G HA2 0.608 4.567 3.960 -0.003 0.000 0.290 1023 G HA3 0.608 4.567 3.960 -0.003 0.000 0.290 1023 G C -1.989 172.921 174.900 0.016 0.000 1.432 1023 G CA -0.885 44.196 45.100 -0.031 0.000 0.807 1023 G HN 0.271 nan 8.290 nan 0.000 0.485 1024 F N -2.050 117.745 119.950 -0.257 0.000 2.744 1024 F HA 0.897 5.423 4.527 -0.003 0.000 0.311 1024 F C -0.501 175.246 175.800 -0.088 0.000 1.144 1024 F CA -0.898 57.003 58.000 -0.164 0.000 0.938 1024 F CB 1.227 40.109 39.000 -0.196 0.000 1.292 1024 F HN 1.357 nan 8.300 nan 0.000 0.444 1025 A N 1.216 124.113 122.820 0.129 0.000 2.586 1025 A HA 0.820 5.138 4.320 -0.003 0.000 0.290 1025 A C -1.754 175.958 177.584 0.212 0.000 1.086 1025 A CA -0.445 51.647 52.037 0.091 0.000 0.665 1025 A CB 2.036 21.074 19.000 0.063 0.000 1.279 1025 A HN 1.162 nan 8.150 nan 0.000 0.423 1026 E N -0.395 119.911 120.200 0.177 0.000 2.413 1026 E HA 0.658 5.007 4.350 -0.003 0.000 0.277 1026 E C -1.730 174.953 176.600 0.138 0.000 0.958 1026 E CA -0.996 55.522 56.400 0.197 0.000 0.779 1026 E CB 2.069 31.810 29.700 0.069 0.000 1.278 1026 E HN 0.439 nan 8.360 nan 0.000 0.456 1027 V N 1.023 121.031 119.914 0.156 0.000 2.378 1027 V HA 0.804 4.922 4.120 -0.003 0.000 0.288 1027 V C 0.118 176.167 176.094 -0.076 0.000 1.016 1027 V CA 0.220 62.531 62.300 0.019 0.000 0.840 1027 V CB 0.994 32.787 31.823 -0.050 0.000 0.994 1027 V HN 0.886 nan 8.190 nan 0.000 0.431 1028 G N 4.674 113.362 108.800 -0.186 0.000 2.606 1028 G HA2 0.530 4.489 3.960 -0.003 0.000 0.300 1028 G HA3 0.530 4.489 3.960 -0.003 0.000 0.300 1028 G C -2.772 172.004 174.900 -0.206 0.000 1.360 1028 G CA -0.772 44.190 45.100 -0.230 0.000 0.783 1028 G HN 0.368 nan 8.290 nan 0.000 0.484 1029 P HA -0.065 nan 4.420 nan 0.000 0.218 1029 P C 0.418 177.506 177.300 -0.353 0.000 1.146 1029 P CA 1.342 64.303 63.100 -0.231 0.000 0.813 1029 P CB 0.164 31.764 31.700 -0.167 0.000 0.778 1030 W N -1.149 120.105 121.300 -0.078 0.000 2.862 1030 W HA 0.431 5.089 4.660 -0.003 0.000 0.426 1030 W C 1.223 177.795 176.519 0.088 0.000 0.950 1030 W CA 0.485 57.846 57.345 0.027 0.000 2.150 1030 W CB 0.446 29.900 29.460 -0.011 0.000 1.161 1030 W HN 0.048 nan 8.180 nan 0.000 0.696 1031 G N 0.767 109.694 108.800 0.211 0.000 2.936 1031 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.237 1031 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.237 1031 G C 0.161 175.199 174.900 0.230 0.000 1.403 1031 G CA -0.047 45.212 45.100 0.265 0.000 1.011 1031 G HN 0.415 nan 8.290 nan 0.000 0.568 1032 S N -0.184 115.672 115.700 0.260 0.000 2.751 1032 S HA 0.817 5.285 4.470 -0.003 0.000 0.310 1032 S C 1.558 176.261 174.600 0.171 0.000 1.128 1032 S CA 0.642 58.970 58.200 0.213 0.000 0.931 1032 S CB 1.475 64.842 63.200 0.279 0.000 1.177 1032 S HN 2.310 nan 8.310 nan 0.000 0.530 1033 A N 0.718 123.623 122.820 0.141 0.000 2.032 1033 A HA -0.123 4.195 4.320 -0.003 0.000 0.221 1033 A C 2.267 179.989 177.584 0.231 0.000 1.165 1033 A CA 1.573 53.714 52.037 0.173 0.000 0.645 1033 A CB -0.794 18.311 19.000 0.175 0.000 0.807 1033 A HN 0.825 nan 8.150 nan 0.000 0.453 1034 R N -1.023 119.602 120.500 0.208 0.000 2.055 1034 R HA -0.071 4.267 4.340 -0.003 0.000 0.228 1034 R C 2.610 179.108 176.300 0.329 0.000 1.143 1034 R CA 1.889 58.138 56.100 0.249 0.000 0.945 1034 R CB -0.674 29.732 30.300 0.177 0.000 0.841 1034 R HN 0.731 nan 8.270 nan 0.000 0.429 1035 T N -0.571 114.185 114.554 0.336 0.000 2.857 1035 T HA -0.075 4.273 4.350 -0.003 0.000 0.266 1035 T C 1.990 176.931 174.700 0.401 0.000 1.048 1035 T CA 0.591 62.964 62.100 0.455 0.000 1.139 1035 T CB -0.111 69.042 68.868 0.476 0.000 0.874 1035 T HN 0.039 nan 8.240 nan 0.000 0.455 1036 R N 0.195 120.872 120.500 0.296 0.000 2.062 1036 R HA -0.084 4.255 4.340 -0.003 0.000 0.231 1036 R C 2.283 178.618 176.300 0.059 0.000 1.136 1036 R CA 1.626 57.814 56.100 0.147 0.000 0.948 1036 R CB -0.980 29.378 30.300 0.097 0.000 0.845 1036 R HN 0.738 nan 8.270 nan 0.000 0.430 1037 W N 2.128 123.433 121.300 0.007 0.000 2.325 1037 W HA -0.212 4.447 4.660 -0.003 0.000 0.299 1037 W C 1.345 177.833 176.519 -0.052 0.000 1.215 1037 W CA 1.408 58.741 57.345 -0.021 0.000 1.244 1037 W CB -0.070 29.424 29.460 0.057 0.000 1.140 1037 W HN 0.258 nan 8.180 nan 0.000 0.523 1038 E N 0.170 120.371 120.200 0.001 0.000 2.077 1038 E HA -0.296 4.052 4.350 -0.003 0.000 0.193 1038 E C 2.056 178.491 176.600 -0.275 0.000 0.989 1038 E CA 1.879 58.281 56.400 0.003 0.000 0.800 1038 E CB -0.434 29.386 29.700 0.200 0.000 0.746 1038 E HN 0.221 nan 8.360 nan 0.000 0.452 1039 M N 0.920 120.249 119.600 -0.451 0.000 2.200 1039 M HA -0.121 4.357 4.480 -0.003 0.000 0.265 1039 M C 1.957 177.891 176.300 -0.610 0.000 1.066 1039 M CA 1.539 56.405 55.300 -0.724 0.000 1.127 1039 M CB 0.042 31.973 32.600 -1.116 0.000 1.379 1039 M HN -0.017 nan 8.290 nan 0.000 0.420 1040 E N -0.529 119.338 120.200 -0.555 0.000 2.072 1040 E HA -0.142 4.207 4.350 -0.003 0.000 0.191 1040 E C 1.683 177.961 176.600 -0.536 0.000 0.985 1040 E CA 1.347 57.477 56.400 -0.449 0.000 0.801 1040 E CB -0.146 29.369 29.700 -0.307 0.000 0.750 1040 E HN 0.558 nan 8.360 nan 0.000 0.452 1041 A N -0.858 121.373 122.820 -0.982 0.000 2.081 1041 A HA 0.113 4.432 4.320 -0.003 0.000 0.214 1041 A C 1.388 178.295 177.584 -1.129 0.000 1.158 1041 A CA 0.437 51.678 52.037 -1.327 0.000 0.724 1041 A CB -0.124 17.428 19.000 -2.414 0.000 0.826 1041 A HN 0.371 nan 8.150 nan 0.000 0.463 1042 F N -2.515 117.185 119.950 -0.417 0.000 2.699 1042 F HA 0.379 4.905 4.527 -0.003 0.000 0.295 1042 F C 1.899 177.544 175.800 -0.257 0.000 1.052 1042 F CA 0.499 58.327 58.000 -0.286 0.000 1.239 1042 F CB 0.562 39.411 39.000 -0.251 0.000 1.018 1042 F HN 0.320 nan 8.300 nan 0.000 0.627 1043 G N 1.116 109.799 108.800 -0.194 0.000 2.199 1043 G HA2 -0.243 3.716 3.960 -0.003 0.000 0.254 1043 G HA3 -0.243 3.716 3.960 -0.003 0.000 0.254 1043 G C 0.014 174.759 174.900 -0.258 0.000 0.982 1043 G CA 0.373 45.332 45.100 -0.235 0.000 0.632 1043 G HN 0.480 nan 8.290 nan 0.000 0.529 1044 E N -0.625 119.430 120.200 -0.242 0.000 2.413 1044 E HA 0.702 5.050 4.350 -0.003 0.000 0.277 1044 E C -0.968 175.469 176.600 -0.271 0.000 0.958 1044 E CA -1.354 54.903 56.400 -0.240 0.000 0.779 1044 E CB 1.048 30.710 29.700 -0.063 0.000 1.278 1044 E HN 0.063 nan 8.360 nan 0.000 0.456 1045 F N 1.250 121.221 119.950 0.036 0.000 2.370 1045 F HA 0.281 4.807 4.527 -0.003 0.000 0.324 1045 F C 1.385 177.202 175.800 0.027 0.000 1.116 1045 F CA -0.201 57.831 58.000 0.052 0.000 1.123 1045 F CB 1.413 40.465 39.000 0.086 0.000 1.238 1045 F HN 0.613 nan 8.300 nan 0.000 0.536 1046 S N 1.585 117.419 115.700 0.224 0.000 2.546 1046 S HA 0.247 4.715 4.470 -0.003 0.000 0.265 1046 S C 1.140 175.826 174.600 0.143 0.000 1.190 1046 S CA -0.666 57.605 58.200 0.118 0.000 1.014 1046 S CB 0.245 63.491 63.200 0.076 0.000 1.087 1046 S HN 0.736 nan 8.310 nan 0.000 0.525 1047 L N 0.450 121.735 121.223 0.104 0.000 2.027 1047 L HA -0.073 4.266 4.340 -0.003 0.000 0.206 1047 L C 2.496 179.437 176.870 0.118 0.000 1.074 1047 L CA 1.862 56.765 54.840 0.104 0.000 0.745 1047 L CB -0.797 41.319 42.059 0.094 0.000 0.898 1047 L HN 0.700 nan 8.230 nan 0.000 0.433 1048 E N -0.154 120.126 120.200 0.133 0.000 2.265 1048 E HA -0.120 4.228 4.350 -0.003 0.000 0.196 1048 E C 1.887 178.578 176.600 0.152 0.000 0.996 1048 E CA 0.945 57.436 56.400 0.151 0.000 0.832 1048 E CB -0.420 29.376 29.700 0.160 0.000 0.756 1048 E HN 0.580 nan 8.360 nan 0.000 0.491 1049 G N 0.199 109.113 108.800 0.189 0.000 2.484 1049 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.215 1049 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.215 1049 G C 1.745 176.609 174.900 -0.061 0.000 1.219 1049 G CA 0.981 46.223 45.100 0.236 0.000 0.791 1049 G HN 0.377 nan 8.290 nan 0.000 0.550 1050 C N -0.086 119.187 119.300 -0.047 0.000 2.413 1050 C HA -0.022 4.437 4.460 -0.003 0.000 0.276 1050 C C 3.146 178.061 174.990 -0.125 0.000 1.236 1050 C CA 0.825 59.756 59.018 -0.144 0.000 1.735 1050 C CB -0.995 26.732 27.740 -0.023 0.000 2.031 1050 C HN 0.276 nan 8.230 nan 0.000 0.474 1051 V N 0.750 120.631 119.914 -0.055 0.000 2.332 1051 V HA -0.256 3.862 4.120 -0.003 0.000 0.248 1051 V C 2.435 178.456 176.094 -0.122 0.000 1.055 1051 V CA 2.364 64.593 62.300 -0.119 0.000 1.038 1051 V CB -0.790 31.045 31.823 0.019 0.000 0.651 1051 V HN 0.639 nan 8.190 nan 0.000 0.450 1052 E N -0.506 119.691 120.200 -0.005 0.000 2.047 1052 E HA -0.218 4.131 4.350 -0.003 0.000 0.191 1052 E C 2.360 179.026 176.600 0.110 0.000 0.987 1052 E CA 1.292 57.741 56.400 0.082 0.000 0.799 1052 E CB -0.069 29.718 29.700 0.146 0.000 0.752 1052 E HN 0.346 nan 8.360 nan 0.000 0.449 1053 M N 0.642 120.225 119.600 -0.028 0.000 2.080 1053 M HA -0.153 4.325 4.480 -0.003 0.000 0.260 1053 M C 2.494 178.788 176.300 -0.009 0.000 1.068 1053 M CA 1.669 56.935 55.300 -0.057 0.000 1.109 1053 M CB -1.322 31.081 32.600 -0.328 0.000 1.342 1053 M HN 0.248 nan 8.290 nan 0.000 0.405 1054 A N -1.177 121.588 122.820 -0.090 0.000 1.940 1054 A HA -0.238 4.080 4.320 -0.003 0.000 0.219 1054 A C 2.059 179.570 177.584 -0.122 0.000 1.176 1054 A CA 1.719 53.689 52.037 -0.112 0.000 0.631 1054 A CB -1.245 17.538 19.000 -0.363 0.000 0.814 1054 A HN 0.710 nan 8.150 nan 0.000 0.446 1055 W N 1.038 122.127 121.300 -0.352 0.000 2.408 1055 W HA -0.133 4.525 4.660 -0.003 0.000 0.311 1055 W C 1.871 178.227 176.519 -0.272 0.000 1.190 1055 W CA 1.899 59.022 57.345 -0.370 0.000 1.321 1055 W CB -0.322 28.905 29.460 -0.388 0.000 1.143 1055 W HN 0.432 nan 8.180 nan 0.000 0.501 1056 I N 0.193 120.711 120.570 -0.087 0.000 2.286 1056 I HA -0.214 3.954 4.170 -0.003 0.000 0.248 1056 I C 2.088 178.014 176.117 -0.318 0.000 1.115 1056 I CA 2.151 63.250 61.300 -0.334 0.000 1.392 1056 I CB -0.773 37.308 38.000 0.135 0.000 1.065 1056 I HN 0.045 nan 8.210 nan 0.000 0.418 1057 M N 0.537 120.048 119.600 -0.148 0.000 2.557 1057 M HA 0.175 4.654 4.480 -0.003 0.000 0.259 1057 M C 1.587 177.641 176.300 -0.409 0.000 1.086 1057 M CA 1.112 56.311 55.300 -0.168 0.000 1.096 1057 M CB -0.170 32.444 32.600 0.024 0.000 1.424 1057 M HN 0.687 nan 8.290 nan 0.000 0.488 1058 G N -0.696 107.847 108.800 -0.428 0.000 2.175 1058 G HA2 -0.268 3.691 3.960 -0.003 0.000 0.244 1058 G HA3 -0.268 3.691 3.960 -0.003 0.000 0.244 1058 G C 0.478 175.125 174.900 -0.422 0.000 0.982 1058 G CA -0.031 44.793 45.100 -0.460 0.000 0.641 1058 G HN 0.395 nan 8.290 nan 0.000 0.527 1059 F N 1.061 120.798 119.950 -0.356 0.000 2.102 1059 F HA 0.228 4.754 4.527 -0.003 0.000 0.298 1059 F C 2.008 177.530 175.800 -0.463 0.000 1.105 1059 F CA 1.770 59.500 58.000 -0.451 0.000 1.239 1059 F CB -0.057 38.472 39.000 -0.784 0.000 0.991 1059 F HN 0.480 nan 8.300 nan 0.000 0.474 1060 I N -2.995 117.400 120.570 -0.292 0.000 2.603 1060 I HA 0.619 4.788 4.170 -0.003 0.000 0.300 1060 I C -0.401 175.693 176.117 -0.038 0.000 1.017 1060 I CA -0.700 60.489 61.300 -0.184 0.000 1.098 1060 I CB 2.027 39.819 38.000 -0.346 0.000 1.279 1060 I HN -0.264 nan 8.210 nan 0.000 0.437 1061 S N 3.269 119.087 115.700 0.196 0.000 2.536 1061 S HA 0.449 4.917 4.470 -0.003 0.000 0.287 1061 S C -1.073 173.887 174.600 0.599 0.000 1.101 1061 S CA -0.437 57.960 58.200 0.328 0.000 0.950 1061 S CB 1.198 64.485 63.200 0.144 0.000 1.056 1061 S HN 0.570 nan 8.310 nan 0.000 0.481 1062 Y N 4.632 125.264 120.300 0.553 0.000 2.411 1062 Y HA 0.351 4.899 4.550 -0.003 0.000 0.333 1062 Y C 0.135 176.173 175.900 0.230 0.000 1.186 1062 Y CA 0.473 58.733 58.100 0.267 0.000 1.381 1062 Y CB 0.440 38.863 38.460 -0.062 0.000 1.273 1062 Y HN 0.731 nan 8.280 nan 0.000 0.546 1063 H N 6.501 125.083 119.070 -0.814 0.000 2.865 1063 H HA 0.293 4.847 4.556 -0.003 0.000 0.362 1063 H C -1.787 173.079 175.328 -0.770 0.000 1.114 1063 H CA -0.842 54.886 56.048 -0.534 0.000 1.208 1063 H CB 1.656 31.366 29.762 -0.087 0.000 1.727 1063 H HN 0.912 nan 8.280 nan 0.000 0.534 1064 N N 3.726 121.756 118.700 -1.117 0.000 2.571 1064 N HA 0.421 5.159 4.740 -0.003 0.000 0.286 1064 N C -1.071 174.065 175.510 -0.623 0.000 1.138 1064 N CA 0.068 52.673 53.050 -0.742 0.000 0.859 1064 N CB 1.623 39.931 38.487 -0.298 0.000 1.414 1064 N HN 0.940 nan 8.380 nan 0.000 0.529 1065 G N 2.203 110.685 108.800 -0.530 0.000 2.404 1065 G HA2 0.050 4.008 3.960 -0.003 0.000 0.253 1065 G HA3 0.050 4.008 3.960 -0.003 0.000 0.253 1065 G C -1.783 173.125 174.900 0.013 0.000 1.253 1065 G CA -0.926 44.051 45.100 -0.205 0.000 0.917 1065 G HN 0.533 nan 8.290 nan 0.000 0.480 1066 N N 0.368 119.139 118.700 0.119 0.000 2.426 1066 N HA 0.566 5.305 4.740 -0.003 0.000 0.275 1066 N C -0.515 175.113 175.510 0.197 0.000 1.019 1066 N CA -0.396 52.736 53.050 0.137 0.000 0.941 1066 N CB 1.775 40.306 38.487 0.073 0.000 1.123 1066 N HN 0.253 nan 8.380 nan 0.000 0.486 1067 L N 3.636 124.959 121.223 0.167 0.000 2.283 1067 L HA 0.293 4.632 4.340 -0.003 0.000 0.281 1067 L C -0.163 176.711 176.870 0.006 0.000 1.033 1067 L CA -0.591 54.284 54.840 0.057 0.000 0.848 1067 L CB 0.476 42.528 42.059 -0.012 0.000 1.226 1067 L HN 0.589 nan 8.230 nan 0.000 0.429 1068 K N 3.433 123.829 120.400 -0.005 0.000 4.007 1068 K HA -0.251 4.068 4.320 -0.003 0.000 0.279 1068 K C 0.826 177.428 176.600 0.003 0.000 0.919 1068 K CA 0.801 57.082 56.287 -0.010 0.000 0.800 1068 K CB -1.076 31.407 32.500 -0.029 0.000 1.572 1068 K HN 1.143 nan 8.250 nan 0.000 0.443 1069 G N 0.445 109.255 108.800 0.016 0.000 5.005 1069 G HA2 -0.342 3.616 3.960 -0.003 0.000 0.251 1069 G HA3 -0.342 3.616 3.960 -0.003 0.000 0.251 1069 G C -0.059 174.859 174.900 0.029 0.000 1.536 1069 G CA 0.127 45.237 45.100 0.018 0.000 1.060 1069 G HN 0.436 nan 8.290 nan 0.000 0.683 1070 R N 2.082 122.601 120.500 0.033 0.000 2.641 1070 R HA 0.453 4.792 4.340 -0.003 0.000 0.269 1070 R C -2.667 173.677 176.300 0.074 0.000 1.074 1070 R CA -1.056 55.071 56.100 0.046 0.000 1.133 1070 R CB 0.188 30.515 30.300 0.046 0.000 1.029 1070 R HN 0.297 nan 8.270 nan 0.000 0.488 1071 P HA 0.143 nan 4.420 nan 0.000 0.282 1071 P C -1.417 175.972 177.300 0.148 0.000 1.249 1071 P CA -0.232 62.917 63.100 0.081 0.000 0.806 1071 P CB 0.491 32.209 31.700 0.030 0.000 0.984 1072 Y N 0.740 121.029 120.300 -0.018 0.000 2.545 1072 Y HA 0.632 5.180 4.550 -0.003 0.000 0.348 1072 Y C -0.959 174.865 175.900 -0.128 0.000 1.002 1072 Y CA -0.470 57.615 58.100 -0.026 0.000 1.039 1072 Y CB 2.014 40.512 38.460 0.064 0.000 1.271 1072 Y HN 0.231 nan 8.280 nan 0.000 0.467 1073 T N 3.734 117.754 114.554 -0.889 0.000 3.187 1073 T HA 0.659 5.008 4.350 -0.003 0.000 0.328 1073 T C -0.594 173.529 174.700 -0.962 0.000 0.951 1073 T CA -0.074 61.581 62.100 -0.741 0.000 1.049 1073 T CB 0.568 69.219 68.868 -0.361 0.000 1.015 1073 T HN 1.184 nan 8.240 nan 0.000 0.461 1074 G N 2.151 110.384 108.800 -0.944 0.000 2.351 1074 G HA2 0.303 4.261 3.960 -0.003 0.000 0.279 1074 G HA3 0.303 4.261 3.960 -0.003 0.000 0.279 1074 G C -1.816 172.981 174.900 -0.171 0.000 1.297 1074 G CA -1.034 43.712 45.100 -0.590 0.000 0.886 1074 G HN 0.516 nan 8.290 nan 0.000 0.493 1075 W N -0.549 120.903 121.300 0.254 0.000 2.184 1075 W HA 0.563 5.221 4.660 -0.003 0.000 0.338 1075 W C 0.204 176.908 176.519 0.308 0.000 1.257 1075 W CA -0.508 57.001 57.345 0.273 0.000 1.243 1075 W CB 1.500 31.090 29.460 0.217 0.000 1.122 1075 W HN 0.263 nan 8.180 nan 0.000 0.585 1076 V N 2.367 122.584 119.914 0.504 0.000 2.808 1076 V HA 0.034 4.153 4.120 -0.003 0.000 0.308 1076 V C -0.530 175.680 176.094 0.193 0.000 1.099 1076 V CA -0.945 61.508 62.300 0.254 0.000 0.920 1076 V CB 1.851 33.764 31.823 0.151 0.000 1.014 1076 V HN 0.402 nan 8.190 nan 0.000 0.425 1077 D N 2.817 123.309 120.400 0.153 0.000 2.412 1077 D HA 0.027 4.665 4.640 -0.003 0.000 0.257 1077 D C 1.355 177.700 176.300 0.075 0.000 1.217 1077 D CA 0.692 54.784 54.000 0.153 0.000 0.897 1077 D CB 1.526 42.440 40.800 0.189 0.000 1.132 1077 D HN 0.645 nan 8.370 nan 0.000 0.493 1078 S N 3.672 119.396 115.700 0.041 0.000 2.423 1078 S HA -0.145 4.323 4.470 -0.003 0.000 0.231 1078 S C 1.691 176.283 174.600 -0.014 0.000 1.014 1078 S CA 0.603 58.802 58.200 -0.001 0.000 0.965 1078 S CB 0.149 63.322 63.200 -0.045 0.000 0.785 1078 S HN 0.413 nan 8.310 nan 0.000 0.495 1079 K N 1.229 121.633 120.400 0.005 0.000 2.007 1079 K HA -0.031 4.287 4.320 -0.003 0.000 0.206 1079 K C 2.642 179.241 176.600 -0.001 0.000 1.047 1079 K CA 1.744 58.031 56.287 -0.001 0.000 0.937 1079 K CB -0.420 32.090 32.500 0.017 0.000 0.718 1079 K HN 0.607 nan 8.250 nan 0.000 0.438 1080 T N -2.338 112.224 114.554 0.013 0.000 3.051 1080 T HA 0.090 4.439 4.350 -0.003 0.000 0.255 1080 T C 0.606 175.289 174.700 -0.029 0.000 1.085 1080 T CA 0.347 62.445 62.100 -0.004 0.000 1.109 1080 T CB 0.123 68.996 68.868 0.007 0.000 0.921 1080 T HN 0.034 nan 8.240 nan 0.000 0.488 1081 K N 0.934 121.315 120.400 -0.032 0.000 3.341 1081 K HA -0.126 4.193 4.320 -0.003 0.000 0.305 1081 K C -0.288 176.247 176.600 -0.108 0.000 1.270 1081 K CA 0.835 57.075 56.287 -0.078 0.000 0.897 1081 K CB -1.852 30.585 32.500 -0.106 0.000 1.264 1081 K HN 0.741 nan 8.250 nan 0.000 0.468 1082 E N 0.348 120.508 120.200 -0.068 0.000 2.319 1082 E HA 0.259 4.608 4.350 -0.003 0.000 0.268 1082 E C -2.320 174.217 176.600 -0.105 0.000 1.050 1082 E CA -2.127 54.215 56.400 -0.096 0.000 0.878 1082 E CB 0.819 30.485 29.700 -0.056 0.000 1.066 1082 E HN -0.046 nan 8.360 nan 0.000 0.406 1083 P HA 0.101 nan 4.420 nan 0.000 0.274 1083 P C -0.982 176.320 177.300 0.003 0.000 1.231 1083 P CA -0.211 62.719 63.100 -0.283 0.000 0.790 1083 P CB 0.690 31.982 31.700 -0.680 0.000 0.951 1084 V N 2.440 122.470 119.914 0.193 0.000 2.623 1084 V HA 0.260 4.378 4.120 -0.003 0.000 0.304 1084 V C -0.433 175.864 176.094 0.339 0.000 1.054 1084 V CA -0.613 61.840 62.300 0.255 0.000 0.882 1084 V CB 2.060 34.073 31.823 0.317 0.000 1.002 1084 V HN 0.435 nan 8.190 nan 0.000 0.424 1085 D N 2.665 123.216 120.400 0.251 0.000 2.255 1085 D HA 0.231 4.869 4.640 -0.003 0.000 0.249 1085 D C 0.600 177.051 176.300 0.252 0.000 1.078 1085 D CA -0.240 53.908 54.000 0.247 0.000 0.896 1085 D CB 1.841 42.740 40.800 0.166 0.000 1.194 1085 D HN 0.545 nan 8.370 nan 0.000 0.429 1086 D N 1.135 121.706 120.400 0.284 0.000 2.133 1086 D HA -0.230 4.409 4.640 -0.003 0.000 0.192 1086 D C 1.655 178.055 176.300 0.166 0.000 1.001 1086 D CA 1.637 55.794 54.000 0.262 0.000 0.844 1086 D CB -0.021 40.929 40.800 0.250 0.000 0.944 1086 D HN 0.451 nan 8.370 nan 0.000 0.447 1087 K N 0.111 120.591 120.400 0.133 0.000 2.585 1087 K HA -0.056 4.262 4.320 -0.003 0.000 0.194 1087 K C 0.655 177.303 176.600 0.080 0.000 1.037 1087 K CA 1.175 57.518 56.287 0.093 0.000 0.964 1087 K CB 0.175 32.720 32.500 0.075 0.000 0.787 1087 K HN 0.054 nan 8.250 nan 0.000 0.488 1088 D N -0.318 120.139 120.400 0.095 0.000 2.454 1088 D HA 0.059 4.697 4.640 -0.003 0.000 0.219 1088 D C 1.603 177.942 176.300 0.065 0.000 1.081 1088 D CA 0.118 54.156 54.000 0.064 0.000 0.867 1088 D CB 0.281 41.119 40.800 0.063 0.000 1.054 1088 D HN 0.017 nan 8.370 nan 0.000 0.500 1089 V N 1.735 121.724 119.914 0.126 0.000 2.317 1089 V HA -0.328 3.791 4.120 -0.003 0.000 0.251 1089 V C 2.518 178.687 176.094 0.124 0.000 1.065 1089 V CA 2.044 64.460 62.300 0.193 0.000 1.049 1089 V CB -0.313 31.579 31.823 0.114 0.000 0.651 1089 V HN 0.158 nan 8.190 nan 0.000 0.450 1090 K N 0.154 120.593 120.400 0.065 0.000 1.985 1090 K HA -0.169 4.149 4.320 -0.003 0.000 0.210 1090 K C 2.211 178.807 176.600 -0.007 0.000 1.047 1090 K CA 1.753 58.064 56.287 0.040 0.000 0.932 1090 K CB -0.560 31.971 32.500 0.053 0.000 0.716 1090 K HN 0.376 nan 8.250 nan 0.000 0.439 1091 A N 1.222 124.029 122.820 -0.022 0.000 1.948 1091 A HA -0.226 4.092 4.320 -0.003 0.000 0.220 1091 A C 1.971 179.472 177.584 -0.138 0.000 1.177 1091 A CA 2.006 54.009 52.037 -0.057 0.000 0.636 1091 A CB -0.471 18.503 19.000 -0.045 0.000 0.815 1091 A HN 0.378 nan 8.150 nan 0.000 0.449 1092 K N -2.585 117.675 120.400 -0.234 0.000 2.186 1092 K HA -0.008 4.311 4.320 -0.003 0.000 0.202 1092 K C 1.286 177.454 176.600 -0.721 0.000 1.052 1092 K CA 1.421 57.386 56.287 -0.537 0.000 0.965 1092 K CB -0.056 31.965 32.500 -0.799 0.000 0.746 1092 K HN 0.691 nan 8.250 nan 0.000 0.457 1093 Y N -0.284 119.884 120.300 -0.220 0.000 2.585 1093 Y HA 0.107 4.655 4.550 -0.003 0.000 0.272 1093 Y C 2.062 177.742 175.900 -0.367 0.000 1.119 1093 Y CA -0.306 57.528 58.100 -0.444 0.000 1.255 1093 Y CB 0.066 38.139 38.460 -0.645 0.000 1.284 1093 Y HN 0.006 nan 8.280 nan 0.000 0.499 1094 E N 0.728 120.895 120.200 -0.054 0.000 2.085 1094 E HA -0.195 4.153 4.350 -0.003 0.000 0.194 1094 E C 1.404 178.027 176.600 0.038 0.000 0.994 1094 E CA 2.183 58.587 56.400 0.007 0.000 0.801 1094 E CB 0.041 29.786 29.700 0.076 0.000 0.743 1094 E HN 0.433 nan 8.360 nan 0.000 0.453 1095 T N -0.325 114.236 114.554 0.012 0.000 2.737 1095 T HA -0.192 4.156 4.350 -0.003 0.000 0.269 1095 T C 2.004 176.746 174.700 0.070 0.000 1.040 1095 T CA 1.505 63.629 62.100 0.040 0.000 1.142 1095 T CB -0.305 68.568 68.868 0.009 0.000 0.861 1095 T HN 0.086 nan 8.240 nan 0.000 0.456 1096 S N 0.006 115.726 115.700 0.034 0.000 2.421 1096 S HA 0.146 4.615 4.470 -0.003 0.000 0.224 1096 S C 2.030 176.749 174.600 0.198 0.000 1.035 1096 S CA -0.088 58.190 58.200 0.129 0.000 0.953 1096 S CB -0.368 62.883 63.200 0.084 0.000 0.810 1096 S HN 0.438 nan 8.310 nan 0.000 0.497 1097 I N 1.694 122.283 120.570 0.032 0.000 2.151 1097 I HA -0.233 3.936 4.170 -0.003 0.000 0.243 1097 I C 2.185 178.427 176.117 0.207 0.000 1.080 1097 I CA 1.357 62.733 61.300 0.126 0.000 1.339 1097 I CB -0.446 37.549 38.000 -0.007 0.000 1.039 1097 I HN 0.330 nan 8.210 nan 0.000 0.409 1098 L N 0.230 121.587 121.223 0.223 0.000 2.083 1098 L HA -0.209 4.129 4.340 -0.003 0.000 0.209 1098 L C 2.398 179.372 176.870 0.174 0.000 1.083 1098 L CA 1.392 56.401 54.840 0.281 0.000 0.752 1098 L CB -0.504 41.727 42.059 0.287 0.000 0.899 1098 L HN 0.268 nan 8.230 nan 0.000 0.433 1099 E N -1.111 119.184 120.200 0.159 0.000 2.338 1099 E HA -0.144 4.204 4.350 -0.003 0.000 0.197 1099 E C 0.718 177.239 176.600 -0.132 0.000 1.007 1099 E CA 0.606 57.036 56.400 0.050 0.000 0.849 1099 E CB 0.144 29.912 29.700 0.113 0.000 0.774 1099 E HN 0.558 nan 8.360 nan 0.000 0.506 1100 H N -0.803 118.289 119.070 0.037 0.000 2.549 1100 H HA 0.237 4.791 4.556 -0.003 0.000 0.253 1100 H C -0.353 174.924 175.328 -0.084 0.000 1.170 1100 H CA -0.072 55.979 56.048 0.006 0.000 0.943 1100 H CB 0.615 30.420 29.762 0.071 0.000 1.849 1100 H HN 0.004 nan 8.280 nan 0.000 0.603 1101 S N -1.332 114.267 115.700 -0.168 0.000 2.671 1101 S HA 0.712 5.181 4.470 -0.003 0.000 0.277 1101 S C 0.534 174.627 174.600 -0.845 0.000 1.165 1101 S CA -0.412 57.501 58.200 -0.477 0.000 0.822 1101 S CB 2.862 65.747 63.200 -0.524 0.000 1.150 1101 S HN 0.497 nan 8.310 nan 0.000 0.479 1102 G N 0.378 108.424 108.800 -1.256 0.000 2.593 1102 G HA2 -0.164 3.795 3.960 -0.003 0.000 0.237 1102 G HA3 -0.164 3.795 3.960 -0.003 0.000 0.237 1102 G C -0.700 174.015 174.900 -0.310 0.000 1.312 1102 G CA -0.281 44.204 45.100 -1.024 0.000 0.896 1102 G HN 1.048 nan 8.290 nan 0.000 0.574 1103 I N 2.660 123.200 120.570 -0.050 0.000 2.329 1103 I HA 0.418 4.586 4.170 -0.003 0.000 0.295 1103 I C 1.136 177.248 176.117 -0.008 0.000 1.109 1103 I CA -0.013 61.284 61.300 -0.004 0.000 1.297 1103 I CB 0.067 38.111 38.000 0.072 0.000 1.433 1103 I HN 0.700 nan 8.210 nan 0.000 0.509 1104 R N 5.450 125.923 120.500 -0.045 0.000 2.885 1104 R HA 0.658 4.996 4.340 -0.003 0.000 0.260 1104 R C -1.017 175.274 176.300 -0.015 0.000 1.107 1104 R CA -1.117 54.965 56.100 -0.031 0.000 0.978 1104 R CB 0.992 31.241 30.300 -0.085 0.000 1.227 1104 R HN 0.230 nan 8.270 nan 0.000 0.473 1105 L N 1.477 122.704 121.223 0.007 0.000 2.485 1105 L HA 0.146 4.484 4.340 -0.003 0.000 0.275 1105 L C 0.436 177.324 176.870 0.029 0.000 1.207 1105 L CA -0.108 54.751 54.840 0.031 0.000 0.855 1105 L CB 0.315 42.404 42.059 0.049 0.000 1.114 1105 L HN 0.449 nan 8.230 nan 0.000 0.485 1106 I N 3.359 123.955 120.570 0.044 0.000 2.578 1106 I HA -0.036 4.132 4.170 -0.003 0.000 0.286 1106 I C 0.395 176.604 176.117 0.154 0.000 1.126 1106 I CA 0.270 61.636 61.300 0.111 0.000 1.380 1106 I CB -0.008 38.053 38.000 0.101 0.000 1.408 1106 I HN 0.584 nan 8.210 nan 0.000 0.532 1107 E N 9.008 129.338 120.200 0.217 0.000 2.105 1107 E HA 0.147 4.496 4.350 -0.003 0.000 0.285 1107 E C -1.736 174.999 176.600 0.225 0.000 1.055 1107 E CA -1.633 54.867 56.400 0.166 0.000 0.843 1107 E CB 0.842 30.614 29.700 0.119 0.000 1.067 1107 E HN 0.416 nan 8.360 nan 0.000 0.398 1108 P HA -0.161 nan 4.420 nan 0.000 0.223 1108 P C 1.112 178.512 177.300 0.166 0.000 1.151 1108 P CA 0.768 63.995 63.100 0.212 0.000 0.787 1108 P CB 0.308 32.072 31.700 0.107 0.000 0.788 1109 E N 0.217 120.470 120.200 0.088 0.000 2.209 1109 E HA -0.136 4.213 4.350 -0.003 0.000 0.196 1109 E C 1.395 177.977 176.600 -0.031 0.000 0.993 1109 E CA 0.780 57.199 56.400 0.032 0.000 0.819 1109 E CB -0.446 29.262 29.700 0.013 0.000 0.745 1109 E HN 0.221 nan 8.360 nan 0.000 0.477 1110 L N -0.210 120.935 121.223 -0.130 0.000 2.599 1110 L HA 0.059 4.397 4.340 -0.003 0.000 0.230 1110 L C 0.182 176.603 176.870 -0.748 0.000 1.141 1110 L CA 0.053 54.609 54.840 -0.473 0.000 0.877 1110 L CB 0.231 41.871 42.059 -0.699 0.000 1.009 1110 L HN 0.101 nan 8.230 nan 0.000 0.447 1111 F N -0.542 119.514 119.950 0.177 0.000 2.605 1111 F HA 0.296 4.821 4.527 -0.003 0.000 0.391 1111 F C 0.558 176.456 175.800 0.164 0.000 1.429 1111 F CA -0.889 57.236 58.000 0.209 0.000 1.138 1111 F CB -0.269 38.939 39.000 0.347 0.000 1.198 1111 F HN -0.018 nan 8.300 nan 0.000 0.516 1112 N N 0.617 119.437 118.700 0.200 0.000 2.713 1112 N HA -0.229 4.510 4.740 -0.003 0.000 0.251 1112 N C 1.360 176.963 175.510 0.155 0.000 1.117 1112 N CA 1.420 54.556 53.050 0.143 0.000 0.770 1112 N CB -1.187 37.375 38.487 0.126 0.000 1.137 1112 N HN 0.804 nan 8.380 nan 0.000 0.566 1113 G N -0.876 108.041 108.800 0.195 0.000 2.163 1113 G HA2 -0.345 3.613 3.960 -0.003 0.000 0.213 1113 G HA3 -0.345 3.613 3.960 -0.003 0.000 0.213 1113 G C -0.150 174.874 174.900 0.207 0.000 0.991 1113 G CA 0.121 45.319 45.100 0.163 0.000 0.653 1113 G HN 0.555 nan 8.290 nan 0.000 0.518 1114 Y N 2.200 122.607 120.300 0.179 0.000 2.802 1114 Y HA 0.429 4.977 4.550 -0.003 0.000 0.333 1114 Y C 0.022 176.017 175.900 0.158 0.000 1.244 1114 Y CA -0.247 57.940 58.100 0.145 0.000 1.558 1114 Y CB 0.383 38.927 38.460 0.140 0.000 1.233 1114 Y HN 0.161 nan 8.280 nan 0.000 0.547 1115 N N 8.760 127.301 118.700 -0.264 0.000 2.524 1115 N HA 0.302 5.040 4.740 -0.003 0.000 0.261 1115 N C -2.355 172.913 175.510 -0.403 0.000 0.998 1115 N CA -2.232 50.620 53.050 -0.329 0.000 0.915 1115 N CB 1.916 40.352 38.487 -0.087 0.000 1.187 1115 N HN 0.322 nan 8.380 nan 0.000 0.507 1116 P HA -0.089 nan 4.420 nan 0.000 0.220 1116 P C 0.580 177.917 177.300 0.061 0.000 1.144 1116 P CA 1.233 64.259 63.100 -0.124 0.000 0.800 1116 P CB 0.556 32.213 31.700 -0.073 0.000 0.772 1117 E N -0.868 119.324 120.200 -0.012 0.000 2.230 1117 E HA -0.034 4.315 4.350 -0.003 0.000 0.192 1117 E C 1.005 177.629 176.600 0.039 0.000 0.987 1117 E CA 0.602 57.022 56.400 0.033 0.000 0.841 1117 E CB 0.090 29.801 29.700 0.017 0.000 0.783 1117 E HN 0.176 nan 8.360 nan 0.000 0.481 1118 K N 1.642 122.053 120.400 0.017 0.000 2.753 1118 K HA 0.131 4.449 4.320 -0.003 0.000 0.185 1118 K C -1.045 175.566 176.600 0.020 0.000 1.071 1118 K CA -0.238 56.061 56.287 0.021 0.000 0.999 1118 K CB 0.635 33.144 32.500 0.014 0.000 1.244 1118 K HN -0.218 nan 8.250 nan 0.000 0.594 1119 K N 2.732 123.144 120.400 0.021 0.000 2.276 1119 K HA 0.124 4.443 4.320 -0.003 0.000 0.285 1119 K C -0.716 175.856 176.600 -0.046 0.000 1.062 1119 K CA -0.246 56.038 56.287 -0.005 0.000 0.918 1119 K CB 0.787 33.245 32.500 -0.070 0.000 1.055 1119 K HN 0.471 nan 8.250 nan 0.000 0.477 1120 E N 4.518 124.698 120.200 -0.033 0.000 2.316 1120 E HA 0.152 4.500 4.350 -0.003 0.000 0.275 1120 E C -0.387 176.172 176.600 -0.069 0.000 1.029 1120 E CA 0.284 56.663 56.400 -0.035 0.000 0.871 1120 E CB 1.018 30.711 29.700 -0.011 0.000 1.022 1120 E HN 0.442 nan 8.360 nan 0.000 0.418 1121 M N 2.734 122.304 119.600 -0.050 0.000 2.578 1121 M HA 0.428 4.907 4.480 -0.003 0.000 0.276 1121 M C -0.753 175.544 176.300 -0.006 0.000 1.245 1121 M CA -0.783 54.488 55.300 -0.048 0.000 0.871 1121 M CB 2.143 34.701 32.600 -0.069 0.000 1.722 1121 M HN 0.434 nan 8.290 nan 0.000 0.473 1122 I N -0.478 120.096 120.570 0.007 0.000 2.525 1122 I HA 0.712 4.880 4.170 -0.003 0.000 0.301 1122 I C -1.077 175.122 176.117 0.136 0.000 0.992 1122 I CA -0.638 60.701 61.300 0.066 0.000 1.162 1122 I CB 1.827 39.850 38.000 0.038 0.000 1.332 1122 I HN 0.791 nan 8.210 nan 0.000 0.458 1123 Q N 3.727 123.648 119.800 0.200 0.000 2.345 1123 Q HA 0.350 4.688 4.340 -0.003 0.000 0.268 1123 Q C -1.003 175.176 176.000 0.298 0.000 1.054 1123 Q CA -0.665 55.270 55.803 0.221 0.000 0.835 1123 Q CB 2.202 31.009 28.738 0.115 0.000 1.339 1123 Q HN 0.765 nan 8.270 nan 0.000 0.447 1124 E N 2.121 122.461 120.200 0.234 0.000 2.313 1124 E HA 0.405 4.754 4.350 -0.003 0.000 0.276 1124 E C -1.182 175.377 176.600 -0.070 0.000 1.031 1124 E CA -0.522 55.832 56.400 -0.077 0.000 0.857 1124 E CB 1.022 30.694 29.700 -0.046 0.000 1.040 1124 E HN 0.464 nan 8.360 nan 0.000 0.408 1125 V N 1.762 121.594 119.914 -0.138 0.000 3.049 1125 V HA 0.488 4.606 4.120 -0.003 0.000 0.309 1125 V C -0.593 175.449 176.094 -0.086 0.000 1.148 1125 V CA -1.159 61.098 62.300 -0.073 0.000 0.990 1125 V CB 1.696 33.495 31.823 -0.039 0.000 1.039 1125 V HN 0.457 nan 8.190 nan 0.000 0.430 1126 I N 3.176 123.717 120.570 -0.048 0.000 2.331 1126 I HA 0.358 4.527 4.170 -0.003 0.000 0.292 1126 I C 0.470 176.569 176.117 -0.030 0.000 0.998 1126 I CA -0.542 60.736 61.300 -0.037 0.000 1.267 1126 I CB 1.519 39.507 38.000 -0.019 0.000 1.386 1126 I HN 0.743 nan 8.210 nan 0.000 0.476 1127 V N 6.806 126.700 119.914 -0.033 0.000 2.485 1127 V HA 0.104 4.222 4.120 -0.003 0.000 0.287 1127 V C 1.118 177.200 176.094 -0.020 0.000 1.022 1127 V CA 0.340 62.622 62.300 -0.030 0.000 1.067 1127 V CB 0.380 32.178 31.823 -0.041 0.000 0.967 1127 V HN 0.869 nan 8.190 nan 0.000 0.479 1128 E N 3.863 124.055 120.200 -0.014 0.000 2.230 1128 E HA 0.137 4.486 4.350 -0.003 0.000 0.192 1128 E C 0.169 176.765 176.600 -0.007 0.000 0.987 1128 E CA 0.670 57.065 56.400 -0.008 0.000 0.841 1128 E CB 0.349 30.046 29.700 -0.006 0.000 0.783 1128 E HN 0.880 nan 8.360 nan 0.000 0.481 1129 E N 0.727 120.922 120.200 -0.009 0.000 2.321 1129 E HA 0.114 4.462 4.350 -0.003 0.000 0.278 1129 E C -1.652 174.942 176.600 -0.010 0.000 0.902 1129 E CA -0.785 55.611 56.400 -0.007 0.000 0.758 1129 E CB 1.640 31.339 29.700 -0.003 0.000 1.213 1129 E HN -0.061 nan 8.360 nan 0.000 0.426 1130 D N 2.247 122.641 120.400 -0.009 0.000 3.683 1130 D HA -0.140 4.498 4.640 -0.003 0.000 0.201 1130 D C -0.235 176.060 176.300 -0.008 0.000 1.100 1130 D CA 0.627 54.621 54.000 -0.011 0.000 0.742 1130 D CB 0.146 40.944 40.800 -0.003 0.000 1.168 1130 D HN 0.102 nan 8.370 nan 0.000 0.585 1131 L N 2.034 123.249 121.223 -0.013 0.000 2.479 1131 L HA 0.066 4.405 4.340 -0.003 0.000 0.270 1131 L C 0.949 177.830 176.870 0.019 0.000 1.236 1131 L CA 0.318 55.159 54.840 0.001 0.000 0.823 1131 L CB 0.066 42.127 42.059 0.003 0.000 1.098 1131 L HN 0.402 nan 8.230 nan 0.000 0.500 1132 E N 2.518 122.738 120.200 0.033 0.000 2.289 1132 E HA 0.259 4.607 4.350 -0.003 0.000 0.278 1132 E C -2.252 174.403 176.600 0.092 0.000 1.032 1132 E CA -1.398 55.030 56.400 0.045 0.000 0.854 1132 E CB 0.660 30.384 29.700 0.038 0.000 1.046 1132 E HN 0.314 nan 8.360 nan 0.000 0.409 1133 P HA 0.053 nan 4.420 nan 0.000 0.266 1133 P C -1.163 176.209 177.300 0.120 0.000 1.193 1133 P CA 0.379 63.497 63.100 0.030 0.000 0.770 1133 P CB 0.163 31.858 31.700 -0.007 0.000 0.836 1134 F N -1.380 118.557 119.950 -0.021 0.000 2.588 1134 F HA 0.614 5.139 4.527 -0.003 0.000 0.314 1134 F C -0.015 175.801 175.800 0.027 0.000 1.069 1134 F CA -1.629 56.369 58.000 -0.004 0.000 0.931 1134 F CB 1.304 40.293 39.000 -0.018 0.000 1.260 1134 F HN 0.177 nan 8.300 nan 0.000 0.465 1135 E N 1.331 121.621 120.200 0.151 0.000 2.373 1135 E HA 0.636 4.985 4.350 -0.003 0.000 0.263 1135 E C -0.929 175.764 176.600 0.156 0.000 1.073 1135 E CA -0.404 56.048 56.400 0.087 0.000 0.894 1135 E CB 1.150 30.912 29.700 0.103 0.000 1.008 1135 E HN 1.005 nan 8.360 nan 0.000 0.420 1136 A N 2.052 124.941 122.820 0.116 0.000 2.601 1136 A HA 0.449 4.768 4.320 -0.003 0.000 0.291 1136 A C -0.705 176.969 177.584 0.149 0.000 1.075 1136 A CA -0.485 51.657 52.037 0.174 0.000 0.671 1136 A CB 1.055 20.174 19.000 0.199 0.000 1.277 1136 A HN 0.675 nan 8.150 nan 0.000 0.417 1137 S N 0.403 116.177 115.700 0.123 0.000 2.608 1137 S HA 0.280 4.749 4.470 -0.003 0.000 0.261 1137 S C 1.066 175.681 174.600 0.026 0.000 1.314 1137 S CA 0.347 58.598 58.200 0.085 0.000 0.992 1137 S CB 0.965 64.195 63.200 0.049 0.000 0.935 1137 S HN 0.926 nan 8.310 nan 0.000 0.564 1138 K N 0.594 120.988 120.400 -0.010 0.000 2.025 1138 K HA -0.168 4.150 4.320 -0.003 0.000 0.207 1138 K C 2.155 178.593 176.600 -0.270 0.000 1.049 1138 K CA 1.541 57.655 56.287 -0.288 0.000 0.933 1138 K CB -0.388 32.016 32.500 -0.159 0.000 0.714 1138 K HN 0.851 nan 8.250 nan 0.000 0.438 1139 E N -0.239 119.884 120.200 -0.129 0.000 2.070 1139 E HA -0.190 4.158 4.350 -0.003 0.000 0.197 1139 E C 1.533 178.061 176.600 -0.121 0.000 1.004 1139 E CA 1.869 58.204 56.400 -0.108 0.000 0.805 1139 E CB 0.009 29.669 29.700 -0.067 0.000 0.744 1139 E HN 0.293 nan 8.360 nan 0.000 0.451 1140 T N 0.296 114.793 114.554 -0.096 0.000 2.812 1140 T HA -0.016 4.332 4.350 -0.003 0.000 0.264 1140 T C 1.801 176.452 174.700 -0.081 0.000 1.042 1140 T CA 1.088 63.117 62.100 -0.118 0.000 1.140 1140 T CB -0.207 68.645 68.868 -0.028 0.000 0.870 1140 T HN 0.343 nan 8.240 nan 0.000 0.445 1141 A N 1.615 124.439 122.820 0.007 0.000 1.933 1141 A HA -0.135 4.183 4.320 -0.003 0.000 0.218 1141 A C 2.162 179.766 177.584 0.034 0.000 1.175 1141 A CA 1.551 53.654 52.037 0.109 0.000 0.628 1141 A CB -0.489 18.478 19.000 -0.056 0.000 0.814 1141 A HN 0.553 nan 8.150 nan 0.000 0.444 1142 E N -0.479 119.651 120.200 -0.116 0.000 2.106 1142 E HA -0.217 4.132 4.350 -0.003 0.000 0.192 1142 E C 2.208 178.809 176.600 0.001 0.000 0.984 1142 E CA 1.227 57.581 56.400 -0.077 0.000 0.806 1142 E CB -0.186 29.441 29.700 -0.121 0.000 0.750 1142 E HN 0.733 nan 8.360 nan 0.000 0.458 1143 Q N -0.424 119.330 119.800 -0.076 0.000 2.226 1143 Q HA -0.154 4.184 4.340 -0.003 0.000 0.204 1143 Q C 1.689 177.646 176.000 -0.072 0.000 0.975 1143 Q CA 1.025 56.752 55.803 -0.127 0.000 0.866 1143 Q CB -0.026 28.549 28.738 -0.271 0.000 0.915 1143 Q HN 0.232 nan 8.270 nan 0.000 0.440 1144 F N 0.584 120.574 119.950 0.065 0.000 2.149 1144 F HA -0.080 4.446 4.527 -0.002 0.000 0.294 1144 F C 2.300 178.202 175.800 0.170 0.000 1.095 1144 F CA 1.079 59.169 58.000 0.150 0.000 1.276 1144 F CB -0.225 38.859 39.000 0.139 0.000 1.023 1144 F HN -0.119 nan 8.300 nan 0.000 0.480 1145 K N -0.560 120.018 120.400 0.297 0.000 2.147 1145 K HA -0.211 4.107 4.320 -0.003 0.000 0.205 1145 K C 2.023 178.717 176.600 0.156 0.000 1.049 1145 K CA 1.422 57.812 56.287 0.172 0.000 0.936 1145 K CB -0.470 32.064 32.500 0.057 0.000 0.722 1145 K HN 0.392 nan 8.250 nan 0.000 0.446 1146 H N -0.979 118.117 119.070 0.043 0.000 2.387 1146 H HA -0.136 4.419 4.556 -0.003 0.000 0.299 1146 H C 2.003 177.332 175.328 0.001 0.000 1.090 1146 H CA 1.697 57.749 56.048 0.007 0.000 1.332 1146 H CB 0.264 30.014 29.762 -0.020 0.000 1.386 1146 H HN 0.257 nan 8.280 nan 0.000 0.516 1147 Q N -0.524 119.396 119.800 0.201 0.000 2.033 1147 Q HA -0.112 4.226 4.340 -0.003 0.000 0.196 1147 Q C 1.693 177.653 176.000 -0.068 0.000 0.970 1147 Q CA 1.694 57.506 55.803 0.015 0.000 0.828 1147 Q CB -0.007 28.661 28.738 -0.118 0.000 0.895 1147 Q HN 0.617 nan 8.270 nan 0.000 0.440 1148 H N -1.039 118.111 119.070 0.133 0.000 2.486 1148 H HA 0.248 4.802 4.556 -0.002 0.000 0.287 1148 H C 1.324 176.682 175.328 0.051 0.000 1.010 1148 H CA 0.820 56.920 56.048 0.087 0.000 1.324 1148 H CB 0.312 30.122 29.762 0.081 0.000 1.446 1148 H HN 0.422 nan 8.280 nan 0.000 0.537 1149 G N 2.130 111.020 108.800 0.150 0.000 2.602 1149 G HA2 -0.422 3.536 3.960 -0.003 0.000 0.310 1149 G HA3 -0.422 3.536 3.960 -0.003 0.000 0.310 1149 G C 0.873 175.807 174.900 0.056 0.000 1.183 1149 G CA 0.846 45.988 45.100 0.069 0.000 0.979 1149 G HN 0.377 nan 8.290 nan 0.000 0.545 1150 D N 0.848 121.274 120.400 0.044 0.000 2.311 1150 D HA 0.022 4.660 4.640 -0.003 0.000 0.212 1150 D C 2.157 178.478 176.300 0.035 0.000 0.972 1150 D CA 1.333 55.352 54.000 0.032 0.000 0.887 1150 D CB -0.046 40.771 40.800 0.029 0.000 0.915 1150 D HN 0.378 nan 8.370 nan 0.000 0.497 1151 K N -0.587 119.850 120.400 0.061 0.000 2.397 1151 K HA 0.260 4.579 4.320 -0.003 0.000 0.202 1151 K C -0.655 175.933 176.600 -0.020 0.000 1.022 1151 K CA -0.142 56.168 56.287 0.039 0.000 1.141 1151 K CB 1.438 33.985 32.500 0.078 0.000 0.857 1151 K HN -0.134 nan 8.250 nan 0.000 0.514 1152 V N -0.084 119.826 119.914 -0.006 0.000 2.932 1152 V HA 0.325 4.444 4.120 -0.003 0.000 0.307 1152 V C -1.865 174.187 176.094 -0.070 0.000 1.147 1152 V CA -0.926 61.332 62.300 -0.069 0.000 0.951 1152 V CB 2.303 34.076 31.823 -0.084 0.000 1.031 1152 V HN -0.013 nan 8.190 nan 0.000 0.426 1153 D N 4.715 125.056 120.400 -0.100 0.000 2.278 1153 D HA 0.613 5.251 4.640 -0.003 0.000 0.245 1153 D C -0.544 175.609 176.300 -0.245 0.000 1.052 1153 D CA 0.133 54.026 54.000 -0.179 0.000 0.834 1153 D CB 1.987 42.789 40.800 0.004 0.000 1.194 1153 D HN 0.701 nan 8.370 nan 0.000 0.481 1154 I N -0.996 119.319 120.570 -0.425 0.000 2.545 1154 I HA 0.693 4.861 4.170 -0.003 0.000 0.292 1154 I C -1.459 174.402 176.117 -0.426 0.000 1.040 1154 I CA -0.767 60.388 61.300 -0.242 0.000 1.068 1154 I CB 1.641 39.612 38.000 -0.048 0.000 1.251 1154 I HN -0.012 nan 8.210 nan 0.000 0.424 1155 F N 2.841 122.860 119.950 0.115 0.000 2.578 1155 F HA 0.431 4.956 4.527 -0.003 0.000 0.311 1155 F C 0.079 175.681 175.800 -0.329 0.000 1.094 1155 F CA -0.627 57.354 58.000 -0.031 0.000 0.923 1155 F CB 2.101 41.064 39.000 -0.063 0.000 1.230 1155 F HN 0.618 nan 8.300 nan 0.000 0.450 1156 E N 3.187 123.094 120.200 -0.487 0.000 2.344 1156 E HA 0.292 4.640 4.350 -0.003 0.000 0.270 1156 E C -0.770 175.623 176.600 -0.346 0.000 1.021 1156 E CA -0.177 55.670 56.400 -0.922 0.000 0.887 1156 E CB 0.636 29.838 29.700 -0.830 0.000 0.997 1156 E HN 0.525 nan 8.360 nan 0.000 0.429 1157 I N 7.817 128.222 120.570 -0.276 0.000 2.281 1157 I HA 0.109 4.277 4.170 -0.003 0.000 0.293 1157 I C -1.727 174.325 176.117 -0.109 0.000 1.085 1157 I CA -1.993 59.230 61.300 -0.128 0.000 1.257 1157 I CB 0.973 38.933 38.000 -0.067 0.000 1.430 1157 I HN 0.493 nan 8.210 nan 0.000 0.489 1158 P HA -0.162 nan 4.420 nan 0.000 0.219 1158 P C 0.870 178.145 177.300 -0.041 0.000 1.146 1158 P CA 1.280 64.339 63.100 -0.068 0.000 0.808 1158 P CB 0.298 31.965 31.700 -0.055 0.000 0.779 1159 E N -1.094 119.086 120.200 -0.033 0.000 2.076 1159 E HA -0.090 4.258 4.350 -0.003 0.000 0.190 1159 E C 1.943 178.539 176.600 -0.008 0.000 0.979 1159 E CA 1.789 58.179 56.400 -0.018 0.000 0.807 1159 E CB -1.208 28.483 29.700 -0.015 0.000 0.761 1159 E HN 0.361 nan 8.360 nan 0.000 0.454 1160 T N -3.894 110.656 114.554 -0.007 0.000 3.040 1160 T HA 0.322 4.670 4.350 -0.003 0.000 0.252 1160 T C 1.767 176.480 174.700 0.021 0.000 1.064 1160 T CA 0.437 62.543 62.100 0.010 0.000 1.110 1160 T CB 0.447 69.326 68.868 0.017 0.000 0.921 1160 T HN 0.300 nan 8.240 nan 0.000 0.480 1161 G N 1.110 109.914 108.800 0.007 0.000 2.217 1161 G HA2 -0.202 3.757 3.960 -0.003 0.000 0.246 1161 G HA3 -0.202 3.757 3.960 -0.003 0.000 0.246 1161 G C -0.099 174.858 174.900 0.096 0.000 0.990 1161 G CA 0.097 45.218 45.100 0.035 0.000 0.627 1161 G HN 0.637 nan 8.290 nan 0.000 0.522 1162 E N -0.626 119.626 120.200 0.087 0.000 2.280 1162 E HA 0.611 4.959 4.350 -0.003 0.000 0.261 1162 E C -0.714 175.982 176.600 0.160 0.000 1.088 1162 E CA -0.687 55.830 56.400 0.196 0.000 0.915 1162 E CB 0.868 30.647 29.700 0.133 0.000 1.141 1162 E HN 0.231 nan 8.360 nan 0.000 0.433 1163 Y N 0.045 120.355 120.300 0.016 0.000 2.487 1163 Y HA 0.185 4.733 4.550 -0.003 0.000 0.337 1163 Y C 0.455 176.331 175.900 -0.040 0.000 1.076 1163 Y CA -1.013 57.089 58.100 0.003 0.000 1.115 1163 Y CB 1.723 40.180 38.460 -0.005 0.000 1.235 1163 Y HN 0.350 nan 8.280 nan 0.000 0.468 1164 S N 0.649 116.398 115.700 0.082 0.000 2.508 1164 S HA 0.737 5.206 4.470 -0.003 0.000 0.284 1164 S C -1.049 173.464 174.600 -0.146 0.000 1.192 1164 S CA -0.732 57.441 58.200 -0.045 0.000 1.070 1164 S CB 1.053 64.253 63.200 0.000 0.000 1.004 1164 S HN 0.342 nan 8.310 nan 0.000 0.493 1165 V N 3.365 122.987 119.914 -0.486 0.000 2.334 1165 V HA 0.493 4.612 4.120 -0.003 0.000 0.281 1165 V C -0.001 175.767 176.094 -0.544 0.000 1.016 1165 V CA -0.601 61.315 62.300 -0.641 0.000 0.832 1165 V CB 1.135 32.278 31.823 -1.134 0.000 0.999 1165 V HN 0.961 nan 8.190 nan 0.000 0.439 1166 K N 4.925 125.173 120.400 -0.253 0.000 2.425 1166 K HA 0.539 4.857 4.320 -0.003 0.000 0.259 1166 K C -1.257 175.268 176.600 -0.124 0.000 0.978 1166 K CA -0.797 55.416 56.287 -0.124 0.000 0.883 1166 K CB 1.280 33.764 32.500 -0.026 0.000 1.110 1166 K HN 0.527 nan 8.250 nan 0.000 0.436 1167 L N 5.952 127.105 121.223 -0.116 0.000 2.315 1167 L HA 0.240 4.579 4.340 -0.003 0.000 0.283 1167 L C 0.063 176.874 176.870 -0.098 0.000 1.089 1167 L CA -0.022 54.721 54.840 -0.162 0.000 0.833 1167 L CB 0.519 42.468 42.059 -0.184 0.000 1.170 1167 L HN 0.484 nan 8.230 nan 0.000 0.442 1168 L N 2.830 123.999 121.223 -0.089 0.000 2.479 1168 L HA 0.297 4.635 4.340 -0.003 0.000 0.248 1168 L C 0.717 177.563 176.870 -0.040 0.000 1.205 1168 L CA -0.780 54.034 54.840 -0.043 0.000 0.817 1168 L CB 0.123 42.169 42.059 -0.022 0.000 1.162 1168 L HN 0.519 nan 8.230 nan 0.000 0.486 1169 K N 0.154 120.542 120.400 -0.019 0.000 2.401 1169 K HA 0.250 4.569 4.320 -0.003 0.000 0.278 1169 K C 0.747 177.343 176.600 -0.008 0.000 1.018 1169 K CA 0.834 57.113 56.287 -0.014 0.000 0.981 1169 K CB 0.384 32.881 32.500 -0.005 0.000 0.933 1169 K HN 0.800 nan 8.250 nan 0.000 0.477 1170 G N 1.934 110.730 108.800 -0.006 0.000 2.259 1170 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.217 1170 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.217 1170 G C 0.210 175.120 174.900 0.017 0.000 1.001 1170 G CA -0.030 45.074 45.100 0.007 0.000 0.627 1170 G HN 0.965 nan 8.290 nan 0.000 0.501 1171 A N 0.530 123.351 122.820 0.003 0.000 2.409 1171 A HA 0.612 4.930 4.320 -0.003 0.000 0.246 1171 A C 0.889 178.493 177.584 0.033 0.000 1.099 1171 A CA 1.482 53.535 52.037 0.025 0.000 0.789 1171 A CB 0.012 18.933 19.000 -0.133 0.000 1.053 1171 A HN 1.582 nan 8.150 nan 0.000 0.503 1172 T N 0.015 114.638 114.554 0.116 0.000 2.824 1172 T HA 0.655 5.003 4.350 -0.003 0.000 0.280 1172 T C -0.365 174.319 174.700 -0.027 0.000 0.995 1172 T CA -0.563 61.542 62.100 0.008 0.000 1.009 1172 T CB 0.865 69.719 68.868 -0.023 0.000 0.955 1172 T HN 0.454 nan 8.240 nan 0.000 0.452 1173 L N 2.386 123.507 121.223 -0.170 0.000 2.370 1173 L HA 0.492 4.830 4.340 -0.003 0.000 0.266 1173 L C -1.340 175.346 176.870 -0.306 0.000 1.002 1173 L CA -1.216 53.537 54.840 -0.146 0.000 0.818 1173 L CB 2.294 44.309 42.059 -0.073 0.000 1.325 1173 L HN 0.728 nan 8.230 nan 0.000 0.418 1174 Y N 3.258 123.589 120.300 0.052 0.000 2.356 1174 Y HA 0.436 4.985 4.550 -0.003 0.000 0.334 1174 Y C 0.128 176.039 175.900 0.017 0.000 0.958 1174 Y CA -0.399 57.726 58.100 0.042 0.000 1.196 1174 Y CB 1.223 39.712 38.460 0.048 0.000 1.137 1174 Y HN 0.273 nan 8.280 nan 0.000 0.485 1175 I N 6.927 127.595 120.570 0.163 0.000 2.328 1175 I HA 0.319 4.487 4.170 -0.003 0.000 0.287 1175 I C -2.321 173.849 176.117 0.088 0.000 1.012 1175 I CA -2.251 59.102 61.300 0.089 0.000 1.195 1175 I CB 1.398 39.426 38.000 0.047 0.000 1.350 1175 I HN 0.344 nan 8.210 nan 0.000 0.464 1176 P HA 0.131 nan 4.420 nan 0.000 0.269 1176 P C -1.109 176.210 177.300 0.032 0.000 1.209 1176 P CA -0.112 63.013 63.100 0.041 0.000 0.776 1176 P CB 0.499 32.212 31.700 0.022 0.000 0.876 1177 K N 0.460 120.875 120.400 0.024 0.000 2.533 1177 K HA 0.898 5.216 4.320 -0.003 0.000 0.284 1177 K C -1.750 174.855 176.600 0.008 0.000 1.025 1177 K CA -1.258 55.040 56.287 0.019 0.000 0.900 1177 K CB 1.514 34.030 32.500 0.026 0.000 1.519 1177 K HN 0.292 nan 8.250 nan 0.000 0.432 1178 A N 0.939 123.765 122.820 0.010 0.000 2.413 1178 A HA 0.752 5.070 4.320 -0.003 0.000 0.307 1178 A C -1.683 175.909 177.584 0.012 0.000 1.087 1178 A CA -0.860 51.180 52.037 0.006 0.000 0.750 1178 A CB 1.619 20.626 19.000 0.012 0.000 1.296 1178 A HN 0.471 nan 8.150 nan 0.000 0.423 1179 L N 1.214 122.442 121.223 0.008 0.000 2.410 1179 L HA 0.521 4.859 4.340 -0.003 0.000 0.270 1179 L C -0.495 176.420 176.870 0.074 0.000 0.983 1179 L CA -0.339 54.520 54.840 0.030 0.000 0.822 1179 L CB 1.805 43.852 42.059 -0.019 0.000 1.285 1179 L HN 0.929 nan 8.230 nan 0.000 0.409 1180 R N 3.696 124.262 120.500 0.109 0.000 2.234 1180 R HA 0.381 4.719 4.340 -0.003 0.000 0.324 1180 R C -0.902 175.555 176.300 0.261 0.000 1.054 1180 R CA -0.324 55.863 56.100 0.144 0.000 0.912 1180 R CB 1.123 31.484 30.300 0.101 0.000 1.030 1180 R HN 0.323 nan 8.270 nan 0.000 0.455 1181 F N 1.793 121.797 119.950 0.089 0.000 2.470 1181 F HA 0.251 4.776 4.527 -0.003 0.000 0.329 1181 F C 0.794 176.657 175.800 0.106 0.000 1.072 1181 F CA -1.196 56.895 58.000 0.152 0.000 0.989 1181 F CB 1.517 40.657 39.000 0.232 0.000 1.193 1181 F HN 0.473 nan 8.300 nan 0.000 0.481 1182 D N 1.450 121.497 120.400 -0.587 0.000 2.249 1182 D HA -0.018 4.621 4.640 -0.003 0.000 0.205 1182 D C 0.357 176.305 176.300 -0.586 0.000 0.962 1182 D CA 0.957 54.668 54.000 -0.482 0.000 0.860 1182 D CB 0.204 40.800 40.800 -0.340 0.000 0.955 1182 D HN 0.228 nan 8.370 nan 0.000 0.505 1183 R N 1.422 121.337 120.500 -0.975 0.000 2.205 1183 R HA 0.184 4.523 4.340 -0.003 0.000 0.342 1183 R C 0.387 176.550 176.300 -0.229 0.000 1.058 1183 R CA -0.282 55.514 56.100 -0.506 0.000 0.904 1183 R CB 0.906 30.978 30.300 -0.381 0.000 1.089 1183 R HN 0.026 nan 8.270 nan 0.000 0.471 1184 L N 2.229 123.342 121.223 -0.183 0.000 2.766 1184 L HA 0.264 4.602 4.340 -0.003 0.000 0.242 1184 L C 0.076 176.921 176.870 -0.043 0.000 1.136 1184 L CA 0.243 55.032 54.840 -0.086 0.000 0.933 1184 L CB 0.641 42.653 42.059 -0.078 0.000 1.241 1184 L HN 0.164 nan 8.230 nan 0.000 0.522 1185 V N -0.629 119.240 119.914 -0.074 0.000 2.709 1185 V HA 0.892 5.011 4.120 -0.003 0.000 0.308 1185 V C -0.349 175.679 176.094 -0.111 0.000 1.062 1185 V CA -0.689 61.572 62.300 -0.066 0.000 0.901 1185 V CB 1.811 33.597 31.823 -0.061 0.000 1.003 1185 V HN 0.078 nan 8.190 nan 0.000 0.425 1186 A N 2.422 125.139 122.820 -0.173 0.000 2.566 1186 A HA 0.884 5.202 4.320 -0.003 0.000 0.292 1186 A C 0.005 177.483 177.584 -0.177 0.000 1.112 1186 A CA -0.254 51.602 52.037 -0.302 0.000 0.707 1186 A CB 1.861 20.322 19.000 -0.900 0.000 1.302 1186 A HN 1.224 nan 8.150 nan 0.000 0.409 1187 G N 0.643 109.373 108.800 -0.117 0.000 2.448 1187 G HA2 0.507 4.465 3.960 -0.003 0.000 0.309 1187 G HA3 0.507 4.465 3.960 -0.003 0.000 0.309 1187 G C -0.364 174.506 174.900 -0.049 0.000 1.027 1187 G CA -0.143 44.932 45.100 -0.041 0.000 1.104 1187 G HN 0.670 nan 8.290 nan 0.000 0.428 1188 Q N 1.498 121.253 119.800 -0.076 0.000 2.306 1188 Q HA 0.455 4.793 4.340 -0.003 0.000 0.265 1188 Q C -0.282 175.655 176.000 -0.105 0.000 1.022 1188 Q CA -1.021 54.769 55.803 -0.021 0.000 0.853 1188 Q CB 2.452 31.229 28.738 0.066 0.000 1.327 1188 Q HN 0.469 nan 8.270 nan 0.000 0.449 1189 I N 3.268 123.750 120.570 -0.146 0.000 2.845 1189 I HA -0.055 4.114 4.170 -0.003 0.000 0.296 1189 I C -2.077 173.966 176.117 -0.124 0.000 1.216 1189 I CA -0.870 60.287 61.300 -0.240 0.000 1.438 1189 I CB -0.130 37.572 38.000 -0.497 0.000 1.342 1189 I HN 0.396 nan 8.210 nan 0.000 0.577 1190 P HA -0.044 nan 4.420 nan 0.000 0.263 1190 P C -0.694 176.634 177.300 0.047 0.000 1.175 1190 P CA 0.140 63.235 63.100 -0.009 0.000 0.761 1190 P CB 0.076 31.812 31.700 0.059 0.000 0.794 1191 T N 2.846 117.426 114.554 0.043 0.000 2.817 1191 T HA 0.362 4.710 4.350 -0.003 0.000 0.295 1191 T C 1.372 176.027 174.700 -0.075 0.000 0.958 1191 T CA 1.062 63.167 62.100 0.009 0.000 1.157 1191 T CB -0.210 68.690 68.868 0.053 0.000 0.898 1191 T HN 0.797 nan 8.240 nan 0.000 0.536 1192 G N 2.676 111.439 108.800 -0.060 0.000 2.184 1192 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.206 1192 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.206 1192 G C 0.029 174.884 174.900 -0.074 0.000 0.995 1192 G CA -0.581 44.432 45.100 -0.145 0.000 0.651 1192 G HN 0.766 nan 8.290 nan 0.000 0.511 1193 W N 1.604 122.824 121.300 -0.135 0.000 2.209 1193 W HA 0.541 5.199 4.660 -0.003 0.000 0.344 1193 W C 0.146 176.623 176.519 -0.071 0.000 1.285 1193 W CA 1.041 58.341 57.345 -0.075 0.000 1.267 1193 W CB 0.507 29.978 29.460 0.019 0.000 1.167 1193 W HN 0.152 nan 8.180 nan 0.000 0.574 1194 N N 3.526 121.901 118.700 -0.542 0.000 2.616 1194 N HA 0.188 4.927 4.740 -0.003 0.000 0.281 1194 N C 0.248 175.330 175.510 -0.713 0.000 1.145 1194 N CA 0.207 53.000 53.050 -0.427 0.000 0.919 1194 N CB 1.400 39.688 38.487 -0.331 0.000 1.509 1194 N HN 0.552 nan 8.380 nan 0.000 0.537 1195 A N 3.322 125.816 122.820 -0.543 0.000 2.139 1195 A HA -0.141 4.177 4.320 -0.003 0.000 0.221 1195 A C 1.931 179.363 177.584 -0.254 0.000 1.159 1195 A CA 1.197 53.005 52.037 -0.382 0.000 0.662 1195 A CB -0.147 18.801 19.000 -0.087 0.000 0.796 1195 A HN 0.686 nan 8.150 nan 0.000 0.463 1196 K N -1.038 119.214 120.400 -0.247 0.000 2.097 1196 K HA -0.130 4.188 4.320 -0.003 0.000 0.206 1196 K C 2.268 178.737 176.600 -0.218 0.000 1.049 1196 K CA 1.747 57.920 56.287 -0.189 0.000 0.933 1196 K CB -0.274 32.127 32.500 -0.165 0.000 0.717 1196 K HN 0.639 nan 8.250 nan 0.000 0.442 1197 T N -1.396 112.929 114.554 -0.382 0.000 3.023 1197 T HA -0.087 4.261 4.350 -0.003 0.000 0.266 1197 T C 1.578 176.007 174.700 -0.453 0.000 1.093 1197 T CA 0.649 62.451 62.100 -0.497 0.000 1.129 1197 T CB -0.162 68.201 68.868 -0.841 0.000 0.899 1197 T HN 0.131 nan 8.240 nan 0.000 0.491 1198 Y N 1.384 121.514 120.300 -0.283 0.000 2.571 1198 Y HA 0.329 4.877 4.550 -0.003 0.000 0.294 1198 Y C 2.071 178.006 175.900 0.058 0.000 1.141 1198 Y CA 0.382 58.452 58.100 -0.050 0.000 1.308 1198 Y CB -0.134 38.280 38.460 -0.076 0.000 1.002 1198 Y HN 0.477 nan 8.280 nan 0.000 0.551 1199 G N 0.031 108.891 108.800 0.099 0.000 2.143 1199 G HA2 -0.213 3.746 3.960 -0.003 0.000 0.175 1199 G HA3 -0.213 3.746 3.960 -0.003 0.000 0.175 1199 G C -0.082 174.926 174.900 0.180 0.000 1.004 1199 G CA -0.387 44.801 45.100 0.146 0.000 0.671 1199 G HN 0.194 nan 8.290 nan 0.000 0.512 1200 I N 2.730 123.302 120.570 0.003 0.000 2.371 1200 I HA 0.329 4.498 4.170 -0.003 0.000 0.290 1200 I C 1.405 177.481 176.117 -0.069 0.000 1.028 1200 I CA -0.133 61.078 61.300 -0.147 0.000 1.345 1200 I CB 1.364 39.104 38.000 -0.432 0.000 1.407 1200 I HN 0.391 nan 8.210 nan 0.000 0.501 1201 S N 3.862 119.561 115.700 -0.003 0.000 2.552 1201 S HA -0.019 4.450 4.470 -0.003 0.000 0.289 1201 S C 0.851 175.414 174.600 -0.062 0.000 1.304 1201 S CA -0.603 57.593 58.200 -0.007 0.000 1.063 1201 S CB 0.888 64.108 63.200 0.033 0.000 0.848 1201 S HN 0.584 nan 8.310 nan 0.000 0.499 1202 D N 2.172 122.541 120.400 -0.052 0.000 2.190 1202 D HA -0.132 4.506 4.640 -0.003 0.000 0.200 1202 D C 1.102 177.357 176.300 -0.075 0.000 0.992 1202 D CA 1.577 55.539 54.000 -0.064 0.000 0.854 1202 D CB -0.278 40.494 40.800 -0.047 0.000 0.936 1202 D HN 0.720 nan 8.370 nan 0.000 0.462 1203 D N -0.040 120.321 120.400 -0.066 0.000 2.117 1203 D HA -0.074 4.565 4.640 -0.003 0.000 0.197 1203 D C 2.202 178.422 176.300 -0.134 0.000 0.987 1203 D CA 0.443 54.397 54.000 -0.076 0.000 0.829 1203 D CB -0.157 40.614 40.800 -0.049 0.000 0.961 1203 D HN 0.286 nan 8.370 nan 0.000 0.460 1204 I N 0.591 121.060 120.570 -0.168 0.000 2.252 1204 I HA -0.197 3.971 4.170 -0.003 0.000 0.245 1204 I C 2.036 177.990 176.117 -0.272 0.000 1.102 1204 I CA 0.461 61.589 61.300 -0.287 0.000 1.385 1204 I CB -0.144 37.684 38.000 -0.287 0.000 1.064 1204 I HN 0.022 nan 8.210 nan 0.000 0.414 1205 I N 0.479 120.933 120.570 -0.192 0.000 2.151 1205 I HA -0.338 3.830 4.170 -0.003 0.000 0.243 1205 I C 2.812 178.847 176.117 -0.137 0.000 1.080 1205 I CA 1.827 63.035 61.300 -0.154 0.000 1.339 1205 I CB -1.368 36.566 38.000 -0.109 0.000 1.039 1205 I HN 0.303 nan 8.210 nan 0.000 0.409 1206 S N 0.701 116.330 115.700 -0.118 0.000 2.349 1206 S HA -0.313 4.155 4.470 -0.003 0.000 0.216 1206 S C 2.087 176.623 174.600 -0.108 0.000 1.033 1206 S CA 2.124 60.268 58.200 -0.093 0.000 1.021 1206 S CB -0.427 62.730 63.200 -0.072 0.000 0.968 1206 S HN 0.479 nan 8.310 nan 0.000 0.426 1207 Q N 0.594 120.312 119.800 -0.137 0.000 2.173 1207 Q HA -0.042 4.296 4.340 -0.003 0.000 0.208 1207 Q C 0.461 176.370 176.000 -0.151 0.000 0.989 1207 Q CA 1.503 57.224 55.803 -0.137 0.000 0.872 1207 Q CB -0.409 28.204 28.738 -0.208 0.000 0.909 1207 Q HN 0.441 nan 8.270 nan 0.000 0.420 1208 V N 1.071 120.843 119.914 -0.238 0.000 2.834 1208 V HA 0.139 4.257 4.120 -0.003 0.000 0.313 1208 V C -0.210 175.803 176.094 -0.135 0.000 1.060 1208 V CA -0.806 61.350 62.300 -0.241 0.000 0.989 1208 V CB 1.631 33.183 31.823 -0.452 0.000 1.041 1208 V HN 0.332 nan 8.190 nan 0.000 0.459 1209 D N 3.955 124.305 120.400 -0.083 0.000 2.389 1209 D HA 0.162 4.800 4.640 -0.003 0.000 0.247 1209 D C -1.634 174.566 176.300 -0.167 0.000 1.128 1209 D CA -1.524 52.428 54.000 -0.081 0.000 0.884 1209 D CB 2.035 42.820 40.800 -0.025 0.000 1.194 1209 D HN 0.185 nan 8.370 nan 0.000 0.441 1210 P HA -0.208 nan 4.420 nan 0.000 0.219 1210 P C 1.721 178.546 177.300 -0.791 0.000 1.158 1210 P CA 0.996 63.854 63.100 -0.404 0.000 0.895 1210 P CB 0.128 31.654 31.700 -0.290 0.000 0.792 1211 I N -1.213 119.038 120.570 -0.533 0.000 2.264 1211 I HA -0.254 3.914 4.170 -0.003 0.000 0.248 1211 I C 1.446 177.389 176.117 -0.290 0.000 1.111 1211 I CA 1.772 62.825 61.300 -0.411 0.000 1.382 1211 I CB -0.360 37.645 38.000 0.009 0.000 1.060 1211 I HN 0.016 nan 8.210 nan 0.000 0.418 1212 T N 1.527 115.954 114.554 -0.212 0.000 2.915 1212 T HA -0.118 4.231 4.350 -0.003 0.000 0.269 1212 T C 1.858 176.474 174.700 -0.141 0.000 1.071 1212 T CA 1.071 63.090 62.100 -0.135 0.000 1.132 1212 T CB -0.173 68.661 68.868 -0.056 0.000 0.878 1212 T HN 0.328 nan 8.240 nan 0.000 0.479 1213 L N -0.240 120.857 121.223 -0.211 0.000 2.056 1213 L HA -0.012 4.327 4.340 -0.003 0.000 0.207 1213 L C 2.344 179.327 176.870 0.189 0.000 1.078 1213 L CA 1.150 55.958 54.840 -0.054 0.000 0.749 1213 L CB -0.645 41.415 42.059 0.001 0.000 0.901 1213 L HN 0.199 nan 8.230 nan 0.000 0.433 1214 F N 0.094 120.079 119.950 0.057 0.000 2.046 1214 F HA -0.212 4.314 4.527 -0.003 0.000 0.297 1214 F C 2.593 178.430 175.800 0.062 0.000 1.123 1214 F CA 0.937 58.953 58.000 0.026 0.000 1.199 1214 F CB -1.638 37.347 39.000 -0.025 0.000 0.972 1214 F HN -0.216 nan 8.300 nan 0.000 0.474 1215 V N 0.543 120.557 119.914 0.167 0.000 2.252 1215 V HA -0.322 3.796 4.120 -0.003 0.000 0.249 1215 V C 2.646 178.807 176.094 0.111 0.000 1.056 1215 V CA 1.790 64.107 62.300 0.028 0.000 1.022 1215 V CB -0.937 30.699 31.823 -0.312 0.000 0.641 1215 V HN 0.324 nan 8.190 nan 0.000 0.445 1216 L N -0.475 120.805 121.223 0.095 0.000 2.013 1216 L HA -0.203 4.135 4.340 -0.003 0.000 0.212 1216 L C 2.483 179.474 176.870 0.202 0.000 1.073 1216 L CA 1.576 56.503 54.840 0.146 0.000 0.753 1216 L CB -0.578 41.470 42.059 -0.019 0.000 0.890 1216 L HN 0.229 nan 8.230 nan 0.000 0.432 1217 V N -0.409 119.599 119.914 0.157 0.000 2.407 1217 V HA -0.249 3.869 4.120 -0.003 0.000 0.248 1217 V C 2.492 178.662 176.094 0.126 0.000 1.055 1217 V CA 2.010 64.373 62.300 0.104 0.000 1.049 1217 V CB -0.404 31.419 31.823 -0.000 0.000 0.662 1217 V HN 0.539 nan 8.190 nan 0.000 0.455 1218 S N -0.378 115.428 115.700 0.176 0.000 2.414 1218 S HA -0.091 4.377 4.470 -0.003 0.000 0.227 1218 S C 1.957 176.679 174.600 0.204 0.000 1.022 1218 S CA 1.065 59.374 58.200 0.182 0.000 0.958 1218 S CB -0.255 63.071 63.200 0.210 0.000 0.797 1218 S HN 0.356 nan 8.310 nan 0.000 0.493 1219 V N 1.975 122.034 119.914 0.242 0.000 2.407 1219 V HA -0.144 3.974 4.120 -0.003 0.000 0.248 1219 V C 2.484 178.827 176.094 0.416 0.000 1.055 1219 V CA 1.400 63.880 62.300 0.299 0.000 1.049 1219 V CB -0.845 31.186 31.823 0.347 0.000 0.662 1219 V HN 0.379 nan 8.190 nan 0.000 0.455 1220 V N -0.338 119.805 119.914 0.382 0.000 2.244 1220 V HA -0.260 3.858 4.120 -0.003 0.000 0.244 1220 V C 2.444 178.749 176.094 0.351 0.000 1.042 1220 V CA 2.147 64.680 62.300 0.389 0.000 1.006 1220 V CB -0.593 31.473 31.823 0.404 0.000 0.641 1220 V HN 0.560 nan 8.190 nan 0.000 0.446 1221 E N -0.321 120.046 120.200 0.278 0.000 2.209 1221 E HA -0.229 4.119 4.350 -0.003 0.000 0.196 1221 E C 2.197 178.888 176.600 0.151 0.000 0.993 1221 E CA 1.260 57.801 56.400 0.236 0.000 0.819 1221 E CB -0.179 29.634 29.700 0.188 0.000 0.745 1221 E HN 0.606 nan 8.360 nan 0.000 0.477 1222 A N 0.249 123.143 122.820 0.124 0.000 1.898 1222 A HA -0.095 4.224 4.320 -0.003 0.000 0.214 1222 A C 1.771 179.345 177.584 -0.016 0.000 1.183 1222 A CA 0.642 52.677 52.037 -0.004 0.000 0.622 1222 A CB -0.557 18.424 19.000 -0.031 0.000 0.824 1222 A HN 0.158 nan 8.150 nan 0.000 0.444 1223 F N 0.809 120.811 119.950 0.087 0.000 2.126 1223 F HA -0.179 4.346 4.527 -0.003 0.000 0.299 1223 F C 2.204 178.056 175.800 0.087 0.000 1.096 1223 F CA 1.232 59.276 58.000 0.072 0.000 1.255 1223 F CB -0.234 38.801 39.000 0.058 0.000 0.997 1223 F HN 0.142 nan 8.300 nan 0.000 0.479 1224 I N -0.162 120.594 120.570 0.310 0.000 2.264 1224 I HA -0.293 3.876 4.170 -0.003 0.000 0.248 1224 I C 2.524 178.794 176.117 0.256 0.000 1.111 1224 I CA 1.519 62.996 61.300 0.295 0.000 1.382 1224 I CB -1.767 36.455 38.000 0.370 0.000 1.060 1224 I HN 0.098 nan 8.210 nan 0.000 0.418 1225 A N 0.051 122.950 122.820 0.132 0.000 2.168 1225 A HA -0.105 4.214 4.320 -0.003 0.000 0.215 1225 A C 2.357 179.981 177.584 0.066 0.000 1.152 1225 A CA 1.565 53.630 52.037 0.047 0.000 0.716 1225 A CB -0.355 18.468 19.000 -0.295 0.000 0.794 1225 A HN 0.441 nan 8.150 nan 0.000 0.465 1226 S N -1.733 114.021 115.700 0.090 0.000 2.539 1226 S HA 0.382 4.851 4.470 -0.003 0.000 0.221 1226 S C 1.257 175.924 174.600 0.111 0.000 0.987 1226 S CA 1.119 59.344 58.200 0.042 0.000 0.929 1226 S CB -0.378 62.842 63.200 0.033 0.000 0.832 1226 S HN 1.776 nan 8.310 nan 0.000 0.492 1227 G N 1.784 110.749 108.800 0.275 0.000 2.168 1227 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.257 1227 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.257 1227 G C -0.007 174.998 174.900 0.176 0.000 0.997 1227 G CA 0.385 45.674 45.100 0.315 0.000 0.708 1227 G HN 0.543 nan 8.290 nan 0.000 0.520 1228 I N 1.417 122.095 120.570 0.179 0.000 2.291 1228 I HA 0.255 4.423 4.170 -0.003 0.000 0.292 1228 I C 1.359 177.483 176.117 0.012 0.000 1.064 1228 I CA 0.516 61.898 61.300 0.137 0.000 1.269 1228 I CB 0.654 38.848 38.000 0.322 0.000 1.418 1228 I HN 0.094 nan 8.210 nan 0.000 0.485 1229 T N 3.357 117.830 114.554 -0.136 0.000 3.031 1229 T HA -0.025 4.323 4.350 -0.003 0.000 0.254 1229 T C 0.377 174.794 174.700 -0.472 0.000 1.060 1229 T CA 0.706 62.550 62.100 -0.427 0.000 1.135 1229 T CB 0.101 68.673 68.868 -0.493 0.000 0.896 1229 T HN 0.591 nan 8.240 nan 0.000 0.472 1230 D N 0.363 120.583 120.400 -0.300 0.000 2.471 1230 D HA 0.368 5.007 4.640 -0.003 0.000 0.245 1230 D C -2.018 174.124 176.300 -0.263 0.000 1.116 1230 D CA -2.434 51.388 54.000 -0.297 0.000 0.853 1230 D CB 1.987 42.656 40.800 -0.220 0.000 1.123 1230 D HN -0.082 nan 8.370 nan 0.000 0.540 1231 P HA -0.193 nan 4.420 nan 0.000 0.217 1231 P C 0.831 178.044 177.300 -0.144 0.000 1.151 1231 P CA 1.068 63.924 63.100 -0.407 0.000 0.849 1231 P CB -0.028 31.412 31.700 -0.433 0.000 0.787 1232 Y N -0.138 120.014 120.300 -0.247 0.000 2.651 1232 Y HA -0.110 4.438 4.550 -0.003 0.000 0.296 1232 Y C 2.262 178.078 175.900 -0.139 0.000 1.150 1232 Y CA -0.046 57.965 58.100 -0.148 0.000 1.348 1232 Y CB -1.391 37.087 38.460 0.031 0.000 0.983 1232 Y HN 0.213 nan 8.280 nan 0.000 0.555 1233 E N -0.181 120.033 120.200 0.023 0.000 2.208 1233 E HA -0.175 4.174 4.350 -0.003 0.000 0.193 1233 E C 1.939 178.633 176.600 0.157 0.000 0.988 1233 E CA 0.515 56.963 56.400 0.081 0.000 0.828 1233 E CB -0.056 29.702 29.700 0.096 0.000 0.763 1233 E HN 0.419 nan 8.360 nan 0.000 0.478 1234 M N -0.187 119.409 119.600 -0.006 0.000 2.106 1234 M HA -0.222 4.256 4.480 -0.003 0.000 0.259 1234 M C 1.308 177.661 176.300 0.087 0.000 1.068 1234 M CA 1.499 56.800 55.300 0.002 0.000 1.100 1234 M CB -0.211 32.233 32.600 -0.260 0.000 1.351 1234 M HN 0.190 nan 8.290 nan 0.000 0.404 1235 Y N -0.113 120.275 120.300 0.147 0.000 2.578 1235 Y HA 0.001 4.549 4.550 -0.003 0.000 0.297 1235 Y C 1.937 177.823 175.900 -0.024 0.000 1.176 1235 Y CA 0.418 58.561 58.100 0.072 0.000 1.315 1235 Y CB -0.957 37.498 38.460 -0.009 0.000 1.031 1235 Y HN 0.185 nan 8.280 nan 0.000 0.524 1236 K N -1.004 119.433 120.400 0.062 0.000 2.116 1236 K HA -0.097 4.221 4.320 -0.003 0.000 0.203 1236 K C 0.908 177.383 176.600 -0.208 0.000 1.052 1236 K CA 1.393 57.579 56.287 -0.168 0.000 0.952 1236 K CB -0.097 32.173 32.500 -0.383 0.000 0.729 1236 K HN 0.364 nan 8.250 nan 0.000 0.446 1237 Y N -0.584 119.776 120.300 0.100 0.000 2.524 1237 Y HA 0.117 4.666 4.550 -0.003 0.000 0.270 1237 Y C 0.785 176.773 175.900 0.147 0.000 1.094 1237 Y CA -0.366 57.799 58.100 0.107 0.000 1.276 1237 Y CB 0.784 39.298 38.460 0.090 0.000 1.130 1237 Y HN -0.279 nan 8.280 nan 0.000 0.536 1238 V N -1.000 119.122 119.914 0.346 0.000 3.074 1238 V HA 0.254 4.372 4.120 -0.003 0.000 0.314 1238 V C -1.170 175.166 176.094 0.404 0.000 1.117 1238 V CA -1.343 61.159 62.300 0.336 0.000 1.014 1238 V CB 2.101 34.109 31.823 0.308 0.000 1.057 1238 V HN 0.072 nan 8.190 nan 0.000 0.438 1239 H N 0.069 119.301 119.070 0.269 0.000 2.511 1239 H HA 0.378 4.932 4.556 -0.003 0.000 0.346 1239 H C 0.779 176.260 175.328 0.255 0.000 1.128 1239 H CA 0.065 56.261 56.048 0.247 0.000 1.342 1239 H CB 1.643 31.500 29.762 0.158 0.000 1.470 1239 H HN 0.298 nan 8.280 nan 0.000 0.546 1240 V N 2.629 122.226 119.914 -0.529 0.000 2.363 1240 V HA -0.338 3.781 4.120 -0.003 0.000 0.254 1240 V C 2.128 178.172 176.094 -0.083 0.000 1.074 1240 V CA 2.426 64.487 62.300 -0.399 0.000 1.069 1240 V CB -1.076 30.434 31.823 -0.521 0.000 0.659 1240 V HN 0.898 nan 8.190 nan 0.000 0.455 1241 S N -0.818 114.876 115.700 -0.009 0.000 2.603 1241 S HA 0.007 4.475 4.470 -0.003 0.000 0.220 1241 S C 1.195 175.900 174.600 0.175 0.000 0.967 1241 S CA 0.655 58.944 58.200 0.147 0.000 0.920 1241 S CB -0.228 63.139 63.200 0.277 0.000 0.773 1241 S HN 0.779 nan 8.310 nan 0.000 0.529 1242 E N 0.520 120.850 120.200 0.217 0.000 2.624 1242 E HA 0.274 4.622 4.350 -0.003 0.000 0.210 1242 E C -1.099 175.618 176.600 0.195 0.000 0.997 1242 E CA -0.133 56.384 56.400 0.195 0.000 0.999 1242 E CB 1.316 31.140 29.700 0.207 0.000 1.040 1242 E HN 0.267 nan 8.360 nan 0.000 0.469 1243 V N 1.077 121.124 119.914 0.223 0.000 2.384 1243 V HA 0.547 4.665 4.120 -0.003 0.000 0.287 1243 V C 0.417 176.620 176.094 0.183 0.000 1.020 1243 V CA -0.645 61.784 62.300 0.216 0.000 0.850 1243 V CB 1.489 33.475 31.823 0.272 0.000 0.987 1243 V HN 0.210 nan 8.190 nan 0.000 0.436 1244 G N 2.878 111.768 108.800 0.150 0.000 2.644 1244 G HA2 0.513 4.472 3.960 -0.003 0.000 0.307 1244 G HA3 0.513 4.472 3.960 -0.003 0.000 0.307 1244 G C -1.037 173.942 174.900 0.131 0.000 1.250 1244 G CA -0.586 44.589 45.100 0.125 0.000 0.996 1244 G HN 0.495 nan 8.290 nan 0.000 0.489 1245 N N -0.500 118.271 118.700 0.119 0.000 2.540 1245 N HA 0.239 4.977 4.740 -0.003 0.000 0.275 1245 N C -0.480 175.095 175.510 0.109 0.000 1.053 1245 N CA -0.454 52.675 53.050 0.130 0.000 0.876 1245 N CB 1.542 40.121 38.487 0.152 0.000 1.284 1245 N HN 0.277 nan 8.380 nan 0.000 0.518 1246 C N 1.266 120.625 119.300 0.099 0.000 2.881 1246 C HA 0.223 4.681 4.460 -0.003 0.000 0.290 1246 C C 1.066 176.104 174.990 0.081 0.000 1.362 1246 C CA -0.506 58.556 59.018 0.075 0.000 1.757 1246 C CB -1.797 25.972 27.740 0.048 0.000 2.265 1246 C HN 0.697 nan 8.230 nan 0.000 0.600 1247 S N 0.772 116.555 115.700 0.139 0.000 2.568 1247 S HA 0.557 5.026 4.470 -0.003 0.000 0.282 1247 S C 0.134 174.781 174.600 0.077 0.000 1.338 1247 S CA 0.263 58.567 58.200 0.173 0.000 1.045 1247 S CB 1.214 64.662 63.200 0.413 0.000 0.873 1247 S HN 0.628 nan 8.310 nan 0.000 0.516 1248 G N -0.119 108.572 108.800 -0.182 0.000 2.680 1248 G HA2 0.625 4.584 3.960 -0.003 0.000 0.290 1248 G HA3 0.625 4.584 3.960 -0.003 0.000 0.290 1248 G C -1.279 173.213 174.900 -0.680 0.000 1.355 1248 G CA -0.756 44.170 45.100 -0.290 0.000 0.903 1248 G HN 0.899 nan 8.290 nan 0.000 0.474 1249 S N -1.804 113.661 115.700 -0.391 0.000 2.599 1249 S HA 0.668 5.137 4.470 -0.003 0.000 0.287 1249 S C 1.177 175.701 174.600 -0.127 0.000 1.105 1249 S CA 0.314 58.320 58.200 -0.323 0.000 0.899 1249 S CB 1.516 64.656 63.200 -0.100 0.000 1.100 1249 S HN 1.113 nan 8.310 nan 0.000 0.482 1250 G N 1.956 110.708 108.800 -0.081 0.000 2.456 1250 G HA2 0.054 4.012 3.960 -0.003 0.000 0.213 1250 G HA3 0.054 4.012 3.960 -0.003 0.000 0.213 1250 G C 0.850 175.736 174.900 -0.023 0.000 1.215 1250 G CA 0.995 46.072 45.100 -0.039 0.000 0.805 1250 G HN 0.623 nan 8.290 nan 0.000 0.537 1251 M N -0.853 118.745 119.600 -0.003 0.000 2.979 1251 M HA 0.401 4.880 4.480 -0.003 0.000 0.221 1251 M C 1.254 177.589 176.300 0.058 0.000 1.769 1251 M CA 0.546 55.849 55.300 0.005 0.000 1.260 1251 M CB -0.148 32.432 32.600 -0.033 0.000 1.227 1251 M HN 0.284 nan 8.290 nan 0.000 0.587 1252 G N 0.688 109.539 108.800 0.085 0.000 3.016 1252 G HA2 0.102 4.061 3.960 -0.003 0.000 0.299 1252 G HA3 0.102 4.061 3.960 -0.003 0.000 0.299 1252 G C 0.741 175.723 174.900 0.137 0.000 0.290 1252 G CA 0.462 45.650 45.100 0.148 0.000 1.161 1252 G HN 1.332 nan 8.290 nan 0.000 0.551 1253 G N -0.049 108.814 108.800 0.105 0.000 2.163 1253 G HA2 -0.076 3.883 3.960 -0.003 0.000 0.213 1253 G HA3 -0.076 3.883 3.960 -0.003 0.000 0.213 1253 G C 1.244 176.172 174.900 0.046 0.000 0.991 1253 G CA 0.685 45.831 45.100 0.075 0.000 0.653 1253 G HN 1.840 nan 8.290 nan 0.000 0.518 1254 V N 0.564 120.500 119.914 0.038 0.000 2.688 1254 V HA -0.162 3.956 4.120 -0.003 0.000 0.256 1254 V C 2.634 178.726 176.094 -0.005 0.000 1.084 1254 V CA 2.763 65.063 62.300 0.000 0.000 1.103 1254 V CB -0.261 31.551 31.823 -0.019 0.000 0.688 1254 V HN 0.483 nan 8.190 nan 0.000 0.480 1255 S N -0.565 115.143 115.700 0.013 0.000 2.388 1255 S HA 0.055 4.523 4.470 -0.003 0.000 0.223 1255 S C 2.172 176.781 174.600 0.014 0.000 1.034 1255 S CA 1.060 59.269 58.200 0.014 0.000 0.963 1255 S CB -0.152 63.061 63.200 0.021 0.000 0.827 1255 S HN 0.620 nan 8.310 nan 0.000 0.481 1256 A N 1.331 124.158 122.820 0.012 0.000 1.969 1256 A HA 0.110 4.428 4.320 -0.003 0.000 0.218 1256 A C 2.044 179.646 177.584 0.030 0.000 1.169 1256 A CA 0.792 52.832 52.037 0.005 0.000 0.635 1256 A CB -0.624 18.367 19.000 -0.015 0.000 0.810 1256 A HN 0.503 nan 8.150 nan 0.000 0.445 1257 L N -0.750 120.509 121.223 0.059 0.000 2.042 1257 L HA -0.215 4.124 4.340 -0.003 0.000 0.210 1257 L C 2.889 179.884 176.870 0.209 0.000 1.076 1257 L CA 1.881 56.811 54.840 0.151 0.000 0.749 1257 L CB -0.479 41.631 42.059 0.086 0.000 0.893 1257 L HN 0.518 nan 8.230 nan 0.000 0.432 1258 R N 0.333 120.887 120.500 0.090 0.000 2.075 1258 R HA -0.123 4.216 4.340 -0.003 0.000 0.232 1258 R C 2.099 178.451 176.300 0.087 0.000 1.126 1258 R CA 1.520 57.666 56.100 0.076 0.000 0.963 1258 R CB -0.515 29.792 30.300 0.011 0.000 0.858 1258 R HN 0.368 nan 8.270 nan 0.000 0.435 1259 G N 1.110 109.941 108.800 0.052 0.000 2.462 1259 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.220 1259 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.220 1259 G C 1.432 176.342 174.900 0.017 0.000 1.121 1259 G CA 0.800 45.917 45.100 0.027 0.000 0.758 1259 G HN 0.409 nan 8.290 nan 0.000 0.559 1260 M N -1.581 118.033 119.600 0.024 0.000 2.394 1260 M HA 0.326 4.804 4.480 -0.003 0.000 0.266 1260 M C 1.649 177.856 176.300 -0.155 0.000 1.098 1260 M CA 1.046 56.296 55.300 -0.082 0.000 1.149 1260 M CB 0.204 32.732 32.600 -0.121 0.000 1.369 1260 M HN 0.145 nan 8.290 nan 0.000 0.450 1261 F N -0.147 119.786 119.950 -0.028 0.000 2.678 1261 F HA 0.225 4.750 4.527 -0.003 0.000 0.291 1261 F C 2.255 178.045 175.800 -0.016 0.000 1.123 1261 F CA 0.605 58.580 58.000 -0.041 0.000 1.395 1261 F CB 0.334 39.293 39.000 -0.068 0.000 1.121 1261 F HN 0.075 nan 8.300 nan 0.000 0.592 1262 K N -0.431 120.079 120.400 0.184 0.000 2.485 1262 K HA 0.064 4.382 4.320 -0.003 0.000 0.200 1262 K C 1.100 177.782 176.600 0.136 0.000 1.344 1262 K CA 0.499 56.885 56.287 0.164 0.000 0.948 1262 K CB 0.092 32.648 32.500 0.094 0.000 1.454 1262 K HN -0.189 nan 8.250 nan 0.000 0.502 1263 D N 0.887 121.333 120.400 0.077 0.000 2.224 1263 D HA -0.052 4.586 4.640 -0.003 0.000 0.205 1263 D C 1.772 178.086 176.300 0.024 0.000 0.965 1263 D CA 0.597 54.619 54.000 0.037 0.000 0.852 1263 D CB 0.173 40.985 40.800 0.020 0.000 0.947 1263 D HN 0.106 nan 8.370 nan 0.000 0.494 1264 R N -0.041 120.481 120.500 0.037 0.000 2.073 1264 R HA -0.029 4.310 4.340 -0.003 0.000 0.229 1264 R C 2.034 178.371 176.300 0.061 0.000 1.120 1264 R CA 0.291 56.403 56.100 0.020 0.000 0.967 1264 R CB -0.920 29.374 30.300 -0.009 0.000 0.862 1264 R HN 0.234 nan 8.270 nan 0.000 0.436 1265 F N 2.302 122.221 119.950 -0.053 0.000 2.307 1265 F HA -0.148 4.377 4.527 -0.003 0.000 0.301 1265 F C 1.297 177.065 175.800 -0.054 0.000 1.076 1265 F CA 1.421 59.388 58.000 -0.055 0.000 1.383 1265 F CB 0.097 39.067 39.000 -0.050 0.000 1.055 1265 F HN -0.102 nan 8.300 nan 0.000 0.526 1266 K N -0.407 119.904 120.400 -0.147 0.000 2.374 1266 K HA 0.005 4.324 4.320 -0.003 0.000 0.196 1266 K C 0.416 176.929 176.600 -0.145 0.000 1.023 1266 K CA 0.616 56.772 56.287 -0.219 0.000 1.103 1266 K CB 0.181 32.609 32.500 -0.120 0.000 0.848 1266 K HN 0.000 nan 8.250 nan 0.000 0.528 1267 D N 2.177 122.514 120.400 -0.106 0.000 3.012 1267 D HA -0.165 4.473 4.640 -0.003 0.000 0.222 1267 D C -0.774 175.491 176.300 -0.057 0.000 1.167 1267 D CA 0.867 54.819 54.000 -0.081 0.000 0.854 1267 D CB -0.993 39.747 40.800 -0.100 0.000 1.107 1267 D HN 0.360 nan 8.370 nan 0.000 0.421 1268 E N 0.276 120.448 120.200 -0.046 0.000 2.398 1268 E HA 0.262 4.610 4.350 -0.003 0.000 0.263 1268 E C -2.181 174.404 176.600 -0.025 0.000 1.046 1268 E CA -1.256 55.126 56.400 -0.031 0.000 0.908 1268 E CB 0.413 30.100 29.700 -0.021 0.000 0.963 1268 E HN 0.165 nan 8.360 nan 0.000 0.431 1269 P HA 0.024 nan 4.420 nan 0.000 0.266 1269 P C -1.158 176.131 177.300 -0.017 0.000 1.215 1269 P CA 0.237 63.326 63.100 -0.020 0.000 0.763 1269 P CB 0.524 32.214 31.700 -0.016 0.000 0.806 1270 V N 4.109 124.011 119.914 -0.020 0.000 2.888 1270 V HA 0.181 4.300 4.120 -0.003 0.000 0.309 1270 V C 0.138 176.219 176.094 -0.022 0.000 1.114 1270 V CA -0.860 61.428 62.300 -0.019 0.000 0.940 1270 V CB 2.146 33.958 31.823 -0.019 0.000 1.021 1270 V HN 0.487 nan 8.190 nan 0.000 0.426 1271 Q N 1.973 121.761 119.800 -0.020 0.000 2.539 1271 Q HA -0.000 4.338 4.340 -0.003 0.000 0.268 1271 Q C 0.268 176.254 176.000 -0.023 0.000 1.109 1271 Q CA 0.455 56.247 55.803 -0.018 0.000 0.968 1271 Q CB 0.540 29.270 28.738 -0.013 0.000 1.309 1271 Q HN 0.702 nan 8.270 nan 0.000 0.497 1272 N N 0.331 119.020 118.700 -0.017 0.000 2.422 1272 N HA -0.064 4.674 4.740 -0.003 0.000 0.181 1272 N C -0.708 174.786 175.510 -0.026 0.000 1.080 1272 N CA 0.734 53.771 53.050 -0.022 0.000 0.893 1272 N CB 0.404 38.883 38.487 -0.013 0.000 0.973 1272 N HN 0.520 nan 8.380 nan 0.000 0.456 1273 D N -0.148 120.240 120.400 -0.020 0.000 2.957 1273 D HA 0.103 4.742 4.640 -0.003 0.000 0.352 1273 D C 0.735 177.005 176.300 -0.050 0.000 1.352 1273 D CA -0.347 53.635 54.000 -0.030 0.000 0.831 1273 D CB -0.702 40.100 40.800 0.004 0.000 1.147 1273 D HN 0.265 nan 8.370 nan 0.000 0.467 1274 I N -2.149 118.382 120.570 -0.065 0.000 2.614 1274 I HA -0.108 4.061 4.170 -0.003 0.000 0.258 1274 I C 1.966 177.989 176.117 -0.157 0.000 1.189 1274 I CA 0.214 61.468 61.300 -0.077 0.000 1.462 1274 I CB -0.266 37.698 38.000 -0.060 0.000 1.092 1274 I HN 0.080 nan 8.210 nan 0.000 0.442 1275 L N 1.045 122.145 121.223 -0.206 0.000 2.012 1275 L HA -0.247 4.092 4.340 -0.003 0.000 0.210 1275 L C 2.670 179.085 176.870 -0.758 0.000 1.073 1275 L CA 1.941 56.549 54.840 -0.387 0.000 0.748 1275 L CB -0.789 41.115 42.059 -0.259 0.000 0.891 1275 L HN 0.296 nan 8.230 nan 0.000 0.431 1276 Q N -0.552 118.972 119.800 -0.461 0.000 2.028 1276 Q HA -0.276 4.063 4.340 -0.003 0.000 0.213 1276 Q C 1.832 177.649 176.000 -0.306 0.000 1.017 1276 Q CA 2.333 57.930 55.803 -0.344 0.000 0.875 1276 Q CB -0.322 28.387 28.738 -0.049 0.000 0.962 1276 Q HN 0.569 nan 8.270 nan 0.000 0.413 1277 E N -0.184 119.942 120.200 -0.124 0.000 2.482 1277 E HA -0.066 4.282 4.350 -0.003 0.000 0.196 1277 E C 1.888 178.478 176.600 -0.018 0.000 1.047 1277 E CA 0.904 57.317 56.400 0.022 0.000 0.869 1277 E CB 0.068 29.809 29.700 0.067 0.000 0.836 1277 E HN 0.374 nan 8.360 nan 0.000 0.520 1278 S N 0.067 115.677 115.700 -0.149 0.000 2.446 1278 S HA -0.021 4.447 4.470 -0.003 0.000 0.225 1278 S C 0.813 175.468 174.600 0.092 0.000 1.016 1278 S CA -0.243 57.931 58.200 -0.044 0.000 0.943 1278 S CB -0.383 62.780 63.200 -0.062 0.000 0.786 1278 S HN -0.048 nan 8.310 nan 0.000 0.508 1279 F N 2.001 121.996 119.950 0.076 0.000 2.607 1279 F HA 0.263 4.789 4.527 -0.003 0.000 0.374 1279 F C 1.517 177.372 175.800 0.091 0.000 1.104 1279 F CA -1.491 56.549 58.000 0.066 0.000 1.296 1279 F CB -0.230 38.797 39.000 0.044 0.000 1.085 1279 F HN 0.042 nan 8.300 nan 0.000 0.584 1280 I N 2.233 122.975 120.570 0.288 0.000 2.614 1280 I HA -0.270 3.899 4.170 -0.003 0.000 0.258 1280 I C 1.814 178.075 176.117 0.240 0.000 1.189 1280 I CA 1.071 62.502 61.300 0.219 0.000 1.462 1280 I CB -0.168 37.907 38.000 0.125 0.000 1.092 1280 I HN 0.618 nan 8.210 nan 0.000 0.442 1281 N N -0.565 118.259 118.700 0.205 0.000 2.203 1281 N HA -0.045 4.693 4.740 -0.003 0.000 0.207 1281 N C 1.339 176.940 175.510 0.152 0.000 1.130 1281 N CA 0.838 53.987 53.050 0.164 0.000 0.861 1281 N CB -0.141 38.392 38.487 0.077 0.000 1.005 1281 N HN 0.236 nan 8.380 nan 0.000 0.507 1282 T N -2.134 112.534 114.554 0.189 0.000 3.081 1282 T HA 0.132 4.480 4.350 -0.003 0.000 0.255 1282 T C 1.694 176.476 174.700 0.136 0.000 1.113 1282 T CA 0.075 62.230 62.100 0.091 0.000 1.082 1282 T CB -0.050 68.874 68.868 0.094 0.000 0.939 1282 T HN -0.114 nan 8.240 nan 0.000 0.506 1283 M N 1.977 121.699 119.600 0.203 0.000 2.099 1283 M HA 0.065 4.544 4.480 -0.003 0.000 0.262 1283 M C 2.658 179.048 176.300 0.150 0.000 1.067 1283 M CA 1.557 56.949 55.300 0.153 0.000 1.124 1283 M CB -0.539 32.024 32.600 -0.062 0.000 1.353 1283 M HN 0.226 nan 8.290 nan 0.000 0.410 1284 S N 0.354 116.158 115.700 0.175 0.000 2.419 1284 S HA -0.069 4.400 4.470 -0.003 0.000 0.233 1284 S C 2.104 176.785 174.600 0.134 0.000 1.016 1284 S CA 1.102 59.407 58.200 0.175 0.000 0.974 1284 S CB -0.652 62.661 63.200 0.188 0.000 0.786 1284 S HN 0.548 nan 8.310 nan 0.000 0.492 1285 A N 0.947 123.807 122.820 0.065 0.000 1.873 1285 A HA -0.053 4.265 4.320 -0.003 0.000 0.215 1285 A C 1.846 179.414 177.584 -0.028 0.000 1.186 1285 A CA 1.009 53.020 52.037 -0.044 0.000 0.616 1285 A CB -1.067 17.820 19.000 -0.189 0.000 0.823 1285 A HN 0.667 nan 8.150 nan 0.000 0.442 1286 W N -0.160 121.199 121.300 0.099 0.000 2.363 1286 W HA -0.125 4.533 4.660 -0.003 0.000 0.296 1286 W C 2.240 178.842 176.519 0.138 0.000 1.212 1286 W CA 0.970 58.376 57.345 0.103 0.000 1.260 1286 W CB -0.405 29.098 29.460 0.072 0.000 1.131 1286 W HN 0.132 nan 8.180 nan 0.000 0.530 1287 V N 0.611 120.737 119.914 0.353 0.000 2.252 1287 V HA -0.390 3.729 4.120 -0.003 0.000 0.249 1287 V C 1.852 178.107 176.094 0.268 0.000 1.056 1287 V CA 2.427 64.908 62.300 0.301 0.000 1.022 1287 V CB -1.147 30.829 31.823 0.255 0.000 0.641 1287 V HN 0.257 nan 8.190 nan 0.000 0.445 1288 N N -0.728 118.104 118.700 0.220 0.000 2.309 1288 N HA -0.080 4.658 4.740 -0.003 0.000 0.182 1288 N C 1.669 177.293 175.510 0.191 0.000 1.018 1288 N CA 1.221 54.388 53.050 0.195 0.000 0.876 1288 N CB -0.124 38.453 38.487 0.151 0.000 0.972 1288 N HN 0.465 nan 8.380 nan 0.000 0.434 1289 M N -0.996 118.723 119.600 0.199 0.000 2.476 1289 M HA 0.103 4.582 4.480 -0.003 0.000 0.262 1289 M C 1.129 177.580 176.300 0.252 0.000 1.111 1289 M CA 0.652 56.071 55.300 0.199 0.000 1.127 1289 M CB 0.359 33.052 32.600 0.156 0.000 1.376 1289 M HN 0.129 nan 8.290 nan 0.000 0.465 1290 L N -1.206 120.194 121.223 0.295 0.000 2.537 1290 L HA 0.146 4.484 4.340 -0.003 0.000 0.224 1290 L C 1.700 178.644 176.870 0.122 0.000 1.065 1290 L CA 0.259 55.258 54.840 0.264 0.000 0.860 1290 L CB 0.295 42.610 42.059 0.427 0.000 1.086 1290 L HN 0.257 nan 8.230 nan 0.000 0.482 1291 L N -1.632 119.678 121.223 0.144 0.000 2.638 1291 L HA 0.188 4.526 4.340 -0.003 0.000 0.195 1291 L C 1.957 178.890 176.870 0.106 0.000 1.065 1291 L CA 0.240 55.103 54.840 0.038 0.000 0.859 1291 L CB 0.290 42.392 42.059 0.072 0.000 1.269 1291 L HN 0.013 nan 8.230 nan 0.000 0.484 1292 I N -1.338 119.350 120.570 0.196 0.000 2.810 1292 I HA 0.001 4.170 4.170 -0.003 0.000 0.262 1292 I C 1.371 177.709 176.117 0.367 0.000 1.131 1292 I CA 0.449 61.898 61.300 0.247 0.000 1.453 1292 I CB 0.349 38.491 38.000 0.237 0.000 1.161 1292 I HN 0.265 nan 8.210 nan 0.000 0.444 1293 S N 1.255 117.127 115.700 0.286 0.000 3.586 1293 S HA -0.144 4.325 4.470 -0.003 0.000 0.309 1293 S C 0.655 175.379 174.600 0.206 0.000 1.195 1293 S CA 0.505 58.832 58.200 0.212 0.000 0.895 1293 S CB -1.298 61.984 63.200 0.136 0.000 0.983 1293 S HN 0.684 nan 8.310 nan 0.000 0.563 1294 S N 0.116 115.974 115.700 0.263 0.000 2.617 1294 S HA 0.687 5.155 4.470 -0.003 0.000 0.269 1294 S C 0.609 175.277 174.600 0.114 0.000 1.292 1294 S CA 0.224 58.569 58.200 0.242 0.000 1.010 1294 S CB 1.823 65.196 63.200 0.289 0.000 0.944 1294 S HN 0.456 nan 8.310 nan 0.000 0.536 1295 S N 1.489 117.213 115.700 0.040 0.000 2.651 1295 S HA 0.394 4.862 4.470 -0.003 0.000 0.246 1295 S C 0.898 175.483 174.600 -0.025 0.000 1.039 1295 S CA -0.434 57.721 58.200 -0.075 0.000 1.013 1295 S CB -0.030 62.989 63.200 -0.303 0.000 0.861 1295 S HN 0.966 nan 8.310 nan 0.000 0.485 1296 G N 2.663 111.497 108.800 0.057 0.000 2.489 1296 G HA2 0.452 4.411 3.960 -0.003 0.000 0.271 1296 G HA3 0.452 4.411 3.960 -0.003 0.000 0.271 1296 G C -2.845 172.086 174.900 0.050 0.000 1.427 1296 G CA -1.239 43.907 45.100 0.076 0.000 1.057 1296 G HN 0.184 nan 8.290 nan 0.000 0.532 1297 P HA 0.337 nan 4.420 nan 0.000 0.274 1297 P C -0.651 176.678 177.300 0.048 0.000 1.237 1297 P CA -0.223 62.901 63.100 0.041 0.000 0.793 1297 P CB 1.258 32.983 31.700 0.042 0.000 0.977 1298 I N 0.635 121.226 120.570 0.034 0.000 2.796 1298 I HA 0.241 4.409 4.170 -0.003 0.000 0.277 1298 I C -1.045 175.089 176.117 0.029 0.000 1.331 1298 I CA -0.531 60.794 61.300 0.041 0.000 0.983 1298 I CB 0.096 38.118 38.000 0.038 0.000 1.410 1298 I HN 0.068 nan 8.210 nan 0.000 0.561 1299 K N 4.027 124.446 120.400 0.031 0.000 2.281 1299 K HA 0.561 4.880 4.320 -0.003 0.000 0.272 1299 K C -0.490 176.126 176.600 0.026 0.000 1.048 1299 K CA -0.428 55.870 56.287 0.019 0.000 0.898 1299 K CB 1.163 33.670 32.500 0.012 0.000 1.128 1299 K HN 0.336 nan 8.250 nan 0.000 0.460 1300 T N 4.975 119.541 114.554 0.019 0.000 2.756 1300 T HA 0.309 4.658 4.350 -0.003 0.000 0.290 1300 T C -2.361 172.339 174.700 -0.001 0.000 0.985 1300 T CA -1.667 60.448 62.100 0.025 0.000 0.955 1300 T CB 1.011 69.907 68.868 0.047 0.000 0.930 1300 T HN 0.301 nan 8.240 nan 0.000 0.451 1301 P HA 0.438 nan 4.420 nan 0.000 0.286 1301 P C -1.043 176.230 177.300 -0.046 0.000 1.269 1301 P CA -0.601 62.480 63.100 -0.033 0.000 0.787 1301 P CB 0.822 32.498 31.700 -0.041 0.000 0.920 1302 V N 2.916 122.809 119.914 -0.035 0.000 2.311 1302 V HA 0.492 4.610 4.120 -0.003 0.000 0.275 1302 V C 1.161 177.238 176.094 -0.027 0.000 1.022 1302 V CA 0.004 62.283 62.300 -0.034 0.000 0.830 1302 V CB 0.902 32.712 31.823 -0.021 0.000 1.012 1302 V HN 0.847 nan 8.190 nan 0.000 0.452 1303 G N 2.590 111.371 108.800 -0.031 0.000 3.596 1303 G HA2 0.547 4.506 3.960 -0.003 0.000 0.274 1303 G HA3 0.547 4.506 3.960 -0.003 0.000 0.274 1303 G C 0.734 175.646 174.900 0.020 0.000 1.007 1303 G CA 0.860 45.951 45.100 -0.016 0.000 0.825 1303 G HN 1.188 nan 8.290 nan 0.000 0.508 1304 A N -0.373 122.461 122.820 0.024 0.000 5.382 1304 A HA -0.345 3.974 4.320 -0.003 0.000 0.307 1304 A C 1.934 179.576 177.584 0.096 0.000 1.937 1304 A CA 1.449 53.526 52.037 0.066 0.000 0.715 1304 A CB -1.620 17.472 19.000 0.153 0.000 1.293 1304 A HN 0.890 nan 8.150 nan 0.000 0.374 1305 C N 0.522 119.950 119.300 0.213 0.000 2.503 1305 C HA 0.436 4.895 4.460 -0.003 0.000 0.285 1305 C C 1.948 177.059 174.990 0.201 0.000 1.473 1305 C CA 1.062 60.248 59.018 0.279 0.000 1.708 1305 C CB -1.875 26.156 27.740 0.486 0.000 1.638 1305 C HN 1.716 nan 8.230 nan 0.000 0.585 1306 A N -0.159 122.702 122.820 0.069 0.000 2.569 1306 A HA 0.226 4.544 4.320 -0.003 0.000 0.284 1306 A C 1.656 179.214 177.584 -0.043 0.000 0.948 1306 A CA 0.663 52.684 52.037 -0.026 0.000 1.007 1306 A CB -0.573 18.359 19.000 -0.115 0.000 1.232 1306 A HN 0.448 nan 8.150 nan 0.000 0.530 1307 T N -2.580 111.953 114.554 -0.035 0.000 2.929 1307 T HA -0.107 4.242 4.350 -0.003 0.000 0.271 1307 T C 1.822 176.478 174.700 -0.073 0.000 1.085 1307 T CA 2.339 64.400 62.100 -0.065 0.000 1.125 1307 T CB -0.237 68.573 68.868 -0.098 0.000 0.874 1307 T HN 0.195 nan 8.240 nan 0.000 0.494 1308 S N -0.427 115.235 115.700 -0.062 0.000 2.406 1308 S HA 0.060 4.528 4.470 -0.003 0.000 0.228 1308 S C 1.893 176.470 174.600 -0.039 0.000 1.020 1308 S CA 0.808 58.977 58.200 -0.051 0.000 0.965 1308 S CB -0.323 62.853 63.200 -0.040 0.000 0.798 1308 S HN 0.452 nan 8.310 nan 0.000 0.488 1309 V N 1.469 121.352 119.914 -0.053 0.000 2.379 1309 V HA -0.048 4.070 4.120 -0.003 0.000 0.243 1309 V C 2.360 178.415 176.094 -0.064 0.000 1.035 1309 V CA 1.776 64.038 62.300 -0.063 0.000 1.035 1309 V CB -0.577 31.189 31.823 -0.096 0.000 0.673 1309 V HN 0.610 nan 8.190 nan 0.000 0.457 1310 E N 0.276 120.433 120.200 -0.072 0.000 2.171 1310 E HA -0.298 4.050 4.350 -0.003 0.000 0.197 1310 E C 2.245 178.818 176.600 -0.045 0.000 0.997 1310 E CA 1.798 58.161 56.400 -0.063 0.000 0.810 1310 E CB -0.286 29.377 29.700 -0.063 0.000 0.738 1310 E HN 0.521 nan 8.360 nan 0.000 0.467 1311 S N -0.603 115.073 115.700 -0.041 0.000 2.368 1311 S HA -0.112 4.356 4.470 -0.003 0.000 0.225 1311 S C 1.991 176.584 174.600 -0.011 0.000 1.030 1311 S CA 1.240 59.426 58.200 -0.023 0.000 0.999 1311 S CB -0.206 62.981 63.200 -0.021 0.000 0.844 1311 S HN 0.279 nan 8.310 nan 0.000 0.459 1312 V N 2.320 122.223 119.914 -0.018 0.000 2.358 1312 V HA -0.124 3.994 4.120 -0.003 0.000 0.246 1312 V C 2.516 178.600 176.094 -0.017 0.000 1.047 1312 V CA 2.100 64.392 62.300 -0.013 0.000 1.035 1312 V CB -0.819 30.991 31.823 -0.022 0.000 0.658 1312 V HN 0.585 nan 8.190 nan 0.000 0.452 1313 D N 0.619 121.001 120.400 -0.029 0.000 2.108 1313 D HA -0.212 4.427 4.640 -0.003 0.000 0.190 1313 D C 2.026 178.315 176.300 -0.019 0.000 0.995 1313 D CA 2.068 56.050 54.000 -0.030 0.000 0.834 1313 D CB -0.278 40.496 40.800 -0.043 0.000 0.967 1313 D HN 0.410 nan 8.370 nan 0.000 0.446 1314 I N 0.726 121.285 120.570 -0.018 0.000 2.185 1314 I HA -0.259 3.909 4.170 -0.003 0.000 0.246 1314 I C 2.579 178.698 176.117 0.002 0.000 1.088 1314 I CA 1.533 62.828 61.300 -0.009 0.000 1.347 1314 I CB -0.586 37.410 38.000 -0.008 0.000 1.041 1314 I HN 0.135 nan 8.210 nan 0.000 0.415 1315 G N 0.337 109.141 108.800 0.007 0.000 2.453 1315 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.215 1315 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.215 1315 G C 1.704 176.613 174.900 0.016 0.000 1.201 1315 G CA 0.932 46.043 45.100 0.018 0.000 0.784 1315 G HN 0.232 nan 8.290 nan 0.000 0.545 1316 V N 0.901 120.820 119.914 0.008 0.000 2.278 1316 V HA -0.213 3.905 4.120 -0.003 0.000 0.251 1316 V C 2.927 179.024 176.094 0.006 0.000 1.062 1316 V CA 2.346 64.650 62.300 0.007 0.000 1.038 1316 V CB -0.371 31.452 31.823 0.001 0.000 0.646 1316 V HN 0.304 nan 8.190 nan 0.000 0.447 1317 E N -0.108 120.092 120.200 -0.001 0.000 2.106 1317 E HA -0.145 4.203 4.350 -0.003 0.000 0.192 1317 E C 2.338 178.940 176.600 0.002 0.000 0.984 1317 E CA 1.726 58.123 56.400 -0.005 0.000 0.806 1317 E CB -0.719 28.973 29.700 -0.012 0.000 0.750 1317 E HN 0.644 nan 8.360 nan 0.000 0.458 1318 T N 1.359 115.919 114.554 0.010 0.000 2.881 1318 T HA -0.030 4.318 4.350 -0.003 0.000 0.270 1318 T C 2.005 176.721 174.700 0.026 0.000 1.068 1318 T CA 0.736 62.847 62.100 0.019 0.000 1.131 1318 T CB -0.052 68.832 68.868 0.027 0.000 0.871 1318 T HN 0.139 nan 8.240 nan 0.000 0.479 1319 I N 0.300 120.887 120.570 0.027 0.000 2.584 1319 I HA 0.061 4.230 4.170 -0.003 0.000 0.255 1319 I C 1.851 177.983 176.117 0.025 0.000 1.145 1319 I CA 0.851 62.171 61.300 0.033 0.000 1.462 1319 I CB -0.227 37.794 38.000 0.035 0.000 1.102 1319 I HN 0.179 nan 8.210 nan 0.000 0.433 1320 L N 0.633 121.864 121.223 0.013 0.000 2.610 1320 L HA -0.027 4.312 4.340 -0.003 0.000 0.232 1320 L C 2.052 178.920 176.870 -0.003 0.000 1.149 1320 L CA 0.647 55.488 54.840 0.003 0.000 0.872 1320 L CB -0.249 41.805 42.059 -0.007 0.000 0.992 1320 L HN 0.322 nan 8.230 nan 0.000 0.447 1321 S N -2.238 113.464 115.700 0.003 0.000 2.539 1321 S HA 0.249 4.717 4.470 -0.003 0.000 0.221 1321 S C 1.441 176.046 174.600 0.009 0.000 0.987 1321 S CA 0.312 58.513 58.200 0.000 0.000 0.929 1321 S CB 0.958 64.158 63.200 -0.001 0.000 0.832 1321 S HN 0.425 nan 8.310 nan 0.000 0.492 1322 G N 2.015 110.826 108.800 0.020 0.000 2.176 1322 G HA2 -0.316 3.643 3.960 -0.003 0.000 0.253 1322 G HA3 -0.316 3.643 3.960 -0.003 0.000 0.253 1322 G C 0.830 175.754 174.900 0.041 0.000 0.979 1322 G CA 0.522 45.640 45.100 0.030 0.000 0.641 1322 G HN 0.531 nan 8.290 nan 0.000 0.530 1323 K N 0.214 120.636 120.400 0.036 0.000 2.217 1323 K HA 0.432 4.750 4.320 -0.003 0.000 0.202 1323 K C 1.185 177.824 176.600 0.064 0.000 1.051 1323 K CA 1.206 57.519 56.287 0.043 0.000 0.952 1323 K CB 0.101 32.619 32.500 0.030 0.000 0.736 1323 K HN 0.856 nan 8.250 nan 0.000 0.453 1324 A N 0.149 123.009 122.820 0.067 0.000 2.572 1324 A HA 0.498 4.816 4.320 -0.003 0.000 0.295 1324 A C -0.195 177.440 177.584 0.085 0.000 1.072 1324 A CA -0.752 51.338 52.037 0.088 0.000 0.691 1324 A CB 1.510 20.561 19.000 0.086 0.000 1.291 1324 A HN 0.040 nan 8.150 nan 0.000 0.404 1325 R N -0.107 120.455 120.500 0.103 0.000 2.316 1325 R HA 0.389 4.727 4.340 -0.003 0.000 0.201 1325 R C -0.510 175.841 176.300 0.085 0.000 0.888 1325 R CA 0.603 56.758 56.100 0.092 0.000 1.041 1325 R CB 0.461 30.826 30.300 0.109 0.000 1.115 1325 R HN 0.683 nan 8.270 nan 0.000 0.559 1326 I N 0.872 121.502 120.570 0.101 0.000 2.533 1326 I HA 0.299 4.467 4.170 -0.003 0.000 0.290 1326 I C -0.469 175.707 176.117 0.098 0.000 1.056 1326 I CA -1.060 60.294 61.300 0.090 0.000 1.057 1326 I CB 2.305 40.370 38.000 0.109 0.000 1.240 1326 I HN 0.068 nan 8.210 nan 0.000 0.423 1327 C N 5.511 124.855 119.300 0.074 0.000 3.173 1327 C HA 0.645 5.103 4.460 -0.003 0.000 0.310 1327 C C -0.787 174.237 174.990 0.057 0.000 1.306 1327 C CA -0.848 58.220 59.018 0.083 0.000 1.426 1327 C CB 1.217 29.007 27.740 0.083 0.000 1.800 1327 C HN 0.697 nan 8.230 nan 0.000 0.470 1328 I N 2.880 123.498 120.570 0.079 0.000 2.371 1328 I HA 0.557 4.725 4.170 -0.003 0.000 0.290 1328 I C -0.127 176.040 176.117 0.082 0.000 1.028 1328 I CA -0.175 61.164 61.300 0.065 0.000 1.345 1328 I CB 1.242 39.312 38.000 0.117 0.000 1.407 1328 I HN 0.547 nan 8.210 nan 0.000 0.501 1329 V N 4.678 124.633 119.914 0.068 0.000 2.914 1329 V HA 0.978 5.096 4.120 -0.003 0.000 0.314 1329 V C 0.332 176.483 176.094 0.096 0.000 1.084 1329 V CA -0.219 62.123 62.300 0.070 0.000 0.963 1329 V CB 1.920 33.767 31.823 0.039 0.000 1.025 1329 V HN 1.090 nan 8.190 nan 0.000 0.432 1330 G N 1.596 110.450 108.800 0.091 0.000 2.352 1330 G HA2 0.565 4.524 3.960 -0.003 0.000 0.283 1330 G HA3 0.565 4.524 3.960 -0.003 0.000 0.283 1330 G C -0.648 174.280 174.900 0.046 0.000 1.308 1330 G CA 0.126 45.290 45.100 0.108 0.000 0.892 1330 G HN 1.326 nan 8.290 nan 0.000 0.504 1331 G N -1.482 107.349 108.800 0.051 0.000 2.690 1331 G HA2 0.971 4.930 3.960 -0.003 0.000 0.293 1331 G HA3 0.971 4.930 3.960 -0.003 0.000 0.293 1331 G C -1.425 173.474 174.900 -0.002 0.000 1.399 1331 G CA -0.019 44.989 45.100 -0.154 0.000 0.890 1331 G HN 1.811 nan 8.290 nan 0.000 0.485 1332 Y N -1.314 119.010 120.300 0.040 0.000 2.592 1332 Y HA 0.819 5.368 4.550 -0.003 0.000 0.334 1332 Y C -1.311 174.633 175.900 0.074 0.000 1.136 1332 Y CA -1.450 56.695 58.100 0.076 0.000 1.042 1332 Y CB 2.070 40.626 38.460 0.160 0.000 1.325 1332 Y HN 0.514 nan 8.280 nan 0.000 0.457 1333 D N 0.387 120.953 120.400 0.277 0.000 2.683 1333 D HA 0.268 4.906 4.640 -0.003 0.000 0.246 1333 D C -1.980 174.490 176.300 0.283 0.000 1.238 1333 D CA -0.325 53.801 54.000 0.210 0.000 0.759 1333 D CB 2.990 43.833 40.800 0.072 0.000 1.349 1333 D HN 0.674 nan 8.370 nan 0.000 0.426 1334 D N -0.292 120.270 120.400 0.269 0.000 2.414 1334 D HA 0.548 5.186 4.640 -0.003 0.000 0.241 1334 D C -1.288 175.198 176.300 0.310 0.000 1.008 1334 D CA -0.490 53.727 54.000 0.362 0.000 1.001 1334 D CB 1.449 42.438 40.800 0.315 0.000 1.277 1334 D HN 0.171 nan 8.370 nan 0.000 0.538 1335 F N 1.851 121.928 119.950 0.213 0.000 2.427 1335 F HA 0.441 4.966 4.527 -0.003 0.000 0.348 1335 F C -0.675 175.099 175.800 -0.042 0.000 1.125 1335 F CA -0.301 57.740 58.000 0.068 0.000 0.989 1335 F CB 0.882 39.898 39.000 0.027 0.000 1.165 1335 F HN 0.063 nan 8.300 nan 0.000 0.442 1336 Q N 3.777 123.156 119.800 -0.703 0.000 2.605 1336 Q HA 0.153 4.491 4.340 -0.003 0.000 0.296 1336 Q C 0.623 176.056 176.000 -0.945 0.000 1.056 1336 Q CA -0.587 54.862 55.803 -0.590 0.000 0.778 1336 Q CB 1.700 30.308 28.738 -0.217 0.000 1.497 1336 Q HN 0.867 nan 8.270 nan 0.000 0.443 1337 E N 0.736 120.451 120.200 -0.809 0.000 2.051 1337 E HA -0.202 4.147 4.350 -0.003 0.000 0.192 1337 E C 0.992 177.148 176.600 -0.740 0.000 0.991 1337 E CA 1.685 57.367 56.400 -1.197 0.000 0.799 1337 E CB 0.352 29.553 29.700 -0.831 0.000 0.748 1337 E HN 0.541 nan 8.360 nan 0.000 0.449 1338 E N -0.031 119.893 120.200 -0.460 0.000 2.152 1338 E HA -0.087 4.262 4.350 -0.003 0.000 0.192 1338 E C 2.191 178.629 176.600 -0.270 0.000 0.983 1338 E CA 0.897 57.118 56.400 -0.298 0.000 0.818 1338 E CB -0.499 29.056 29.700 -0.240 0.000 0.758 1338 E HN 0.374 nan 8.360 nan 0.000 0.467 1339 G N 1.838 110.438 108.800 -0.332 0.000 2.514 1339 G HA2 -0.362 3.597 3.960 -0.003 0.000 0.217 1339 G HA3 -0.362 3.597 3.960 -0.003 0.000 0.217 1339 G C 1.779 176.578 174.900 -0.169 0.000 1.198 1339 G CA 1.414 46.339 45.100 -0.292 0.000 0.780 1339 G HN 0.394 nan 8.290 nan 0.000 0.565 1340 S N -0.530 115.035 115.700 -0.226 0.000 2.399 1340 S HA -0.100 4.369 4.470 -0.003 0.000 0.231 1340 S C 2.040 176.819 174.600 0.298 0.000 1.022 1340 S CA 1.391 59.652 58.200 0.101 0.000 0.983 1340 S CB -0.378 62.871 63.200 0.083 0.000 0.803 1340 S HN 0.332 nan 8.310 nan 0.000 0.480 1341 F N 2.103 121.978 119.950 -0.125 0.000 2.113 1341 F HA 0.070 4.595 4.527 -0.003 0.000 0.297 1341 F C 2.237 177.940 175.800 -0.162 0.000 1.103 1341 F CA 1.789 59.558 58.000 -0.386 0.000 1.248 1341 F CB -0.514 38.099 39.000 -0.645 0.000 0.999 1341 F HN 0.176 nan 8.300 nan 0.000 0.475 1342 E N -0.480 119.591 120.200 -0.215 0.000 2.152 1342 E HA -0.116 4.232 4.350 -0.003 0.000 0.192 1342 E C 2.032 178.506 176.600 -0.209 0.000 0.983 1342 E CA 0.986 57.202 56.400 -0.306 0.000 0.818 1342 E CB -0.485 29.019 29.700 -0.326 0.000 0.758 1342 E HN 0.368 nan 8.360 nan 0.000 0.467 1343 F N -0.295 119.622 119.950 -0.056 0.000 2.186 1343 F HA 0.038 4.563 4.527 -0.003 0.000 0.299 1343 F C 2.279 178.076 175.800 -0.005 0.000 1.090 1343 F CA 1.329 59.335 58.000 0.011 0.000 1.307 1343 F CB -0.884 38.143 39.000 0.044 0.000 1.019 1343 F HN 0.140 nan 8.300 nan 0.000 0.489 1344 G N -0.496 108.434 108.800 0.217 0.000 2.422 1344 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.218 1344 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.218 1344 G C 1.616 176.528 174.900 0.019 0.000 1.140 1344 G CA 0.777 45.977 45.100 0.167 0.000 0.775 1344 G HN 0.238 nan 8.290 nan 0.000 0.545 1345 N N 0.269 118.885 118.700 -0.141 0.000 2.331 1345 N HA 0.038 4.776 4.740 -0.003 0.000 0.180 1345 N C 2.049 177.525 175.510 -0.057 0.000 1.019 1345 N CA 0.557 53.495 53.050 -0.187 0.000 0.881 1345 N CB -0.167 38.114 38.487 -0.342 0.000 0.972 1345 N HN 0.313 nan 8.380 nan 0.000 0.435 1346 M N 0.114 119.727 119.600 0.021 0.000 2.561 1346 M HA 0.093 4.571 4.480 -0.003 0.000 0.238 1346 M C 0.465 176.831 176.300 0.110 0.000 1.131 1346 M CA 0.247 55.605 55.300 0.098 0.000 1.046 1346 M CB 0.197 32.926 32.600 0.216 0.000 1.532 1346 M HN -0.056 nan 8.290 nan 0.000 0.497 1347 K N 0.206 120.648 120.400 0.071 0.000 3.160 1347 K HA -0.226 4.092 4.320 -0.003 0.000 0.280 1347 K C 0.352 176.988 176.600 0.059 0.000 1.154 1347 K CA 0.716 57.031 56.287 0.045 0.000 0.822 1347 K CB -1.303 31.215 32.500 0.030 0.000 1.239 1347 K HN 0.497 nan 8.250 nan 0.000 0.489 1348 A N -0.073 122.815 122.820 0.113 0.000 1.903 1348 A HA 0.026 4.345 4.320 -0.003 0.000 0.213 1348 A C 0.991 178.499 177.584 -0.128 0.000 1.185 1348 A CA 1.522 53.651 52.037 0.153 0.000 0.628 1348 A CB -0.173 19.101 19.000 0.457 0.000 0.830 1348 A HN 0.676 nan 8.150 nan 0.000 0.446 1349 T N -0.587 113.756 114.554 -0.352 0.000 2.874 1349 T HA 0.468 4.816 4.350 -0.003 0.000 0.281 1349 T C 0.343 174.860 174.700 -0.304 0.000 0.994 1349 T CA 0.057 61.778 62.100 -0.631 0.000 1.015 1349 T CB 1.082 69.583 68.868 -0.612 0.000 1.028 1349 T HN 0.567 nan 8.240 nan 0.000 0.523 1350 S N 1.784 117.320 115.700 -0.274 0.000 2.549 1350 S HA 0.144 4.612 4.470 -0.003 0.000 0.279 1350 S C 0.183 174.664 174.600 -0.197 0.000 1.321 1350 S CA -0.950 57.142 58.200 -0.181 0.000 1.054 1350 S CB 0.072 63.188 63.200 -0.139 0.000 0.899 1350 S HN 0.780 nan 8.310 nan 0.000 0.497 1351 N N 2.591 121.188 118.700 -0.173 0.000 2.405 1351 N HA 0.090 4.828 4.740 -0.003 0.000 0.260 1351 N C 0.767 176.134 175.510 -0.238 0.000 1.152 1351 N CA 0.023 52.959 53.050 -0.191 0.000 0.948 1351 N CB 0.703 39.113 38.487 -0.128 0.000 1.111 1351 N HN 0.732 nan 8.380 nan 0.000 0.485 1352 T N 4.243 118.601 114.554 -0.327 0.000 2.867 1352 T HA -0.020 4.329 4.350 -0.003 0.000 0.268 1352 T C 1.938 176.275 174.700 -0.604 0.000 1.057 1352 T CA 0.605 62.392 62.100 -0.522 0.000 1.136 1352 T CB 0.134 68.667 68.868 -0.558 0.000 0.874 1352 T HN 0.466 nan 8.240 nan 0.000 0.466 1353 L N 0.709 121.742 121.223 -0.317 0.000 2.046 1353 L HA -0.096 4.242 4.340 -0.003 0.000 0.208 1353 L C 2.697 179.541 176.870 -0.044 0.000 1.077 1353 L CA 1.552 56.315 54.840 -0.129 0.000 0.747 1353 L CB -0.519 41.509 42.059 -0.051 0.000 0.896 1353 L HN 0.370 nan 8.230 nan 0.000 0.432 1354 E N -0.488 119.679 120.200 -0.056 0.000 2.107 1354 E HA -0.181 4.168 4.350 -0.003 0.000 0.191 1354 E C 2.091 178.772 176.600 0.136 0.000 0.982 1354 E CA 0.602 57.034 56.400 0.052 0.000 0.809 1354 E CB 0.148 29.862 29.700 0.023 0.000 0.756 1354 E HN 0.387 nan 8.360 nan 0.000 0.459 1355 E N 0.284 120.464 120.200 -0.035 0.000 2.077 1355 E HA -0.158 4.190 4.350 -0.003 0.000 0.193 1355 E C 1.921 178.622 176.600 0.168 0.000 0.989 1355 E CA 0.824 57.219 56.400 -0.007 0.000 0.800 1355 E CB -0.187 29.421 29.700 -0.153 0.000 0.746 1355 E HN 0.228 nan 8.360 nan 0.000 0.452 1356 F N 1.475 121.453 119.950 0.047 0.000 2.134 1356 F HA -0.113 4.412 4.527 -0.003 0.000 0.299 1356 F C 2.359 178.165 175.800 0.010 0.000 1.097 1356 F CA 0.757 58.773 58.000 0.028 0.000 1.264 1356 F CB -0.829 38.172 39.000 0.003 0.000 1.001 1356 F HN 0.118 nan 8.300 nan 0.000 0.479 1357 E N -0.898 119.416 120.200 0.191 0.000 2.333 1357 E HA -0.217 4.132 4.350 -0.003 0.000 0.198 1357 E C 1.070 177.579 176.600 -0.151 0.000 1.007 1357 E CA 0.976 57.373 56.400 -0.005 0.000 0.845 1357 E CB -0.114 29.556 29.700 -0.051 0.000 0.766 1357 E HN 0.501 nan 8.360 nan 0.000 0.507 1358 H N -1.874 117.197 119.070 0.002 0.000 2.586 1358 H HA 0.235 4.790 4.556 -0.003 0.000 0.273 1358 H C 0.747 176.092 175.328 0.028 0.000 0.997 1358 H CA 0.595 56.628 56.048 -0.025 0.000 1.177 1358 H CB 1.347 31.102 29.762 -0.012 0.000 1.471 1358 H HN 0.248 nan 8.280 nan 0.000 0.538 1359 G N 1.110 110.006 108.800 0.161 0.000 2.165 1359 G HA2 -0.254 3.705 3.960 -0.003 0.000 0.226 1359 G HA3 -0.254 3.705 3.960 -0.003 0.000 0.226 1359 G C -0.211 174.883 174.900 0.323 0.000 1.035 1359 G CA -0.578 44.672 45.100 0.250 0.000 0.744 1359 G HN 0.145 nan 8.290 nan 0.000 0.501 1360 R N 1.307 121.977 120.500 0.283 0.000 2.255 1360 R HA 0.458 4.796 4.340 -0.003 0.000 0.326 1360 R C 0.851 177.320 176.300 0.283 0.000 0.986 1360 R CA 0.240 56.486 56.100 0.242 0.000 0.847 1360 R CB 0.850 31.255 30.300 0.175 0.000 1.111 1360 R HN 0.477 nan 8.270 nan 0.000 0.452 1361 T N 0.656 115.335 114.554 0.207 0.000 2.899 1361 T HA 0.156 4.505 4.350 -0.003 0.000 0.295 1361 T C -1.680 173.142 174.700 0.203 0.000 1.033 1361 T CA -1.494 60.724 62.100 0.196 0.000 1.084 1361 T CB 0.915 69.859 68.868 0.127 0.000 0.979 1361 T HN 0.181 nan 8.240 nan 0.000 0.532 1362 P HA -0.105 nan 4.420 nan 0.000 0.216 1362 P C 1.473 178.847 177.300 0.123 0.000 1.154 1362 P CA 1.446 64.639 63.100 0.154 0.000 0.865 1362 P CB -0.299 31.482 31.700 0.136 0.000 0.789 1363 A N -0.835 122.067 122.820 0.136 0.000 2.248 1363 A HA -0.144 4.174 4.320 -0.003 0.000 0.210 1363 A C 1.858 179.543 177.584 0.169 0.000 1.174 1363 A CA 1.167 53.300 52.037 0.159 0.000 0.750 1363 A CB -1.018 18.086 19.000 0.172 0.000 0.780 1363 A HN 0.231 nan 8.150 nan 0.000 0.478 1364 E N -1.215 119.072 120.200 0.145 0.000 2.641 1364 E HA 0.221 4.570 4.350 -0.003 0.000 0.224 1364 E C 1.077 177.742 176.600 0.108 0.000 0.951 1364 E CA -0.111 56.370 56.400 0.135 0.000 1.102 1364 E CB 0.159 29.931 29.700 0.120 0.000 1.091 1364 E HN 0.645 nan 8.360 nan 0.000 0.507 1365 M N 0.010 119.667 119.600 0.095 0.000 2.495 1365 M HA 0.153 4.631 4.480 -0.003 0.000 0.237 1365 M C 0.816 177.150 176.300 0.057 0.000 1.131 1365 M CA 0.305 55.633 55.300 0.048 0.000 1.032 1365 M CB 0.747 33.350 32.600 0.006 0.000 1.513 1365 M HN -0.138 nan 8.290 nan 0.000 0.488 1366 S N 2.025 117.791 115.700 0.111 0.000 2.577 1366 S HA 0.481 4.950 4.470 -0.003 0.000 0.294 1366 S C -0.516 174.183 174.600 0.165 0.000 1.161 1366 S CA -0.753 57.532 58.200 0.142 0.000 1.143 1366 S CB 0.194 63.505 63.200 0.185 0.000 0.991 1366 S HN 0.441 nan 8.310 nan 0.000 0.475 1367 R N 3.871 124.419 120.500 0.080 0.000 2.629 1367 R HA 0.354 4.692 4.340 -0.003 0.000 0.275 1367 R C -3.159 173.095 176.300 -0.077 0.000 1.719 1367 R CA -1.735 54.375 56.100 0.016 0.000 1.472 1367 R CB 0.939 31.230 30.300 -0.014 0.000 1.237 1367 R HN 0.317 nan 8.270 nan 0.000 0.589 1368 P HA 0.042 nan 4.420 nan 0.000 0.271 1368 P C 0.372 177.350 177.300 -0.537 0.000 1.218 1368 P CA 0.331 63.275 63.100 -0.260 0.000 0.780 1368 P CB 1.232 32.822 31.700 -0.184 0.000 0.901 1369 A N 0.865 123.401 122.820 -0.472 0.000 3.413 1369 A HA -0.196 4.123 4.320 -0.003 0.000 0.268 1369 A C 0.777 178.115 177.584 -0.411 0.000 1.128 1369 A CA 1.707 53.423 52.037 -0.535 0.000 1.062 1369 A CB -2.901 15.565 19.000 -0.890 0.000 1.121 1369 A HN 0.518 nan 8.150 nan 0.000 0.895 1370 T N 0.257 114.639 114.554 -0.287 0.000 2.899 1370 T HA 0.392 4.740 4.350 -0.003 0.000 0.295 1370 T C 1.593 176.203 174.700 -0.149 0.000 1.033 1370 T CA 0.330 62.315 62.100 -0.192 0.000 1.084 1370 T CB 1.245 70.033 68.868 -0.134 0.000 0.979 1370 T HN 0.418 nan 8.240 nan 0.000 0.532 1371 T N 2.114 116.598 114.554 -0.118 0.000 2.759 1371 T HA -0.103 4.245 4.350 -0.003 0.000 0.269 1371 T C 1.828 176.473 174.700 -0.091 0.000 1.042 1371 T CA 1.724 63.770 62.100 -0.091 0.000 1.140 1371 T CB -0.303 68.519 68.868 -0.077 0.000 0.864 1371 T HN 0.763 nan 8.240 nan 0.000 0.455 1372 T N 1.859 116.352 114.554 -0.103 0.000 3.122 1372 T HA 0.148 4.496 4.350 -0.003 0.000 0.250 1372 T C 0.616 175.248 174.700 -0.114 0.000 1.067 1372 T CA -0.457 61.574 62.100 -0.115 0.000 0.966 1372 T CB -0.212 68.580 68.868 -0.126 0.000 1.002 1372 T HN 0.554 nan 8.240 nan 0.000 0.542 1373 R N 1.760 122.201 120.500 -0.098 0.000 2.566 1373 R HA 0.102 4.440 4.340 -0.003 0.000 0.273 1373 R C 0.225 176.479 176.300 -0.077 0.000 0.981 1373 R CA 0.309 56.361 56.100 -0.081 0.000 1.091 1373 R CB 0.033 30.284 30.300 -0.081 0.000 0.924 1373 R HN 0.051 nan 8.270 nan 0.000 0.411 1374 N N 0.069 118.729 118.700 -0.067 0.000 2.082 1374 N HA 0.186 4.925 4.740 -0.003 0.000 0.228 1374 N C -0.963 174.512 175.510 -0.060 0.000 1.341 1374 N CA 0.615 53.616 53.050 -0.082 0.000 0.873 1374 N CB 1.676 40.087 38.487 -0.126 0.000 1.137 1374 N HN 0.984 nan 8.380 nan 0.000 0.505 1375 G N 0.168 108.955 108.800 -0.023 0.000 2.375 1375 G HA2 0.105 4.063 3.960 -0.003 0.000 0.663 1375 G HA3 0.105 4.063 3.960 -0.003 0.000 0.663 1375 G C -0.799 174.119 174.900 0.029 0.000 1.391 1375 G CA -0.627 44.470 45.100 -0.006 0.000 0.949 1375 G HN 0.286 nan 8.290 nan 0.000 0.646 1376 F N 0.204 120.151 119.950 -0.006 0.000 2.380 1376 F HA 0.874 5.399 4.527 -0.003 0.000 0.325 1376 F C 0.337 176.142 175.800 0.008 0.000 1.136 1376 F CA -1.478 56.529 58.000 0.013 0.000 1.171 1376 F CB 1.181 40.214 39.000 0.055 0.000 1.230 1376 F HN 0.578 nan 8.300 nan 0.000 0.554 1377 M N 2.904 122.668 119.600 0.273 0.000 2.129 1377 M HA 0.297 4.775 4.480 -0.003 0.000 0.348 1377 M C -0.589 175.892 176.300 0.303 0.000 1.116 1377 M CA -0.328 55.057 55.300 0.141 0.000 1.022 1377 M CB 0.775 33.450 32.600 0.124 0.000 1.599 1377 M HN 0.836 nan 8.290 nan 0.000 0.449 1378 E N 3.115 123.400 120.200 0.143 0.000 2.349 1378 E HA 0.672 5.020 4.350 -0.003 0.000 0.265 1378 E C -1.286 175.391 176.600 0.129 0.000 1.064 1378 E CA -0.266 56.280 56.400 0.243 0.000 0.886 1378 E CB 0.858 30.727 29.700 0.282 0.000 1.036 1378 E HN 0.859 nan 8.360 nan 0.000 0.413 1379 A N 2.835 125.748 122.820 0.156 0.000 2.533 1379 A HA 0.499 4.817 4.320 -0.003 0.000 0.293 1379 A C -1.581 176.104 177.584 0.169 0.000 1.228 1379 A CA -0.785 51.322 52.037 0.117 0.000 0.689 1379 A CB 1.535 20.655 19.000 0.201 0.000 1.303 1379 A HN 0.671 nan 8.150 nan 0.000 0.444 1380 Q N -1.150 118.756 119.800 0.177 0.000 2.495 1380 Q HA 0.781 5.119 4.340 -0.003 0.000 0.287 1380 Q C -0.094 175.961 176.000 0.092 0.000 1.078 1380 Q CA -0.645 55.263 55.803 0.175 0.000 0.793 1380 Q CB 2.103 31.005 28.738 0.272 0.000 1.459 1380 Q HN 2.506 nan 8.270 nan 0.000 0.422 1381 G N -0.517 108.268 108.800 -0.026 0.000 2.325 1381 G HA2 0.463 4.422 3.960 -0.003 0.000 0.285 1381 G HA3 0.463 4.422 3.960 -0.003 0.000 0.285 1381 G C -1.771 173.233 174.900 0.174 0.000 1.303 1381 G CA -0.271 44.770 45.100 -0.099 0.000 0.970 1381 G HN 1.287 nan 8.290 nan 0.000 0.490 1382 A N -1.606 121.412 122.820 0.330 0.000 2.609 1382 A HA 1.105 5.424 4.320 -0.003 0.000 0.291 1382 A C -0.153 177.760 177.584 0.548 0.000 1.096 1382 A CA 0.332 52.606 52.037 0.395 0.000 0.684 1382 A CB 1.623 20.872 19.000 0.414 0.000 1.282 1382 A HN 2.597 nan 8.150 nan 0.000 0.412 1383 G N 0.487 109.551 108.800 0.440 0.000 2.684 1383 G HA2 0.627 4.585 3.960 -0.003 0.000 0.289 1383 G HA3 0.627 4.585 3.960 -0.003 0.000 0.289 1383 G C -0.827 174.264 174.900 0.318 0.000 1.416 1383 G CA 0.079 45.458 45.100 0.464 0.000 1.235 1383 G HN 1.597 nan 8.290 nan 0.000 0.576 1384 I N -0.340 120.394 120.570 0.273 0.000 3.002 1384 I HA 0.826 4.995 4.170 -0.003 0.000 0.310 1384 I C -1.120 175.096 176.117 0.165 0.000 1.087 1384 I CA -1.179 60.244 61.300 0.205 0.000 1.017 1384 I CB 2.627 40.745 38.000 0.196 0.000 1.226 1384 I HN 0.532 nan 8.210 nan 0.000 0.443 1385 Q N 4.500 124.364 119.800 0.108 0.000 2.451 1385 Q HA 0.592 4.930 4.340 -0.003 0.000 0.281 1385 Q C -1.455 174.545 176.000 -0.001 0.000 1.099 1385 Q CA -0.905 54.945 55.803 0.077 0.000 0.806 1385 Q CB 2.938 31.717 28.738 0.067 0.000 1.419 1385 Q HN 0.777 nan 8.270 nan 0.000 0.427 1386 I N 2.746 123.284 120.570 -0.052 0.000 2.336 1386 I HA 0.426 4.594 4.170 -0.003 0.000 0.292 1386 I C 0.247 176.346 176.117 -0.032 0.000 0.991 1386 I CA -0.978 60.257 61.300 -0.107 0.000 1.227 1386 I CB 1.086 38.935 38.000 -0.253 0.000 1.366 1386 I HN 0.611 nan 8.210 nan 0.000 0.466 1387 I N 3.945 124.508 120.570 -0.012 0.000 2.797 1387 I HA 0.774 4.943 4.170 -0.003 0.000 0.307 1387 I C -0.763 175.364 176.117 0.017 0.000 1.033 1387 I CA -0.763 60.542 61.300 0.009 0.000 1.071 1387 I CB 2.384 40.391 38.000 0.013 0.000 1.255 1387 I HN 0.635 nan 8.210 nan 0.000 0.445 1388 M N 2.223 121.836 119.600 0.021 0.000 2.682 1388 M HA 0.329 4.808 4.480 -0.003 0.000 0.272 1388 M C -1.563 174.753 176.300 0.027 0.000 1.232 1388 M CA -0.525 54.791 55.300 0.027 0.000 0.849 1388 M CB 2.866 35.478 32.600 0.020 0.000 1.695 1388 M HN 0.711 nan 8.290 nan 0.000 0.481 1389 Q N 0.869 120.689 119.800 0.032 0.000 2.313 1389 Q HA 0.283 4.621 4.340 -0.003 0.000 0.266 1389 Q C 0.843 176.856 176.000 0.021 0.000 0.989 1389 Q CA 0.396 56.218 55.803 0.032 0.000 0.890 1389 Q CB 1.314 30.076 28.738 0.041 0.000 1.200 1389 Q HN 0.800 nan 8.270 nan 0.000 0.396 1390 A N 3.235 126.066 122.820 0.018 0.000 1.948 1390 A HA -0.260 4.059 4.320 -0.003 0.000 0.220 1390 A C 1.559 179.142 177.584 -0.002 0.000 1.177 1390 A CA 2.037 54.073 52.037 -0.001 0.000 0.636 1390 A CB -0.222 18.781 19.000 0.005 0.000 0.815 1390 A HN 0.833 nan 8.150 nan 0.000 0.449 1391 D N -0.552 119.860 120.400 0.019 0.000 2.117 1391 D HA -0.089 4.550 4.640 -0.003 0.000 0.198 1391 D C 1.857 178.177 176.300 0.032 0.000 0.982 1391 D CA 0.811 54.828 54.000 0.028 0.000 0.828 1391 D CB -0.202 40.622 40.800 0.040 0.000 0.967 1391 D HN 0.401 nan 8.370 nan 0.000 0.464 1392 L N -0.041 121.200 121.223 0.031 0.000 2.072 1392 L HA -0.079 4.260 4.340 -0.003 0.000 0.205 1392 L C 2.220 179.080 176.870 -0.016 0.000 1.079 1392 L CA 1.202 56.055 54.840 0.022 0.000 0.752 1392 L CB -0.271 41.806 42.059 0.031 0.000 0.906 1392 L HN -0.016 nan 8.230 nan 0.000 0.436 1393 A N 0.186 123.004 122.820 -0.003 0.000 1.877 1393 A HA -0.219 4.100 4.320 -0.003 0.000 0.216 1393 A C 2.150 179.778 177.584 0.073 0.000 1.186 1393 A CA 1.529 53.574 52.037 0.013 0.000 0.620 1393 A CB -0.773 18.238 19.000 0.018 0.000 0.822 1393 A HN 0.460 nan 8.150 nan 0.000 0.443 1394 L N -0.806 120.430 121.223 0.022 0.000 2.042 1394 L HA -0.231 4.107 4.340 -0.003 0.000 0.210 1394 L C 2.695 179.670 176.870 0.175 0.000 1.076 1394 L CA 2.091 56.951 54.840 0.034 0.000 0.749 1394 L CB -0.414 41.601 42.059 -0.073 0.000 0.893 1394 L HN 0.485 nan 8.230 nan 0.000 0.432 1395 K N 0.075 120.532 120.400 0.094 0.000 2.025 1395 K HA -0.141 4.177 4.320 -0.003 0.000 0.207 1395 K C 2.214 178.863 176.600 0.081 0.000 1.049 1395 K CA 1.226 57.581 56.287 0.113 0.000 0.933 1395 K CB -0.002 32.571 32.500 0.122 0.000 0.714 1395 K HN 0.171 nan 8.250 nan 0.000 0.438 1396 M N -0.460 119.061 119.600 -0.132 0.000 2.159 1396 M HA -0.029 4.450 4.480 -0.003 0.000 0.263 1396 M C 0.850 177.106 176.300 -0.074 0.000 1.063 1396 M CA 1.443 56.495 55.300 -0.413 0.000 1.110 1396 M CB -0.042 32.175 32.600 -0.638 0.000 1.374 1396 M HN 0.484 nan 8.290 nan 0.000 0.411 1397 G N 1.670 110.502 108.800 0.053 0.000 2.370 1397 G HA2 -0.114 3.844 3.960 -0.003 0.000 0.268 1397 G HA3 -0.114 3.844 3.960 -0.003 0.000 0.268 1397 G C -0.186 174.714 174.900 0.000 0.000 1.122 1397 G CA 0.031 45.163 45.100 0.054 0.000 0.963 1397 G HN 0.491 nan 8.290 nan 0.000 0.500 1398 V N -2.826 117.132 119.914 0.074 0.000 3.093 1398 V HA 0.973 5.091 4.120 -0.003 0.000 0.320 1398 V C -1.893 174.208 176.094 0.012 0.000 1.093 1398 V CA -2.822 59.489 62.300 0.018 0.000 1.016 1398 V CB 1.764 33.591 31.823 0.007 0.000 1.096 1398 V HN 0.125 nan 8.190 nan 0.000 0.452 1399 P HA 0.482 nan 4.420 nan 0.000 0.274 1399 P C -0.820 176.359 177.300 -0.202 0.000 1.237 1399 P CA -0.052 62.835 63.100 -0.355 0.000 0.793 1399 P CB 0.434 31.528 31.700 -1.010 0.000 0.977 1400 I N 2.302 122.773 120.570 -0.164 0.000 2.448 1400 I HA 0.212 4.380 4.170 -0.003 0.000 0.281 1400 I C 0.115 176.128 176.117 -0.173 0.000 1.027 1400 I CA -0.374 60.878 61.300 -0.079 0.000 1.111 1400 I CB 1.304 39.309 38.000 0.009 0.000 1.236 1400 I HN 0.399 nan 8.210 nan 0.000 0.452 1401 Y N 4.459 124.738 120.300 -0.035 0.000 2.510 1401 Y HA 0.375 4.924 4.550 -0.003 0.000 0.273 1401 Y C 1.423 177.238 175.900 -0.142 0.000 1.119 1401 Y CA 0.113 58.178 58.100 -0.059 0.000 1.286 1401 Y CB 0.732 39.206 38.460 0.023 0.000 1.061 1401 Y HN 0.605 nan 8.280 nan 0.000 0.542 1402 G N -0.552 108.245 108.800 -0.005 0.000 2.356 1402 G HA2 0.411 4.370 3.960 -0.003 0.000 0.294 1402 G HA3 0.411 4.370 3.960 -0.003 0.000 0.294 1402 G C -1.930 172.918 174.900 -0.085 0.000 1.423 1402 G CA -1.000 44.048 45.100 -0.086 0.000 0.806 1402 G HN -0.091 nan 8.290 nan 0.000 0.527 1403 I N 0.804 121.307 120.570 -0.112 0.000 2.362 1403 I HA 0.335 4.503 4.170 -0.003 0.000 0.289 1403 I C 0.072 176.153 176.117 -0.061 0.000 0.994 1403 I CA -1.051 60.187 61.300 -0.102 0.000 1.158 1403 I CB 2.028 39.902 38.000 -0.210 0.000 1.315 1403 I HN 0.170 nan 8.210 nan 0.000 0.451 1404 V N 6.456 126.354 119.914 -0.026 0.000 2.381 1404 V HA 0.138 4.256 4.120 -0.003 0.000 0.257 1404 V C 1.096 177.203 176.094 0.022 0.000 1.057 1404 V CA 0.134 62.427 62.300 -0.012 0.000 1.013 1404 V CB 0.634 32.452 31.823 -0.008 0.000 1.069 1404 V HN 0.959 nan 8.190 nan 0.000 0.484 1405 A N 5.506 128.343 122.820 0.027 0.000 2.348 1405 A HA 0.630 4.948 4.320 -0.003 0.000 0.224 1405 A C 0.441 178.067 177.584 0.070 0.000 1.227 1405 A CA 0.112 52.205 52.037 0.094 0.000 0.885 1405 A CB 0.170 19.245 19.000 0.125 0.000 0.933 1405 A HN 0.766 nan 8.150 nan 0.000 0.506 1406 M N -1.550 118.064 119.600 0.025 0.000 2.624 1406 M HA 0.513 4.991 4.480 -0.003 0.000 0.286 1406 M C -2.565 173.723 176.300 -0.020 0.000 1.095 1406 M CA -0.220 55.085 55.300 0.007 0.000 0.865 1406 M CB 1.447 34.044 32.600 -0.005 0.000 1.762 1406 M HN 0.498 nan 8.290 nan 0.000 0.527 1407 A N 2.683 125.487 122.820 -0.027 0.000 2.512 1407 A HA 0.939 5.257 4.320 -0.003 0.000 0.294 1407 A C -1.802 175.749 177.584 -0.054 0.000 1.054 1407 A CA 0.095 52.104 52.037 -0.046 0.000 0.756 1407 A CB 1.397 20.373 19.000 -0.039 0.000 1.293 1407 A HN 1.605 nan 8.150 nan 0.000 0.395 1408 A N 1.289 124.063 122.820 -0.077 0.000 2.515 1408 A HA 0.977 5.295 4.320 -0.003 0.000 0.298 1408 A C -0.246 177.272 177.584 -0.110 0.000 1.059 1408 A CA 0.000 51.987 52.037 -0.084 0.000 0.698 1408 A CB 1.443 20.394 19.000 -0.083 0.000 1.289 1408 A HN 1.954 nan 8.150 nan 0.000 0.404 1409 T N -1.025 113.468 114.554 -0.101 0.000 2.863 1409 T HA 0.876 5.225 4.350 -0.003 0.000 0.285 1409 T C -0.419 174.214 174.700 -0.110 0.000 1.009 1409 T CA -0.151 61.878 62.100 -0.118 0.000 0.989 1409 T CB 1.759 70.570 68.868 -0.094 0.000 1.004 1409 T HN 2.149 nan 8.240 nan 0.000 0.455 1410 A N 2.010 124.752 122.820 -0.130 0.000 2.488 1410 A HA 0.709 5.027 4.320 -0.003 0.000 0.295 1410 A C 0.072 177.597 177.584 -0.099 0.000 1.045 1410 A CA -0.925 51.048 52.037 -0.107 0.000 0.703 1410 A CB 1.204 20.138 19.000 -0.109 0.000 1.271 1410 A HN 0.863 nan 8.150 nan 0.000 0.400 1411 T N 1.332 115.846 114.554 -0.067 0.000 2.788 1411 T HA 0.318 4.666 4.350 -0.003 0.000 0.287 1411 T C 0.309 174.985 174.700 -0.039 0.000 1.007 1411 T CA -0.095 61.977 62.100 -0.047 0.000 1.005 1411 T CB 0.552 69.401 68.868 -0.033 0.000 1.012 1411 T HN 0.647 nan 8.240 nan 0.000 0.530 1412 D N 0.612 121.000 120.400 -0.021 0.000 2.525 1412 D HA 0.272 4.911 4.640 -0.003 0.000 0.261 1412 D C 0.679 176.973 176.300 -0.010 0.000 1.379 1412 D CA 0.341 54.335 54.000 -0.010 0.000 1.074 1412 D CB 0.219 41.025 40.800 0.009 0.000 0.939 1412 D HN 0.666 nan 8.370 nan 0.000 0.272 1413 K N -0.983 119.415 120.400 -0.003 0.000 2.499 1413 K HA 0.397 4.715 4.320 -0.003 0.000 0.284 1413 K C -0.800 175.800 176.600 -0.001 0.000 1.039 1413 K CA -0.753 55.531 56.287 -0.004 0.000 0.873 1413 K CB 0.943 33.441 32.500 -0.003 0.000 1.545 1413 K HN -0.103 nan 8.250 nan 0.000 0.402 1414 I N 1.465 122.034 120.570 -0.002 0.000 2.683 1414 I HA 0.233 4.402 4.170 -0.003 0.000 0.286 1414 I C 0.572 176.691 176.117 0.003 0.000 1.175 1414 I CA 0.857 62.157 61.300 0.000 0.000 1.429 1414 I CB 0.083 38.082 38.000 -0.001 0.000 1.371 1414 I HN 0.903 nan 8.210 nan 0.000 0.569 1415 G N 5.493 114.296 108.800 0.006 0.000 2.634 1415 G HA2 0.563 4.522 3.960 -0.003 0.000 0.309 1415 G HA3 0.563 4.522 3.960 -0.003 0.000 0.309 1415 G C -0.253 174.653 174.900 0.010 0.000 1.299 1415 G CA -0.393 44.712 45.100 0.008 0.000 0.798 1415 G HN 0.479 nan 8.290 nan 0.000 0.490 1416 R N -1.028 119.480 120.500 0.013 0.000 2.504 1416 R HA 0.331 4.669 4.340 -0.003 0.000 0.341 1416 R C 0.300 176.612 176.300 0.021 0.000 0.905 1416 R CA 0.182 56.291 56.100 0.015 0.000 1.133 1416 R CB 0.974 31.281 30.300 0.012 0.000 1.704 1416 R HN 0.466 nan 8.270 nan 0.000 0.503 1417 S N 0.548 116.260 115.700 0.021 0.000 2.488 1417 S HA 0.220 4.689 4.470 -0.003 0.000 0.310 1417 S C 1.192 175.811 174.600 0.032 0.000 1.093 1417 S CA -0.507 57.708 58.200 0.026 0.000 1.129 1417 S CB 0.683 63.893 63.200 0.016 0.000 0.989 1417 S HN 0.033 nan 8.310 nan 0.000 0.479 1418 V N 6.499 126.448 119.914 0.057 0.000 2.332 1418 V HA -0.033 4.086 4.120 -0.003 0.000 0.248 1418 V C -1.085 175.057 176.094 0.079 0.000 1.055 1418 V CA 1.359 63.710 62.300 0.085 0.000 1.038 1418 V CB -1.449 30.450 31.823 0.125 0.000 0.651 1418 V HN 0.629 nan 8.190 nan 0.000 0.450 1419 P HA 0.194 nan 4.420 nan 0.000 0.253 1419 P C 0.071 177.205 177.300 -0.277 0.000 1.281 1419 P CA 0.449 63.418 63.100 -0.219 0.000 0.792 1419 P CB -0.128 31.536 31.700 -0.061 0.000 1.193 1420 A N 1.215 123.970 122.820 -0.108 0.000 2.327 1420 A HA 0.562 4.881 4.320 -0.003 0.000 0.283 1420 A C -2.345 175.208 177.584 -0.051 0.000 1.127 1420 A CA -1.399 50.593 52.037 -0.075 0.000 0.810 1420 A CB -0.309 18.675 19.000 -0.025 0.000 1.066 1420 A HN 0.000 nan 8.150 nan 0.000 0.492 1421 P HA 0.587 nan 4.420 nan 0.000 0.282 1421 P C 0.222 177.562 177.300 0.065 0.000 1.249 1421 P CA -0.055 63.066 63.100 0.035 0.000 0.806 1421 P CB 1.707 33.364 31.700 -0.071 0.000 0.984 1422 G N 0.730 109.629 108.800 0.166 0.000 2.975 1422 G HA2 0.466 4.424 3.960 -0.003 0.000 0.291 1422 G HA3 0.466 4.424 3.960 -0.003 0.000 0.291 1422 G C -0.816 174.193 174.900 0.182 0.000 1.334 1422 G CA -0.723 44.449 45.100 0.120 0.000 0.843 1422 G HN 0.301 nan 8.290 nan 0.000 0.548 1423 K N -0.030 120.429 120.400 0.098 0.000 2.646 1423 K HA 0.227 4.545 4.320 -0.003 0.000 0.206 1423 K C 1.694 178.306 176.600 0.020 0.000 1.069 1423 K CA 0.098 56.436 56.287 0.084 0.000 1.067 1423 K CB 1.134 33.665 32.500 0.053 0.000 0.807 1423 K HN 0.487 nan 8.250 nan 0.000 0.482 1424 G N 1.442 110.239 108.800 -0.004 0.000 2.418 1424 G HA2 -0.232 3.727 3.960 -0.003 0.000 0.217 1424 G HA3 -0.232 3.727 3.960 -0.003 0.000 0.217 1424 G C 1.242 176.093 174.900 -0.081 0.000 1.158 1424 G CA 0.498 45.569 45.100 -0.048 0.000 0.771 1424 G HN 0.280 nan 8.290 nan 0.000 0.545 1425 I N 0.778 121.271 120.570 -0.127 0.000 3.083 1425 I HA 0.088 4.256 4.170 -0.003 0.000 0.273 1425 I C 2.135 178.192 176.117 -0.100 0.000 1.297 1425 I CA 0.165 61.366 61.300 -0.166 0.000 1.452 1425 I CB -0.037 37.769 38.000 -0.323 0.000 1.078 1425 I HN 0.136 nan 8.210 nan 0.000 0.484 1426 L N 0.096 121.285 121.223 -0.057 0.000 2.362 1426 L HA -0.161 4.177 4.340 -0.003 0.000 0.219 1426 L C 2.135 178.970 176.870 -0.058 0.000 1.134 1426 L CA 1.683 56.495 54.840 -0.045 0.000 0.807 1426 L CB -0.612 41.428 42.059 -0.033 0.000 0.927 1426 L HN 0.487 nan 8.230 nan 0.000 0.447 1427 T N -4.860 109.656 114.554 -0.063 0.000 3.051 1427 T HA -0.125 4.224 4.350 -0.003 0.000 0.269 1427 T C 1.597 176.266 174.700 -0.050 0.000 1.127 1427 T CA 1.073 63.137 62.100 -0.059 0.000 1.107 1427 T CB -0.777 68.055 68.868 -0.060 0.000 0.898 1427 T HN 0.505 nan 8.240 nan 0.000 0.517 1428 T N -1.341 113.179 114.554 -0.056 0.000 3.160 1428 T HA 0.436 4.785 4.350 -0.003 0.000 0.257 1428 T C 1.615 176.295 174.700 -0.033 0.000 1.147 1428 T CA 0.336 62.406 62.100 -0.050 0.000 1.064 1428 T CB -0.267 68.560 68.868 -0.068 0.000 0.949 1428 T HN 0.495 nan 8.240 nan 0.000 0.526 1429 A N 1.644 124.456 122.820 -0.013 0.000 2.470 1429 A HA 0.353 4.672 4.320 -0.003 0.000 0.251 1429 A C 1.093 178.741 177.584 0.106 0.000 1.245 1429 A CA -0.724 51.335 52.037 0.038 0.000 0.932 1429 A CB -0.197 18.835 19.000 0.054 0.000 1.037 1429 A HN 0.599 nan 8.150 nan 0.000 0.522 1430 R N 1.549 122.070 120.500 0.034 0.000 2.404 1430 R HA 0.243 4.582 4.340 -0.003 0.000 0.315 1430 R C -0.627 175.699 176.300 0.044 0.000 1.032 1430 R CA 0.434 56.554 56.100 0.033 0.000 0.992 1430 R CB -0.024 30.263 30.300 -0.020 0.000 0.959 1430 R HN 0.563 nan 8.270 nan 0.000 0.428 1431 E N 3.093 123.336 120.200 0.072 0.000 2.408 1431 E HA 0.179 4.527 4.350 -0.003 0.000 0.275 1431 E C -1.499 174.996 176.600 -0.176 0.000 0.935 1431 E CA -1.031 55.340 56.400 -0.048 0.000 0.775 1431 E CB 1.533 31.190 29.700 -0.071 0.000 1.277 1431 E HN 0.738 nan 8.360 nan 0.000 0.455 1432 H N 1.669 120.608 119.070 -0.218 0.000 2.594 1432 H HA 0.174 4.728 4.556 -0.003 0.000 0.304 1432 H C -0.534 174.719 175.328 -0.125 0.000 1.068 1432 H CA -0.540 55.403 56.048 -0.175 0.000 1.308 1432 H CB 0.670 30.397 29.762 -0.059 0.000 1.409 1432 H HN 0.559 nan 8.280 nan 0.000 0.460 1433 H N 3.069 121.981 119.070 -0.262 0.000 2.487 1433 H HA -0.004 4.550 4.556 -0.003 0.000 0.290 1433 H C 1.805 176.945 175.328 -0.313 0.000 1.081 1433 H CA 0.372 56.282 56.048 -0.230 0.000 1.116 1433 H CB 0.350 30.025 29.762 -0.146 0.000 1.560 1433 H HN 0.596 nan 8.280 nan 0.000 0.548 1434 S N -0.473 114.912 115.700 -0.525 0.000 2.507 1434 S HA 0.011 4.479 4.470 -0.003 0.000 0.235 1434 S C 0.588 175.105 174.600 -0.139 0.000 0.988 1434 S CA 0.037 58.028 58.200 -0.349 0.000 0.944 1434 S CB 0.161 63.105 63.200 -0.427 0.000 0.762 1434 S HN 0.086 nan 8.310 nan 0.000 0.526 1435 S N 0.150 115.788 115.700 -0.102 0.000 2.706 1435 S HA 0.509 4.977 4.470 -0.003 0.000 0.270 1435 S C -0.777 173.798 174.600 -0.041 0.000 1.163 1435 S CA -0.784 57.388 58.200 -0.048 0.000 1.042 1435 S CB 2.021 65.219 63.200 -0.003 0.000 1.079 1435 S HN 0.203 nan 8.310 nan 0.000 0.474 1436 V N 3.164 123.031 119.914 -0.079 0.000 2.864 1436 V HA 0.261 4.379 4.120 -0.003 0.000 0.378 1436 V C 1.116 177.112 176.094 -0.164 0.000 1.346 1436 V CA -0.550 61.696 62.300 -0.091 0.000 1.328 1436 V CB 0.536 32.300 31.823 -0.100 0.000 1.361 1436 V HN 0.550 nan 8.190 nan 0.000 0.641 1437 K N 0.811 121.058 120.400 -0.254 0.000 1.980 1437 K HA 0.126 4.445 4.320 -0.003 0.000 0.208 1437 K C 0.219 176.480 176.600 -0.564 0.000 1.043 1437 K CA 1.512 57.474 56.287 -0.541 0.000 0.938 1437 K CB 0.039 31.995 32.500 -0.907 0.000 0.724 1437 K HN 0.500 nan 8.250 nan 0.000 0.438 1438 Y N -0.044 120.244 120.300 -0.019 0.000 2.420 1438 Y HA 0.448 4.996 4.550 -0.003 0.000 0.334 1438 Y C 0.217 176.102 175.900 -0.025 0.000 1.094 1438 Y CA -1.301 56.785 58.100 -0.023 0.000 1.126 1438 Y CB 1.148 39.595 38.460 -0.022 0.000 1.217 1438 Y HN 0.006 nan 8.280 nan 0.000 0.462 1439 A N 1.537 124.434 122.820 0.128 0.000 2.540 1439 A HA 0.169 4.487 4.320 -0.003 0.000 0.239 1439 A C 0.417 178.018 177.584 0.029 0.000 1.061 1439 A CA -0.103 51.963 52.037 0.049 0.000 0.758 1439 A CB -0.060 18.956 19.000 0.026 0.000 0.991 1439 A HN 0.635 nan 8.150 nan 0.000 0.502 1440 S N 3.260 118.971 115.700 0.020 0.000 2.448 1440 S HA 0.365 4.834 4.470 -0.003 0.000 0.279 1440 S C -1.356 173.217 174.600 -0.046 0.000 1.195 1440 S CA -1.334 56.872 58.200 0.009 0.000 1.051 1440 S CB 0.300 63.533 63.200 0.055 0.000 0.948 1440 S HN 0.500 nan 8.310 nan 0.000 0.493 1441 P HA -0.103 nan 4.420 nan 0.000 0.219 1441 P C 1.196 178.354 177.300 -0.237 0.000 1.146 1441 P CA 0.957 63.812 63.100 -0.409 0.000 0.808 1441 P CB 0.001 31.162 31.700 -0.898 0.000 0.779 1442 N N -0.547 118.152 118.700 -0.002 0.000 2.104 1442 N HA -0.132 4.606 4.740 -0.003 0.000 0.190 1442 N C 1.648 177.282 175.510 0.206 0.000 1.024 1442 N CA 0.665 53.875 53.050 0.267 0.000 0.853 1442 N CB -0.339 38.335 38.487 0.311 0.000 1.008 1442 N HN 0.080 nan 8.380 nan 0.000 0.424 1443 L N 0.657 121.970 121.223 0.150 0.000 2.191 1443 L HA -0.108 4.230 4.340 -0.003 0.000 0.212 1443 L C 0.536 177.410 176.870 0.006 0.000 1.103 1443 L CA 0.454 55.363 54.840 0.115 0.000 0.769 1443 L CB -0.448 41.670 42.059 0.099 0.000 0.908 1443 L HN 0.220 nan 8.230 nan 0.000 0.438 1444 N N 0.357 119.066 118.700 0.016 0.000 2.401 1444 N HA -0.008 4.730 4.740 -0.003 0.000 0.255 1444 N C 0.816 176.330 175.510 0.007 0.000 1.110 1444 N CA 0.245 53.301 53.050 0.010 0.000 0.949 1444 N CB 0.874 39.371 38.487 0.016 0.000 1.110 1444 N HN 0.092 nan 8.380 nan 0.000 0.490 1445 M N 3.293 122.861 119.600 -0.053 0.000 2.108 1445 M HA -0.188 4.290 4.480 -0.003 0.000 0.261 1445 M C 1.455 177.719 176.300 -0.059 0.000 1.066 1445 M CA 1.660 56.905 55.300 -0.091 0.000 1.107 1445 M CB 0.093 32.644 32.600 -0.081 0.000 1.356 1445 M HN 0.515 nan 8.290 nan 0.000 0.406 1446 K N -0.950 119.437 120.400 -0.023 0.000 2.103 1446 K HA -0.244 4.075 4.320 -0.003 0.000 0.207 1446 K C 1.811 178.393 176.600 -0.030 0.000 1.048 1446 K CA 1.957 58.229 56.287 -0.024 0.000 0.930 1446 K CB -0.433 32.064 32.500 -0.005 0.000 0.716 1446 K HN 0.406 nan 8.250 nan 0.000 0.444 1447 Y N 1.674 121.899 120.300 -0.125 0.000 2.070 1447 Y HA -0.216 4.332 4.550 -0.003 0.000 0.279 1447 Y C 2.063 177.804 175.900 -0.266 0.000 1.134 1447 Y CA 1.494 59.496 58.100 -0.163 0.000 1.113 1447 Y CB -0.190 38.200 38.460 -0.116 0.000 0.981 1447 Y HN -0.100 nan 8.280 nan 0.000 0.487 1448 R N 0.155 120.456 120.500 -0.331 0.000 2.113 1448 R HA -0.248 4.090 4.340 -0.003 0.000 0.244 1448 R C 2.279 178.270 176.300 -0.515 0.000 1.142 1448 R CA 1.980 57.790 56.100 -0.483 0.000 0.953 1448 R CB -0.468 29.779 30.300 -0.090 0.000 0.860 1448 R HN 0.191 nan 8.270 nan 0.000 0.438 1449 K N 1.173 121.398 120.400 -0.292 0.000 2.103 1449 K HA -0.146 4.172 4.320 -0.003 0.000 0.207 1449 K C 2.004 178.433 176.600 -0.285 0.000 1.048 1449 K CA 1.523 57.676 56.287 -0.223 0.000 0.930 1449 K CB -0.041 32.381 32.500 -0.130 0.000 0.716 1449 K HN 0.109 nan 8.250 nan 0.000 0.444 1450 R N -0.129 120.168 120.500 -0.339 0.000 2.073 1450 R HA -0.097 4.242 4.340 -0.003 0.000 0.234 1450 R C 2.337 178.373 176.300 -0.439 0.000 1.134 1450 R CA 1.462 57.371 56.100 -0.320 0.000 0.952 1450 R CB -0.393 29.741 30.300 -0.276 0.000 0.850 1450 R HN 0.307 nan 8.270 nan 0.000 0.433 1451 Q N 0.833 120.176 119.800 -0.761 0.000 2.112 1451 Q HA -0.188 4.151 4.340 -0.003 0.000 0.206 1451 Q C 2.234 177.789 176.000 -0.740 0.000 0.987 1451 Q CA 1.216 56.431 55.803 -0.981 0.000 0.858 1451 Q CB -0.447 27.085 28.738 -2.010 0.000 0.905 1451 Q HN 0.237 nan 8.270 nan 0.000 0.420 1452 L N 0.077 120.911 121.223 -0.649 0.000 2.017 1452 L HA -0.111 4.228 4.340 -0.003 0.000 0.208 1452 L C 2.251 179.037 176.870 -0.140 0.000 1.073 1452 L CA 1.415 56.118 54.840 -0.228 0.000 0.745 1452 L CB -0.777 41.227 42.059 -0.091 0.000 0.894 1452 L HN -0.051 nan 8.230 nan 0.000 0.432 1453 V N -0.362 119.453 119.914 -0.164 0.000 2.469 1453 V HA -0.308 3.810 4.120 -0.003 0.000 0.251 1453 V C 2.519 178.561 176.094 -0.086 0.000 1.064 1453 V CA 2.170 64.408 62.300 -0.103 0.000 1.066 1453 V CB -0.815 30.946 31.823 -0.104 0.000 0.667 1453 V HN 0.610 nan 8.190 nan 0.000 0.461 1454 T N -0.830 113.650 114.554 -0.123 0.000 2.708 1454 T HA -0.168 4.181 4.350 -0.003 0.000 0.266 1454 T C 2.176 176.851 174.700 -0.042 0.000 1.037 1454 T CA 1.102 63.151 62.100 -0.085 0.000 1.146 1454 T CB -0.240 68.560 68.868 -0.114 0.000 0.865 1454 T HN 0.194 nan 8.240 nan 0.000 0.435 1455 R N 1.285 121.763 120.500 -0.037 0.000 2.127 1455 R HA -0.017 4.322 4.340 -0.003 0.000 0.238 1455 R C 2.336 178.640 176.300 0.007 0.000 1.134 1455 R CA 1.157 57.263 56.100 0.008 0.000 0.975 1455 R CB -0.499 29.835 30.300 0.057 0.000 0.865 1455 R HN 0.608 nan 8.270 nan 0.000 0.447 1456 E N -0.235 119.963 120.200 -0.003 0.000 2.031 1456 E HA -0.146 4.202 4.350 -0.003 0.000 0.193 1456 E C 1.943 178.555 176.600 0.020 0.000 0.994 1456 E CA 1.305 57.709 56.400 0.007 0.000 0.800 1456 E CB -0.106 29.593 29.700 -0.003 0.000 0.752 1456 E HN 0.292 nan 8.360 nan 0.000 0.447 1457 A N 1.319 124.146 122.820 0.011 0.000 1.877 1457 A HA -0.282 4.037 4.320 -0.003 0.000 0.216 1457 A C 2.114 179.726 177.584 0.046 0.000 1.186 1457 A CA 1.756 53.807 52.037 0.024 0.000 0.620 1457 A CB -0.672 18.333 19.000 0.008 0.000 0.822 1457 A HN 0.206 nan 8.150 nan 0.000 0.443 1458 Q N -0.572 119.251 119.800 0.039 0.000 2.152 1458 Q HA -0.180 4.158 4.340 -0.003 0.000 0.206 1458 Q C 1.923 177.984 176.000 0.101 0.000 0.985 1458 Q CA 1.884 57.723 55.803 0.060 0.000 0.863 1458 Q CB -0.275 28.485 28.738 0.037 0.000 0.904 1458 Q HN 0.767 nan 8.270 nan 0.000 0.422 1459 I N 0.070 120.685 120.570 0.076 0.000 2.353 1459 I HA -0.248 3.920 4.170 -0.003 0.000 0.248 1459 I C 2.445 178.688 176.117 0.211 0.000 1.119 1459 I CA 0.864 62.228 61.300 0.107 0.000 1.417 1459 I CB -0.365 37.653 38.000 0.030 0.000 1.078 1459 I HN 0.224 nan 8.210 nan 0.000 0.421 1460 K N 1.612 122.095 120.400 0.139 0.000 2.020 1460 K HA -0.262 4.056 4.320 -0.003 0.000 0.212 1460 K C 1.384 178.073 176.600 0.148 0.000 1.050 1460 K CA 2.584 58.949 56.287 0.130 0.000 0.929 1460 K CB -0.164 32.383 32.500 0.078 0.000 0.714 1460 K HN 0.422 nan 8.250 nan 0.000 0.443 1461 D N -1.541 118.940 120.400 0.134 0.000 2.349 1461 D HA -0.106 4.532 4.640 -0.003 0.000 0.224 1461 D C 1.566 177.944 176.300 0.130 0.000 1.029 1461 D CA 0.049 54.110 54.000 0.101 0.000 0.879 1461 D CB -0.528 40.313 40.800 0.069 0.000 0.906 1461 D HN 0.446 nan 8.370 nan 0.000 0.528 1462 W N 1.241 122.551 121.300 0.018 0.000 2.409 1462 W HA -0.086 4.572 4.660 -0.003 0.000 0.299 1462 W C 1.574 178.103 176.519 0.017 0.000 1.203 1462 W CA 1.165 58.520 57.345 0.017 0.000 1.298 1462 W CB 0.002 29.473 29.460 0.019 0.000 1.127 1462 W HN -0.126 nan 8.180 nan 0.000 0.528 1463 V N 0.929 120.993 119.914 0.250 0.000 2.453 1463 V HA -0.257 3.861 4.120 -0.003 0.000 0.247 1463 V C 2.018 178.055 176.094 -0.095 0.000 1.048 1463 V CA 2.285 64.619 62.300 0.056 0.000 1.049 1463 V CB -1.037 30.953 31.823 0.279 0.000 0.672 1463 V HN 0.180 nan 8.190 nan 0.000 0.457 1464 E N 0.542 120.730 120.200 -0.021 0.000 2.051 1464 E HA -0.255 4.094 4.350 -0.003 0.000 0.192 1464 E C 2.115 178.648 176.600 -0.113 0.000 0.991 1464 E CA 1.700 58.074 56.400 -0.044 0.000 0.799 1464 E CB -0.284 29.414 29.700 -0.002 0.000 0.748 1464 E HN 0.667 nan 8.360 nan 0.000 0.449 1465 N N -0.006 118.605 118.700 -0.148 0.000 2.223 1465 N HA -0.196 4.542 4.740 -0.003 0.000 0.185 1465 N C 1.792 177.133 175.510 -0.282 0.000 1.016 1465 N CA 0.880 53.820 53.050 -0.183 0.000 0.863 1465 N CB 0.145 38.534 38.487 -0.163 0.000 0.983 1465 N HN 0.022 nan 8.380 nan 0.000 0.429 1466 E N 0.454 120.373 120.200 -0.469 0.000 2.072 1466 E HA -0.008 4.340 4.350 -0.003 0.000 0.190 1466 E C 1.724 178.138 176.600 -0.310 0.000 0.982 1466 E CA 0.684 56.776 56.400 -0.513 0.000 0.803 1466 E CB -0.026 29.132 29.700 -0.904 0.000 0.755 1466 E HN 0.315 nan 8.360 nan 0.000 0.453 1467 L N 0.425 121.493 121.223 -0.258 0.000 2.201 1467 L HA -0.120 4.218 4.340 -0.003 0.000 0.212 1467 L C 2.250 179.045 176.870 -0.124 0.000 1.105 1467 L CA 0.901 55.633 54.840 -0.180 0.000 0.775 1467 L CB -0.153 41.820 42.059 -0.143 0.000 0.913 1467 L HN 0.133 nan 8.230 nan 0.000 0.440 1468 E N 0.372 120.502 120.200 -0.117 0.000 2.047 1468 E HA -0.149 4.199 4.350 -0.003 0.000 0.191 1468 E C 2.213 178.774 176.600 -0.066 0.000 0.987 1468 E CA 1.384 57.737 56.400 -0.077 0.000 0.799 1468 E CB -0.179 29.478 29.700 -0.071 0.000 0.752 1468 E HN 0.345 nan 8.360 nan 0.000 0.449 1469 A N 0.159 122.927 122.820 -0.088 0.000 2.070 1469 A HA -0.129 4.190 4.320 -0.003 0.000 0.220 1469 A C 2.112 179.677 177.584 -0.032 0.000 1.159 1469 A CA 1.196 53.196 52.037 -0.061 0.000 0.656 1469 A CB -0.539 18.412 19.000 -0.081 0.000 0.800 1469 A HN 0.332 nan 8.150 nan 0.000 0.453 1470 L N -0.494 120.698 121.223 -0.053 0.000 2.109 1470 L HA -0.041 4.297 4.340 -0.003 0.000 0.207 1470 L C 2.191 179.086 176.870 0.042 0.000 1.086 1470 L CA 1.953 56.781 54.840 -0.020 0.000 0.760 1470 L CB -0.378 41.614 42.059 -0.111 0.000 0.910 1470 L HN 0.300 nan 8.230 nan 0.000 0.437 1471 K N -0.724 119.680 120.400 0.007 0.000 2.063 1471 K HA -0.147 4.171 4.320 -0.003 0.000 0.208 1471 K C 2.024 178.647 176.600 0.038 0.000 1.048 1471 K CA 1.567 57.870 56.287 0.025 0.000 0.928 1471 K CB -0.300 32.201 32.500 0.001 0.000 0.713 1471 K HN 0.305 nan 8.250 nan 0.000 0.442 1472 L N 0.853 122.089 121.223 0.022 0.000 2.275 1472 L HA -0.163 4.176 4.340 -0.003 0.000 0.215 1472 L C 2.073 178.962 176.870 0.031 0.000 1.119 1472 L CA 1.098 55.949 54.840 0.018 0.000 0.790 1472 L CB -0.212 41.849 42.059 0.004 0.000 0.919 1472 L HN 0.270 nan 8.230 nan 0.000 0.443 1473 E N -0.096 120.145 120.200 0.069 0.000 2.112 1473 E HA -0.102 4.246 4.350 -0.003 0.000 0.190 1473 E C 2.269 178.900 176.600 0.053 0.000 0.979 1473 E CA 0.938 57.389 56.400 0.085 0.000 0.814 1473 E CB 0.009 29.824 29.700 0.193 0.000 0.762 1473 E HN 0.458 nan 8.360 nan 0.000 0.460 1474 A N 1.347 124.260 122.820 0.155 0.000 1.970 1474 A HA -0.126 4.193 4.320 -0.003 0.000 0.216 1474 A C 1.780 179.377 177.584 0.021 0.000 1.170 1474 A CA 0.785 52.886 52.037 0.106 0.000 0.645 1474 A CB -0.192 18.977 19.000 0.282 0.000 0.816 1474 A HN 0.087 nan 8.150 nan 0.000 0.447 1475 E N -1.016 119.200 120.200 0.026 0.000 2.516 1475 E HA -0.089 4.260 4.350 -0.003 0.000 0.199 1475 E C 1.317 177.910 176.600 -0.011 0.000 1.069 1475 E CA 0.595 56.999 56.400 0.007 0.000 0.876 1475 E CB 0.123 29.829 29.700 0.010 0.000 0.843 1475 E HN 0.747 nan 8.360 nan 0.000 0.530 1476 E N -0.974 119.210 120.200 -0.027 0.000 2.608 1476 E HA 0.075 4.424 4.350 -0.003 0.000 0.204 1476 E C 1.335 177.901 176.600 -0.057 0.000 0.884 1476 E CA 0.083 56.463 56.400 -0.034 0.000 1.533 1476 E CB 0.736 30.421 29.700 -0.025 0.000 1.559 1476 E HN 0.146 nan 8.360 nan 0.000 0.864 1477 I N 0.715 121.230 120.570 -0.092 0.000 4.398 1477 I HA 0.170 4.338 4.170 -0.003 0.000 0.310 1477 I C -1.802 174.214 176.117 -0.168 0.000 1.232 1477 I CA -0.445 60.782 61.300 -0.122 0.000 1.312 1477 I CB 0.491 38.413 38.000 -0.130 0.000 1.347 1477 I HN -0.061 nan 8.210 nan 0.000 0.454 1478 P HA 0.323 nan 4.420 nan 0.000 0.281 1478 P C -0.363 176.864 177.300 -0.122 0.000 1.249 1478 P CA -0.060 62.889 63.100 -0.252 0.000 0.810 1478 P CB 1.122 32.567 31.700 -0.425 0.000 1.008 1479 S N -0.028 115.618 115.700 -0.090 0.000 2.546 1479 S HA 0.109 4.578 4.470 -0.003 0.000 0.265 1479 S C 1.043 175.631 174.600 -0.020 0.000 1.190 1479 S CA -0.689 57.484 58.200 -0.046 0.000 1.014 1479 S CB 0.132 63.310 63.200 -0.037 0.000 1.087 1479 S HN 0.566 nan 8.310 nan 0.000 0.525 1480 E N 1.008 121.203 120.200 -0.008 0.000 2.502 1480 E HA -0.077 4.271 4.350 -0.003 0.000 0.194 1480 E C -0.250 176.359 176.600 0.016 0.000 1.062 1480 E CA 0.096 56.499 56.400 0.006 0.000 0.867 1480 E CB -0.155 29.548 29.700 0.005 0.000 0.888 1480 E HN 0.559 nan 8.360 nan 0.000 0.510 1481 D N 0.364 120.772 120.400 0.013 0.000 3.038 1481 D HA -0.073 4.565 4.640 -0.003 0.000 0.243 1481 D C 0.841 177.174 176.300 0.054 0.000 1.245 1481 D CA -0.046 53.970 54.000 0.027 0.000 0.871 1481 D CB 0.400 41.211 40.800 0.017 0.000 1.089 1481 D HN 0.140 nan 8.370 nan 0.000 0.464 1482 Q N -0.095 119.746 119.800 0.068 0.000 2.424 1482 Q HA 0.029 4.367 4.340 -0.003 0.000 0.204 1482 Q C 1.260 177.350 176.000 0.149 0.000 0.933 1482 Q CA 0.080 55.960 55.803 0.128 0.000 0.929 1482 Q CB 0.167 28.971 28.738 0.109 0.000 1.037 1482 Q HN 0.145 nan 8.270 nan 0.000 0.511 1483 N N 0.708 119.464 118.700 0.093 0.000 2.166 1483 N HA -0.189 4.550 4.740 -0.003 0.000 0.186 1483 N C 1.197 176.750 175.510 0.072 0.000 1.019 1483 N CA 1.190 54.282 53.050 0.070 0.000 0.856 1483 N CB 0.100 38.617 38.487 0.050 0.000 0.993 1483 N HN 0.362 nan 8.380 nan 0.000 0.426 1484 E N -0.903 119.352 120.200 0.090 0.000 2.250 1484 E HA -0.028 4.320 4.350 -0.003 0.000 0.192 1484 E C 1.473 178.137 176.600 0.106 0.000 0.986 1484 E CA -0.127 56.322 56.400 0.083 0.000 0.849 1484 E CB 0.034 29.777 29.700 0.072 0.000 0.797 1484 E HN 0.209 nan 8.360 nan 0.000 0.482 1485 F N 1.061 121.018 119.950 0.012 0.000 2.171 1485 F HA -0.189 4.336 4.527 -0.003 0.000 0.300 1485 F C 1.683 177.487 175.800 0.007 0.000 1.090 1485 F CA 1.034 59.039 58.000 0.007 0.000 1.293 1485 F CB 0.022 39.023 39.000 0.000 0.000 1.013 1485 F HN 0.033 nan 8.300 nan 0.000 0.486 1486 L N -0.144 121.007 121.223 -0.119 0.000 2.131 1486 L HA -0.111 4.227 4.340 -0.003 0.000 0.206 1486 L C 2.445 179.221 176.870 -0.156 0.000 1.087 1486 L CA 1.159 55.872 54.840 -0.211 0.000 0.767 1486 L CB -1.189 40.842 42.059 -0.047 0.000 0.917 1486 L HN 0.334 nan 8.230 nan 0.000 0.441 1487 L N 0.196 121.385 121.223 -0.058 0.000 1.943 1487 L HA -0.265 4.073 4.340 -0.003 0.000 0.215 1487 L C 2.469 179.333 176.870 -0.010 0.000 1.074 1487 L CA 1.624 56.458 54.840 -0.011 0.000 0.759 1487 L CB -0.223 41.865 42.059 0.048 0.000 0.888 1487 L HN 0.264 nan 8.230 nan 0.000 0.433 1488 E N -0.646 119.558 120.200 0.007 0.000 2.171 1488 E HA -0.252 4.097 4.350 -0.003 0.000 0.197 1488 E C 2.234 178.811 176.600 -0.038 0.000 0.997 1488 E CA 1.068 57.493 56.400 0.041 0.000 0.810 1488 E CB 0.010 29.725 29.700 0.026 0.000 0.738 1488 E HN 0.428 nan 8.360 nan 0.000 0.467 1489 R N -0.147 120.242 120.500 -0.186 0.000 2.057 1489 R HA -0.027 4.311 4.340 -0.003 0.000 0.224 1489 R C 2.726 178.909 176.300 -0.195 0.000 1.136 1489 R CA 1.756 57.710 56.100 -0.245 0.000 0.968 1489 R CB -1.182 28.812 30.300 -0.510 0.000 0.863 1489 R HN 0.330 nan 8.270 nan 0.000 0.433 1490 T N -0.067 114.356 114.554 -0.218 0.000 2.746 1490 T HA -0.191 4.158 4.350 -0.003 0.000 0.267 1490 T C 2.014 176.593 174.700 -0.201 0.000 1.039 1490 T CA 1.385 63.338 62.100 -0.245 0.000 1.142 1490 T CB -0.231 68.501 68.868 -0.227 0.000 0.866 1490 T HN 0.058 nan 8.240 nan 0.000 0.444 1491 R N 1.932 122.378 120.500 -0.091 0.000 2.112 1491 R HA -0.152 4.187 4.340 -0.003 0.000 0.242 1491 R C 2.384 178.683 176.300 -0.001 0.000 1.137 1491 R CA 2.409 58.490 56.100 -0.031 0.000 0.944 1491 R CB -0.998 29.287 30.300 -0.025 0.000 0.857 1491 R HN 0.667 nan 8.270 nan 0.000 0.435 1492 E N -0.368 119.835 120.200 0.005 0.000 2.110 1492 E HA -0.150 4.199 4.350 -0.003 0.000 0.193 1492 E C 1.972 178.607 176.600 0.058 0.000 0.988 1492 E CA 1.586 58.011 56.400 0.041 0.000 0.804 1492 E CB -0.131 29.592 29.700 0.039 0.000 0.745 1492 E HN 0.512 nan 8.360 nan 0.000 0.458 1493 I N 0.006 120.573 120.570 -0.005 0.000 2.179 1493 I HA -0.292 3.877 4.170 -0.003 0.000 0.242 1493 I C 2.095 178.309 176.117 0.162 0.000 1.088 1493 I CA 1.535 62.856 61.300 0.035 0.000 1.357 1493 I CB -0.430 37.470 38.000 -0.167 0.000 1.051 1493 I HN 0.276 nan 8.210 nan 0.000 0.409 1494 H N 0.186 119.305 119.070 0.082 0.000 2.423 1494 H HA -0.093 4.461 4.556 -0.003 0.000 0.297 1494 H C 2.097 177.464 175.328 0.065 0.000 1.075 1494 H CA 1.169 57.262 56.048 0.075 0.000 1.342 1494 H CB 0.026 29.805 29.762 0.027 0.000 1.395 1494 H HN 0.401 nan 8.280 nan 0.000 0.530 1495 N N 0.635 119.436 118.700 0.168 0.000 2.013 1495 N HA -0.179 4.559 4.740 -0.003 0.000 0.195 1495 N C 1.636 177.202 175.510 0.094 0.000 1.051 1495 N CA 1.392 54.502 53.050 0.100 0.000 0.851 1495 N CB 0.019 38.550 38.487 0.073 0.000 1.044 1495 N HN 0.431 nan 8.380 nan 0.000 0.422 1496 E N 0.717 120.990 120.200 0.120 0.000 2.130 1496 E HA -0.256 4.092 4.350 -0.003 0.000 0.196 1496 E C 2.041 178.636 176.600 -0.008 0.000 0.998 1496 E CA 1.102 57.547 56.400 0.074 0.000 0.806 1496 E CB -0.176 29.639 29.700 0.191 0.000 0.738 1496 E HN 0.422 nan 8.360 nan 0.000 0.459 1497 A N 1.744 124.654 122.820 0.150 0.000 1.858 1497 A HA -0.242 4.077 4.320 -0.003 0.000 0.216 1497 A C 2.038 179.641 177.584 0.031 0.000 1.190 1497 A CA 1.445 53.557 52.037 0.125 0.000 0.617 1497 A CB -0.401 18.800 19.000 0.334 0.000 0.827 1497 A HN 0.142 nan 8.150 nan 0.000 0.443 1498 E N -0.519 119.714 120.200 0.055 0.000 2.153 1498 E HA -0.135 4.213 4.350 -0.003 0.000 0.194 1498 E C 2.271 178.868 176.600 -0.006 0.000 0.988 1498 E CA 1.088 57.500 56.400 0.020 0.000 0.811 1498 E CB -0.168 29.546 29.700 0.023 0.000 0.746 1498 E HN 0.586 nan 8.360 nan 0.000 0.466 1499 S N 0.707 116.398 115.700 -0.015 0.000 2.368 1499 S HA -0.193 4.275 4.470 -0.003 0.000 0.225 1499 S C 1.943 176.502 174.600 -0.069 0.000 1.030 1499 S CA 1.198 59.377 58.200 -0.035 0.000 0.999 1499 S CB 0.009 63.190 63.200 -0.032 0.000 0.844 1499 S HN 0.239 nan 8.310 nan 0.000 0.459 1500 Q N 0.120 119.848 119.800 -0.120 0.000 2.124 1500 Q HA -0.073 4.265 4.340 -0.003 0.000 0.202 1500 Q C 2.277 178.224 176.000 -0.089 0.000 0.977 1500 Q CA 1.449 57.158 55.803 -0.155 0.000 0.850 1500 Q CB -0.288 28.277 28.738 -0.288 0.000 0.901 1500 Q HN 0.523 nan 8.270 nan 0.000 0.429 1501 L N 0.247 121.436 121.223 -0.057 0.000 2.056 1501 L HA -0.157 4.181 4.340 -0.003 0.000 0.207 1501 L C 2.412 179.277 176.870 -0.008 0.000 1.078 1501 L CA 1.022 55.850 54.840 -0.021 0.000 0.749 1501 L CB 0.011 42.067 42.059 -0.004 0.000 0.901 1501 L HN 0.021 nan 8.230 nan 0.000 0.433 1502 R N -0.138 120.354 120.500 -0.014 0.000 2.120 1502 R HA -0.073 4.265 4.340 -0.003 0.000 0.234 1502 R C 2.103 178.393 176.300 -0.016 0.000 1.123 1502 R CA 1.450 57.545 56.100 -0.007 0.000 0.975 1502 R CB -0.636 29.659 30.300 -0.008 0.000 0.866 1502 R HN 0.499 nan 8.270 nan 0.000 0.446 1503 A N -0.600 122.200 122.820 -0.033 0.000 2.016 1503 A HA 0.126 4.444 4.320 -0.003 0.000 0.217 1503 A C 2.157 179.715 177.584 -0.044 0.000 1.162 1503 A CA 1.241 53.248 52.037 -0.050 0.000 0.662 1503 A CB -0.492 18.467 19.000 -0.068 0.000 0.812 1503 A HN 0.355 nan 8.150 nan 0.000 0.450 1504 A N -0.416 122.399 122.820 -0.008 0.000 1.897 1504 A HA -0.129 4.189 4.320 -0.003 0.000 0.215 1504 A C 2.079 179.724 177.584 0.102 0.000 1.181 1504 A CA 1.337 53.410 52.037 0.061 0.000 0.620 1504 A CB -0.545 18.507 19.000 0.087 0.000 0.821 1504 A HN 0.584 nan 8.150 nan 0.000 0.443 1505 Q N -0.708 119.130 119.800 0.065 0.000 2.112 1505 Q HA -0.312 4.026 4.340 -0.003 0.000 0.206 1505 Q C 2.305 178.334 176.000 0.048 0.000 0.987 1505 Q CA 1.994 57.837 55.803 0.066 0.000 0.858 1505 Q CB -0.248 28.513 28.738 0.038 0.000 0.905 1505 Q HN 0.853 nan 8.270 nan 0.000 0.420 1506 Q N 0.701 120.501 119.800 0.000 0.000 2.020 1506 Q HA -0.280 4.059 4.340 -0.003 0.000 0.202 1506 Q C 2.180 178.130 176.000 -0.083 0.000 0.982 1506 Q CA 1.827 57.606 55.803 -0.039 0.000 0.838 1506 Q CB -0.006 28.694 28.738 -0.064 0.000 0.899 1506 Q HN 0.248 nan 8.270 nan 0.000 0.423 1507 Q N -0.534 119.172 119.800 -0.156 0.000 2.135 1507 Q HA -0.181 4.158 4.340 -0.003 0.000 0.204 1507 Q C 0.951 176.682 176.000 -0.449 0.000 0.981 1507 Q CA 2.210 57.787 55.803 -0.377 0.000 0.856 1507 Q CB -0.357 28.062 28.738 -0.531 0.000 0.902 1507 Q HN 0.575 nan 8.270 nan 0.000 0.425 1508 W N -2.112 119.201 121.300 0.020 0.000 2.993 1508 W HA 0.437 5.095 4.660 -0.003 0.000 0.290 1508 W C 1.717 178.239 176.519 0.004 0.000 1.203 1508 W CA 0.010 57.358 57.345 0.005 0.000 1.582 1508 W CB 0.545 29.960 29.460 -0.075 0.000 1.033 1508 W HN 0.261 nan 8.180 nan 0.000 0.594 1509 G N -0.290 108.642 108.800 0.221 0.000 2.853 1509 G HA2 -0.065 3.893 3.960 -0.003 0.000 0.202 1509 G HA3 -0.065 3.893 3.960 -0.003 0.000 0.202 1509 G C 1.233 176.262 174.900 0.214 0.000 1.118 1509 G CA 0.278 45.468 45.100 0.149 0.000 0.831 1509 G HN 0.020 nan 8.290 nan 0.000 0.613 1510 N N 0.797 119.570 118.700 0.121 0.000 2.258 1510 N HA -0.021 4.717 4.740 -0.003 0.000 0.183 1510 N C 0.193 175.660 175.510 -0.071 0.000 1.029 1510 N CA 0.929 54.005 53.050 0.044 0.000 0.857 1510 N CB 0.330 38.807 38.487 -0.017 0.000 1.008 1510 N HN 0.062 nan 8.380 nan 0.000 0.433 1511 D N 0.630 120.926 120.400 -0.174 0.000 2.593 1511 D HA 0.081 4.720 4.640 -0.003 0.000 0.241 1511 D C 0.970 176.960 176.300 -0.517 0.000 1.257 1511 D CA -0.304 53.398 54.000 -0.497 0.000 0.828 1511 D CB -0.123 40.462 40.800 -0.359 0.000 1.049 1511 D HN 0.272 nan 8.370 nan 0.000 0.490 1512 F N 0.294 120.081 119.950 -0.272 0.000 2.307 1512 F HA -0.195 4.331 4.527 -0.003 0.000 0.301 1512 F C 1.678 177.432 175.800 -0.076 0.000 1.076 1512 F CA 0.607 58.515 58.000 -0.153 0.000 1.383 1512 F CB -0.920 38.114 39.000 0.058 0.000 1.055 1512 F HN 0.015 nan 8.300 nan 0.000 0.526 1513 Y N -1.117 118.746 120.300 -0.729 0.000 2.467 1513 Y HA 0.421 4.970 4.550 -0.003 0.000 0.250 1513 Y C 1.962 177.697 175.900 -0.276 0.000 1.155 1513 Y CA -0.963 56.847 58.100 -0.482 0.000 1.249 1513 Y CB -0.881 37.160 38.460 -0.698 0.000 1.146 1513 Y HN -0.019 nan 8.280 nan 0.000 0.524 1514 K N 1.250 121.310 120.400 -0.568 0.000 2.001 1514 K HA -0.206 4.112 4.320 -0.003 0.000 0.214 1514 K C 1.286 177.788 176.600 -0.164 0.000 1.050 1514 K CA 1.935 58.006 56.287 -0.360 0.000 0.934 1514 K CB -0.032 32.239 32.500 -0.382 0.000 0.718 1514 K HN 0.194 nan 8.250 nan 0.000 0.443 1515 R N 0.818 121.230 120.500 -0.147 0.000 2.335 1515 R HA 0.083 4.421 4.340 -0.003 0.000 0.223 1515 R C -0.590 175.687 176.300 -0.038 0.000 0.940 1515 R CA 0.151 56.200 56.100 -0.086 0.000 1.086 1515 R CB -0.104 30.142 30.300 -0.091 0.000 1.073 1515 R HN 0.160 nan 8.270 nan 0.000 0.504 1516 D N -0.610 119.782 120.400 -0.013 0.000 2.233 1516 D HA 0.200 4.838 4.640 -0.003 0.000 0.240 1516 D C -1.973 174.349 176.300 0.036 0.000 1.074 1516 D CA -2.362 51.658 54.000 0.035 0.000 0.838 1516 D CB 1.959 42.810 40.800 0.085 0.000 1.124 1516 D HN -0.102 nan 8.370 nan 0.000 0.475 1517 P HA 0.212 nan 4.420 nan 0.000 0.255 1517 P C 0.580 177.921 177.300 0.067 0.000 1.248 1517 P CA 0.263 63.381 63.100 0.031 0.000 0.807 1517 P CB 0.498 32.202 31.700 0.007 0.000 1.150 1518 R N -0.582 119.965 120.500 0.078 0.000 2.308 1518 R HA 0.308 4.646 4.340 -0.003 0.000 0.202 1518 R C 0.515 176.856 176.300 0.069 0.000 0.898 1518 R CA 0.160 56.312 56.100 0.086 0.000 1.046 1518 R CB 0.291 30.650 30.300 0.099 0.000 1.026 1518 R HN 0.193 nan 8.270 nan 0.000 0.512 1519 I N 1.728 122.333 120.570 0.059 0.000 2.354 1519 I HA 0.325 4.493 4.170 -0.003 0.000 0.286 1519 I C 0.120 176.232 176.117 -0.009 0.000 1.007 1519 I CA -0.918 60.397 61.300 0.024 0.000 1.167 1519 I CB 1.546 39.573 38.000 0.044 0.000 1.320 1519 I HN -0.004 nan 8.210 nan 0.000 0.458 1520 A N 8.283 131.081 122.820 -0.036 0.000 2.406 1520 A HA 0.363 4.682 4.320 -0.003 0.000 0.243 1520 A C -1.622 175.897 177.584 -0.108 0.000 1.082 1520 A CA -0.967 51.046 52.037 -0.041 0.000 0.786 1520 A CB -0.082 18.906 19.000 -0.019 0.000 1.029 1520 A HN 0.526 nan 8.150 nan 0.000 0.495 1521 P HA -0.176 nan 4.420 nan 0.000 0.215 1521 P C 1.634 178.829 177.300 -0.175 0.000 1.157 1521 P CA 0.884 63.947 63.100 -0.062 0.000 0.874 1521 P CB 0.040 31.735 31.700 -0.008 0.000 0.790 1522 L N -1.331 119.818 121.223 -0.122 0.000 2.017 1522 L HA -0.192 4.146 4.340 -0.003 0.000 0.208 1522 L C 2.718 179.493 176.870 -0.159 0.000 1.073 1522 L CA 1.569 56.340 54.840 -0.115 0.000 0.745 1522 L CB -0.366 41.648 42.059 -0.074 0.000 0.894 1522 L HN -0.097 nan 8.230 nan 0.000 0.432 1523 R N -0.098 120.300 120.500 -0.169 0.000 2.097 1523 R HA -0.186 4.152 4.340 -0.003 0.000 0.236 1523 R C 2.046 178.177 176.300 -0.282 0.000 1.135 1523 R CA 1.890 57.887 56.100 -0.172 0.000 0.934 1523 R CB -1.198 29.021 30.300 -0.136 0.000 0.846 1523 R HN 0.492 nan 8.270 nan 0.000 0.431 1524 G N -0.299 108.132 108.800 -0.614 0.000 2.421 1524 G HA2 -0.125 3.833 3.960 -0.003 0.000 0.217 1524 G HA3 -0.125 3.833 3.960 -0.003 0.000 0.217 1524 G C 1.577 175.955 174.900 -0.870 0.000 1.143 1524 G CA 0.782 45.188 45.100 -1.157 0.000 0.784 1524 G HN 0.467 nan 8.290 nan 0.000 0.541 1525 A N 0.922 123.392 122.820 -0.583 0.000 1.892 1525 A HA -0.017 4.301 4.320 -0.003 0.000 0.218 1525 A C 2.407 179.981 177.584 -0.016 0.000 1.188 1525 A CA 1.459 53.400 52.037 -0.159 0.000 0.631 1525 A CB -0.465 18.486 19.000 -0.081 0.000 0.822 1525 A HN 0.358 nan 8.150 nan 0.000 0.447 1526 L N -1.090 120.099 121.223 -0.056 0.000 2.072 1526 L HA -0.103 4.236 4.340 -0.003 0.000 0.205 1526 L C 3.050 179.936 176.870 0.027 0.000 1.079 1526 L CA 0.863 55.705 54.840 0.004 0.000 0.752 1526 L CB -0.581 41.455 42.059 -0.039 0.000 0.906 1526 L HN 0.423 nan 8.230 nan 0.000 0.436 1527 A N 0.318 123.136 122.820 -0.004 0.000 2.024 1527 A HA -0.235 4.083 4.320 -0.003 0.000 0.220 1527 A C 2.425 180.096 177.584 0.146 0.000 1.164 1527 A CA 2.172 54.262 52.037 0.088 0.000 0.643 1527 A CB -0.959 18.144 19.000 0.172 0.000 0.806 1527 A HN 0.539 nan 8.150 nan 0.000 0.451 1528 T N -3.871 110.767 114.554 0.140 0.000 2.962 1528 T HA -0.133 4.215 4.350 -0.003 0.000 0.270 1528 T C 1.207 175.711 174.700 -0.327 0.000 1.088 1528 T CA 1.413 63.528 62.100 0.025 0.000 1.127 1528 T CB -0.521 68.302 68.868 -0.076 0.000 0.883 1528 T HN 0.517 nan 8.240 nan 0.000 0.493 1529 Y N 1.050 121.362 120.300 0.021 0.000 2.555 1529 Y HA 0.517 5.066 4.550 -0.003 0.000 0.259 1529 Y C 1.803 177.644 175.900 -0.098 0.000 1.179 1529 Y CA -0.662 57.406 58.100 -0.053 0.000 1.230 1529 Y CB 0.057 38.415 38.460 -0.169 0.000 1.146 1529 Y HN 0.361 nan 8.280 nan 0.000 0.526 1530 G N 0.821 109.635 108.800 0.024 0.000 2.160 1530 G HA2 -0.268 3.691 3.960 -0.003 0.000 0.244 1530 G HA3 -0.268 3.691 3.960 -0.003 0.000 0.244 1530 G C -0.266 174.620 174.900 -0.022 0.000 1.022 1530 G CA -0.155 44.951 45.100 0.010 0.000 0.741 1530 G HN 0.278 nan 8.290 nan 0.000 0.508 1531 L N 1.054 122.247 121.223 -0.049 0.000 2.322 1531 L HA 0.688 5.027 4.340 -0.003 0.000 0.279 1531 L C 1.204 178.058 176.870 -0.027 0.000 1.036 1531 L CA -0.274 54.521 54.840 -0.075 0.000 0.807 1531 L CB 1.749 43.717 42.059 -0.151 0.000 1.226 1531 L HN 0.376 nan 8.230 nan 0.000 0.433 1532 T N -1.012 113.535 114.554 -0.012 0.000 2.912 1532 T HA 0.286 4.634 4.350 -0.003 0.000 0.280 1532 T C 1.391 176.090 174.700 -0.003 0.000 0.989 1532 T CA -0.788 61.312 62.100 0.000 0.000 0.995 1532 T CB 1.162 70.041 68.868 0.018 0.000 1.077 1532 T HN 0.359 nan 8.240 nan 0.000 0.531 1533 I N 0.846 121.413 120.570 -0.006 0.000 2.248 1533 I HA -0.143 4.025 4.170 -0.003 0.000 0.248 1533 I C 1.814 177.935 176.117 0.007 0.000 1.107 1533 I CA 1.560 62.854 61.300 -0.010 0.000 1.373 1533 I CB -0.918 37.071 38.000 -0.018 0.000 1.055 1533 I HN 0.747 nan 8.210 nan 0.000 0.418 1534 D N 0.508 120.924 120.400 0.027 0.000 2.350 1534 D HA -0.146 4.492 4.640 -0.003 0.000 0.216 1534 D C 1.467 177.802 176.300 0.058 0.000 0.968 1534 D CA 0.747 54.773 54.000 0.043 0.000 0.894 1534 D CB -0.017 40.839 40.800 0.094 0.000 0.909 1534 D HN 0.375 nan 8.370 nan 0.000 0.520 1535 D N 0.297 120.724 120.400 0.045 0.000 2.234 1535 D HA -0.045 4.594 4.640 -0.003 0.000 0.205 1535 D C 0.997 177.327 176.300 0.050 0.000 0.962 1535 D CA -0.045 53.987 54.000 0.053 0.000 0.855 1535 D CB 0.051 40.863 40.800 0.020 0.000 0.951 1535 D HN 0.147 nan 8.370 nan 0.000 0.500 1536 L N 1.431 122.670 121.223 0.027 0.000 2.704 1536 L HA 0.120 4.458 4.340 -0.003 0.000 0.279 1536 L C 1.403 178.301 176.870 0.047 0.000 1.147 1536 L CA 0.086 54.939 54.840 0.023 0.000 0.994 1536 L CB 0.453 42.512 42.059 -0.001 0.000 1.332 1536 L HN -0.091 nan 8.230 nan 0.000 0.471 1537 G N 3.862 112.703 108.800 0.068 0.000 2.441 1537 G HA2 0.086 4.044 3.960 -0.003 0.000 0.212 1537 G HA3 0.086 4.044 3.960 -0.003 0.000 0.212 1537 G C 0.273 175.225 174.900 0.086 0.000 1.164 1537 G CA 0.205 45.364 45.100 0.097 0.000 0.811 1537 G HN 0.388 nan 8.290 nan 0.000 0.535 1538 V N 0.801 120.751 119.914 0.061 0.000 2.555 1538 V HA 0.717 4.836 4.120 -0.003 0.000 0.302 1538 V C -0.310 175.787 176.094 0.004 0.000 1.038 1538 V CA -0.856 61.472 62.300 0.047 0.000 0.887 1538 V CB 1.561 33.414 31.823 0.050 0.000 0.991 1538 V HN 0.391 nan 8.190 nan 0.000 0.434 1539 A N 2.945 125.762 122.820 -0.005 0.000 2.267 1539 A HA 0.614 4.932 4.320 -0.003 0.000 0.315 1539 A C 0.135 177.662 177.584 -0.095 0.000 1.297 1539 A CA -0.307 51.665 52.037 -0.108 0.000 0.865 1539 A CB 1.040 19.924 19.000 -0.194 0.000 1.165 1539 A HN 0.724 nan 8.150 nan 0.000 0.513 1540 S N 3.139 118.774 115.700 -0.109 0.000 2.416 1540 S HA 0.468 4.936 4.470 -0.003 0.000 0.302 1540 S C -0.379 174.174 174.600 -0.078 0.000 1.120 1540 S CA -0.251 57.916 58.200 -0.055 0.000 1.067 1540 S CB -0.905 62.290 63.200 -0.008 0.000 1.057 1540 S HN 0.374 nan 8.310 nan 0.000 0.518 1541 F N 3.362 123.186 119.950 -0.210 0.000 2.418 1541 F HA 0.251 4.777 4.527 -0.003 0.000 0.341 1541 F C 1.740 177.594 175.800 0.090 0.000 1.120 1541 F CA -0.147 57.807 58.000 -0.076 0.000 1.232 1541 F CB 0.487 39.382 39.000 -0.175 0.000 1.175 1541 F HN 0.659 nan 8.300 nan 0.000 0.569 1542 H N 2.304 121.491 119.070 0.196 0.000 2.267 1542 H HA -0.002 4.553 4.556 -0.003 0.000 0.297 1542 H C 1.433 176.857 175.328 0.160 0.000 1.080 1542 H CA 1.170 57.289 56.048 0.118 0.000 1.278 1542 H CB -0.676 29.146 29.762 0.101 0.000 1.365 1542 H HN 0.721 nan 8.280 nan 0.000 0.489 1543 G N 0.128 109.127 108.800 0.330 0.000 2.296 1543 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.263 1543 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.263 1543 G C 0.879 175.826 174.900 0.079 0.000 0.887 1543 G CA 0.756 46.055 45.100 0.331 0.000 1.318 1543 G HN 0.556 nan 8.290 nan 0.000 0.403 1544 T N -0.159 114.363 114.554 -0.054 0.000 2.985 1544 T HA 0.175 4.523 4.350 -0.003 0.000 0.266 1544 T C 1.787 176.517 174.700 0.051 0.000 1.076 1544 T CA 1.753 63.771 62.100 -0.136 0.000 1.135 1544 T CB 0.000 68.768 68.868 -0.168 0.000 0.890 1544 T HN 2.025 nan 8.240 nan 0.000 0.480 1545 S N 0.749 116.473 115.700 0.041 0.000 3.034 1545 S HA -0.145 4.324 4.470 -0.003 0.000 0.273 1545 S C 0.327 174.950 174.600 0.038 0.000 1.337 1545 S CA 0.726 58.946 58.200 0.033 0.000 0.994 1545 S CB -2.201 61.040 63.200 0.069 0.000 1.228 1545 S HN 0.816 nan 8.310 nan 0.000 0.696 1546 T N -0.565 114.019 114.554 0.051 0.000 2.922 1546 T HA 0.611 4.959 4.350 -0.003 0.000 0.285 1546 T C 0.885 175.583 174.700 -0.004 0.000 1.005 1546 T CA -0.297 61.830 62.100 0.045 0.000 1.061 1546 T CB 1.488 70.409 68.868 0.088 0.000 1.007 1546 T HN 0.269 nan 8.240 nan 0.000 0.502 1547 K N 0.715 121.108 120.400 -0.011 0.000 2.062 1547 K HA 0.061 4.380 4.320 -0.003 0.000 0.205 1547 K C 2.609 179.195 176.600 -0.024 0.000 1.051 1547 K CA 1.123 57.395 56.287 -0.025 0.000 0.941 1547 K CB -0.612 31.874 32.500 -0.024 0.000 0.719 1547 K HN 0.740 nan 8.250 nan 0.000 0.440 1548 A N 1.682 124.490 122.820 -0.020 0.000 1.859 1548 A HA -0.336 3.982 4.320 -0.003 0.000 0.218 1548 A C 1.936 179.485 177.584 -0.059 0.000 1.209 1548 A CA 2.414 54.432 52.037 -0.031 0.000 0.639 1548 A CB -1.172 17.810 19.000 -0.031 0.000 0.835 1548 A HN 0.479 nan 8.150 nan 0.000 0.450 1549 N N -0.661 117.997 118.700 -0.069 0.000 2.039 1549 N HA -0.185 4.553 4.740 -0.003 0.000 0.193 1549 N C 1.352 176.792 175.510 -0.116 0.000 1.044 1549 N CA 1.881 54.856 53.050 -0.125 0.000 0.847 1549 N CB -0.261 38.173 38.487 -0.089 0.000 1.030 1549 N HN 0.407 nan 8.380 nan 0.000 0.422 1550 D N 0.096 120.464 120.400 -0.054 0.000 2.116 1550 D HA -0.199 4.439 4.640 -0.003 0.000 0.193 1550 D C 1.746 178.023 176.300 -0.038 0.000 0.998 1550 D CA 1.056 55.042 54.000 -0.024 0.000 0.836 1550 D CB -0.278 40.483 40.800 -0.065 0.000 0.951 1550 D HN 0.407 nan 8.370 nan 0.000 0.449 1551 K N 0.535 120.909 120.400 -0.044 0.000 1.985 1551 K HA -0.221 4.097 4.320 -0.003 0.000 0.210 1551 K C 1.935 178.485 176.600 -0.084 0.000 1.047 1551 K CA 1.569 57.843 56.287 -0.022 0.000 0.932 1551 K CB -0.164 32.363 32.500 0.045 0.000 0.716 1551 K HN -0.041 nan 8.250 nan 0.000 0.439 1552 N N 0.880 119.531 118.700 -0.081 0.000 2.021 1552 N HA -0.286 4.453 4.740 -0.003 0.000 0.198 1552 N C 1.766 177.182 175.510 -0.157 0.000 1.041 1552 N CA 2.303 55.290 53.050 -0.105 0.000 0.862 1552 N CB -0.241 38.165 38.487 -0.135 0.000 1.048 1552 N HN 0.411 nan 8.380 nan 0.000 0.427 1553 E N -0.655 119.408 120.200 -0.227 0.000 2.085 1553 E HA -0.171 4.178 4.350 -0.003 0.000 0.194 1553 E C 1.798 178.447 176.600 0.082 0.000 0.994 1553 E CA 1.375 57.675 56.400 -0.166 0.000 0.801 1553 E CB -0.167 29.451 29.700 -0.135 0.000 0.743 1553 E HN 0.391 nan 8.360 nan 0.000 0.453 1554 S N 0.178 115.917 115.700 0.064 0.000 2.348 1554 S HA -0.197 4.271 4.470 -0.003 0.000 0.221 1554 S C 2.027 176.318 174.600 -0.515 0.000 1.033 1554 S CA 1.074 59.227 58.200 -0.077 0.000 1.010 1554 S CB -0.393 62.623 63.200 -0.307 0.000 0.891 1554 S HN 0.511 nan 8.310 nan 0.000 0.442 1555 A N 0.861 123.195 122.820 -0.809 0.000 1.892 1555 A HA -0.212 4.106 4.320 -0.003 0.000 0.218 1555 A C 2.377 179.924 177.584 -0.061 0.000 1.188 1555 A CA 2.587 54.385 52.037 -0.398 0.000 0.631 1555 A CB -1.566 17.441 19.000 0.012 0.000 0.822 1555 A HN 0.574 nan 8.150 nan 0.000 0.447 1556 T N -1.353 113.179 114.554 -0.037 0.000 2.821 1556 T HA -0.081 4.267 4.350 -0.003 0.000 0.267 1556 T C 1.784 176.492 174.700 0.012 0.000 1.046 1556 T CA 1.448 63.564 62.100 0.027 0.000 1.139 1556 T CB -0.382 68.543 68.868 0.094 0.000 0.871 1556 T HN 0.218 nan 8.240 nan 0.000 0.454 1557 I N 2.110 122.677 120.570 -0.005 0.000 2.226 1557 I HA -0.075 4.094 4.170 -0.003 0.000 0.245 1557 I C 2.480 178.603 176.117 0.010 0.000 1.100 1557 I CA 1.386 62.665 61.300 -0.035 0.000 1.374 1557 I CB -1.669 36.270 38.000 -0.100 0.000 1.057 1557 I HN 0.407 nan 8.210 nan 0.000 0.413 1558 N N 1.044 119.778 118.700 0.057 0.000 2.104 1558 N HA -0.256 4.482 4.740 -0.003 0.000 0.190 1558 N C 1.812 177.339 175.510 0.028 0.000 1.024 1558 N CA 1.608 54.739 53.050 0.136 0.000 0.853 1558 N CB 0.029 38.709 38.487 0.322 0.000 1.008 1558 N HN 0.167 nan 8.380 nan 0.000 0.424 1559 E N 0.018 120.242 120.200 0.039 0.000 2.107 1559 E HA -0.090 4.259 4.350 -0.003 0.000 0.191 1559 E C 1.988 178.576 176.600 -0.021 0.000 0.982 1559 E CA 1.215 57.621 56.400 0.010 0.000 0.809 1559 E CB -0.200 29.518 29.700 0.029 0.000 0.756 1559 E HN 0.642 nan 8.360 nan 0.000 0.459 1560 M N -1.488 118.099 119.600 -0.023 0.000 2.296 1560 M HA -0.069 4.409 4.480 -0.003 0.000 0.265 1560 M C 1.707 177.978 176.300 -0.048 0.000 1.064 1560 M CA 1.168 56.459 55.300 -0.015 0.000 1.109 1560 M CB -0.244 32.339 32.600 -0.027 0.000 1.396 1560 M HN 0.008 nan 8.290 nan 0.000 0.430 1561 M N 1.206 120.734 119.600 -0.121 0.000 2.123 1561 M HA -0.019 4.460 4.480 -0.003 0.000 0.263 1561 M C 2.229 178.286 176.300 -0.404 0.000 1.069 1561 M CA 1.629 56.794 55.300 -0.225 0.000 1.133 1561 M CB -1.080 31.381 32.600 -0.230 0.000 1.356 1561 M HN 0.383 nan 8.290 nan 0.000 0.415 1562 K N -0.821 119.262 120.400 -0.529 0.000 2.032 1562 K HA -0.251 4.067 4.320 -0.003 0.000 0.209 1562 K C 2.113 178.636 176.600 -0.130 0.000 1.048 1562 K CA 1.774 57.770 56.287 -0.485 0.000 0.927 1562 K CB -0.217 32.121 32.500 -0.271 0.000 0.712 1562 K HN 0.239 nan 8.250 nan 0.000 0.441 1563 H N 0.394 119.395 119.070 -0.114 0.000 2.387 1563 H HA -0.017 4.538 4.556 -0.003 0.000 0.299 1563 H C 1.603 176.964 175.328 0.054 0.000 1.090 1563 H CA 1.556 57.608 56.048 0.008 0.000 1.332 1563 H CB 0.006 29.781 29.762 0.021 0.000 1.386 1563 H HN 0.134 nan 8.280 nan 0.000 0.516 1564 L N -1.289 119.910 121.223 -0.041 0.000 2.558 1564 L HA 0.181 4.519 4.340 -0.003 0.000 0.225 1564 L C 1.253 178.064 176.870 -0.099 0.000 1.128 1564 L CA 0.566 55.358 54.840 -0.080 0.000 0.868 1564 L CB 0.249 42.283 42.059 -0.041 0.000 1.006 1564 L HN 0.601 nan 8.230 nan 0.000 0.454 1565 G N 0.214 108.949 108.800 -0.108 0.000 2.141 1565 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.195 1565 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.195 1565 G C 0.110 175.002 174.900 -0.013 0.000 1.012 1565 G CA -0.641 44.414 45.100 -0.075 0.000 0.696 1565 G HN 0.076 nan 8.290 nan 0.000 0.508 1566 R N 1.047 121.536 120.500 -0.019 0.000 2.537 1566 R HA 0.234 4.573 4.340 -0.003 0.000 0.281 1566 R C 0.776 177.206 176.300 0.217 0.000 0.988 1566 R CA 0.473 56.626 56.100 0.088 0.000 1.077 1566 R CB 0.060 30.424 30.300 0.107 0.000 0.932 1566 R HN 0.369 nan 8.270 nan 0.000 0.409 1567 S N 3.898 119.653 115.700 0.091 0.000 2.544 1567 S HA -0.024 4.444 4.470 -0.003 0.000 0.290 1567 S C 0.089 174.682 174.600 -0.011 0.000 1.276 1567 S CA -0.141 58.094 58.200 0.057 0.000 1.075 1567 S CB 0.356 63.600 63.200 0.074 0.000 0.849 1567 S HN 0.355 nan 8.310 nan 0.000 0.494 1568 E N 1.239 121.452 120.200 0.022 0.000 2.558 1568 E HA 0.179 4.527 4.350 -0.003 0.000 0.255 1568 E C 1.241 177.762 176.600 -0.130 0.000 0.968 1568 E CA 0.795 57.132 56.400 -0.105 0.000 0.939 1568 E CB 0.246 29.930 29.700 -0.028 0.000 0.921 1568 E HN 1.018 nan 8.360 nan 0.000 0.477 1569 G N 3.887 112.564 108.800 -0.205 0.000 2.213 1569 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.226 1569 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.226 1569 G C 0.259 175.011 174.900 -0.247 0.000 0.992 1569 G CA 0.005 45.059 45.100 -0.076 0.000 0.632 1569 G HN 0.518 nan 8.290 nan 0.000 0.511 1570 N N 1.954 120.320 118.700 -0.557 0.000 2.955 1570 N HA 0.554 5.292 4.740 -0.003 0.000 0.242 1570 N C -2.562 172.853 175.510 -0.159 0.000 1.123 1570 N CA -1.847 50.802 53.050 -0.668 0.000 0.949 1570 N CB 1.478 39.187 38.487 -1.295 0.000 1.214 1570 N HN 0.201 nan 8.380 nan 0.000 0.504 1571 P HA 0.128 nan 4.420 nan 0.000 0.276 1571 P C -0.465 176.923 177.300 0.146 0.000 1.252 1571 P CA -0.678 62.503 63.100 0.135 0.000 0.802 1571 P CB 0.700 32.498 31.700 0.164 0.000 1.035 1572 V N -0.974 119.025 119.914 0.141 0.000 2.649 1572 V HA 0.363 4.481 4.120 -0.003 0.000 0.292 1572 V C 0.089 176.245 176.094 0.104 0.000 1.055 1572 V CA -0.391 61.978 62.300 0.114 0.000 1.023 1572 V CB -0.061 31.818 31.823 0.092 0.000 0.992 1572 V HN 0.263 nan 8.190 nan 0.000 0.480 1573 I N 4.583 125.216 120.570 0.104 0.000 2.312 1573 I HA 0.524 4.692 4.170 -0.003 0.000 0.291 1573 I C 1.055 177.205 176.117 0.055 0.000 1.031 1573 I CA 0.226 61.576 61.300 0.084 0.000 1.293 1573 I CB 1.009 39.079 38.000 0.116 0.000 1.403 1573 I HN 0.907 nan 8.210 nan 0.000 0.484 1574 G N 6.162 114.960 108.800 -0.002 0.000 2.332 1574 G HA2 0.537 4.496 3.960 -0.003 0.000 0.310 1574 G HA3 0.537 4.496 3.960 -0.003 0.000 0.310 1574 G C -0.332 174.408 174.900 -0.267 0.000 1.123 1574 G CA -0.400 44.651 45.100 -0.080 0.000 0.873 1574 G HN 0.507 nan 8.290 nan 0.000 0.460 1575 V N 0.310 120.055 119.914 -0.282 0.000 2.834 1575 V HA 0.841 4.959 4.120 -0.003 0.000 0.313 1575 V C -0.717 175.104 176.094 -0.454 0.000 1.060 1575 V CA -1.197 60.993 62.300 -0.183 0.000 0.989 1575 V CB 1.610 33.450 31.823 0.028 0.000 1.041 1575 V HN 0.544 nan 8.190 nan 0.000 0.459 1576 F N 1.986 122.077 119.950 0.234 0.000 2.627 1576 F HA 0.378 4.903 4.527 -0.003 0.000 0.344 1576 F C 1.300 177.324 175.800 0.373 0.000 1.505 1576 F CA -0.261 57.892 58.000 0.255 0.000 1.111 1576 F CB 1.075 40.175 39.000 0.167 0.000 1.585 1576 F HN 0.730 nan 8.300 nan 0.000 0.582 1577 Q N 1.142 121.182 119.800 0.400 0.000 2.439 1577 Q HA -0.133 4.206 4.340 -0.003 0.000 0.211 1577 Q C 1.290 177.421 176.000 0.219 0.000 0.978 1577 Q CA 1.253 57.245 55.803 0.316 0.000 0.897 1577 Q CB 0.185 29.053 28.738 0.217 0.000 0.956 1577 Q HN 0.293 nan 8.270 nan 0.000 0.483 1578 K N 0.700 121.259 120.400 0.265 0.000 2.360 1578 K HA -0.153 4.165 4.320 -0.003 0.000 0.201 1578 K C 1.696 178.424 176.600 0.214 0.000 1.046 1578 K CA 1.114 57.528 56.287 0.211 0.000 0.945 1578 K CB -0.410 32.166 32.500 0.127 0.000 0.750 1578 K HN 0.510 nan 8.250 nan 0.000 0.464 1579 F N -0.814 119.240 119.950 0.173 0.000 2.293 1579 F HA -0.027 4.499 4.527 -0.003 0.000 0.300 1579 F C 1.706 177.599 175.800 0.156 0.000 1.086 1579 F CA 0.737 58.822 58.000 0.141 0.000 1.375 1579 F CB -0.253 38.817 39.000 0.117 0.000 1.045 1579 F HN -0.113 nan 8.300 nan 0.000 0.516 1580 L N 0.319 121.070 121.223 -0.786 0.000 2.388 1580 L HA 0.038 4.376 4.340 -0.003 0.000 0.209 1580 L C 2.286 179.175 176.870 0.032 0.000 1.061 1580 L CA 1.337 55.795 54.840 -0.637 0.000 0.834 1580 L CB -0.242 41.210 42.059 -1.013 0.000 1.029 1580 L HN 0.416 nan 8.230 nan 0.000 0.473 1581 T N -3.408 111.194 114.554 0.081 0.000 3.037 1581 T HA 0.322 4.671 4.350 -0.003 0.000 0.251 1581 T C 1.071 175.961 174.700 0.316 0.000 1.079 1581 T CA 0.427 62.685 62.100 0.264 0.000 1.067 1581 T CB 0.317 69.366 68.868 0.302 0.000 0.948 1581 T HN 0.465 nan 8.240 nan 0.000 0.496 1582 G N 1.423 110.372 108.800 0.248 0.000 2.750 1582 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.228 1582 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.228 1582 G C -0.681 174.412 174.900 0.323 0.000 1.367 1582 G CA -0.086 45.169 45.100 0.259 0.000 0.871 1582 G HN 0.983 nan 8.290 nan 0.000 0.560 1583 H N 1.438 120.596 119.070 0.146 0.000 2.792 1583 H HA 0.597 5.152 4.556 -0.003 0.000 0.298 1583 H C -2.321 172.977 175.328 -0.049 0.000 1.042 1583 H CA -2.540 53.503 56.048 -0.009 0.000 1.300 1583 H CB 1.579 31.249 29.762 -0.153 0.000 1.431 1583 H HN 0.346 nan 8.280 nan 0.000 0.496 1584 P HA 0.085 nan 4.420 nan 0.000 0.241 1584 P C 0.571 177.699 177.300 -0.286 0.000 1.780 1584 P CA -0.580 62.371 63.100 -0.248 0.000 1.111 1584 P CB 0.605 31.953 31.700 -0.586 0.000 1.852 1585 K N 1.877 122.035 120.400 -0.403 0.000 2.097 1585 K HA -0.287 4.031 4.320 -0.003 0.000 0.217 1585 K C 1.752 178.301 176.600 -0.085 0.000 0.806 1585 K CA 2.574 58.667 56.287 -0.322 0.000 1.017 1585 K CB -2.519 29.897 32.500 -0.140 0.000 0.803 1585 K HN 0.408 nan 8.250 nan 0.000 0.628 1586 G N 0.427 109.172 108.800 -0.092 0.000 2.572 1586 G HA2 0.108 4.066 3.960 -0.003 0.000 0.216 1586 G HA3 0.108 4.066 3.960 -0.003 0.000 0.216 1586 G C 1.622 176.428 174.900 -0.156 0.000 1.133 1586 G CA 0.878 45.918 45.100 -0.100 0.000 0.791 1586 G HN 0.638 nan 8.290 nan 0.000 0.538 1587 A N 0.625 123.290 122.820 -0.259 0.000 2.169 1587 A HA 0.582 4.901 4.320 -0.003 0.000 0.212 1587 A C 2.588 179.844 177.584 -0.546 0.000 1.153 1587 A CA 1.378 53.142 52.037 -0.455 0.000 0.756 1587 A CB -0.315 18.230 19.000 -0.759 0.000 0.813 1587 A HN 0.512 nan 8.150 nan 0.000 0.471 1588 A N 0.305 122.949 122.820 -0.292 0.000 1.852 1588 A HA -0.018 4.300 4.320 -0.003 0.000 0.217 1588 A C 2.466 180.061 177.584 0.019 0.000 1.215 1588 A CA 2.159 54.139 52.037 -0.095 0.000 0.641 1588 A CB -1.631 17.457 19.000 0.148 0.000 0.838 1588 A HN 0.869 nan 8.150 nan 0.000 0.450 1589 G N -0.921 107.908 108.800 0.048 0.000 2.503 1589 G HA2 -0.087 3.871 3.960 -0.003 0.000 0.221 1589 G HA3 -0.087 3.871 3.960 -0.003 0.000 0.221 1589 G C 1.685 176.622 174.900 0.062 0.000 1.131 1589 G CA 1.894 47.025 45.100 0.052 0.000 0.756 1589 G HN 0.960 nan 8.290 nan 0.000 0.572 1590 A N -0.061 122.792 122.820 0.056 0.000 1.872 1590 A HA 0.073 4.391 4.320 -0.003 0.000 0.214 1590 A C 2.153 179.902 177.584 0.275 0.000 1.187 1590 A CA 1.454 53.569 52.037 0.130 0.000 0.614 1590 A CB -0.633 18.455 19.000 0.146 0.000 0.826 1590 A HN 0.400 nan 8.150 nan 0.000 0.442 1591 W N 0.149 121.491 121.300 0.071 0.000 2.325 1591 W HA -0.150 4.508 4.660 -0.003 0.000 0.299 1591 W C 2.349 178.895 176.519 0.045 0.000 1.215 1591 W CA 1.353 58.744 57.345 0.077 0.000 1.244 1591 W CB -0.968 28.553 29.460 0.101 0.000 1.140 1591 W HN 0.318 nan 8.180 nan 0.000 0.523 1592 M N -1.273 118.492 119.600 0.275 0.000 2.349 1592 M HA -0.117 4.361 4.480 -0.003 0.000 0.266 1592 M C 2.077 178.405 176.300 0.046 0.000 1.076 1592 M CA 1.207 56.599 55.300 0.153 0.000 1.126 1592 M CB -0.609 32.075 32.600 0.139 0.000 1.392 1592 M HN -0.123 nan 8.290 nan 0.000 0.440 1593 M N 0.937 120.549 119.600 0.021 0.000 2.254 1593 M HA -0.046 4.433 4.480 -0.003 0.000 0.265 1593 M C 1.417 177.580 176.300 -0.228 0.000 1.066 1593 M CA 1.741 56.993 55.300 -0.079 0.000 1.123 1593 M CB -0.289 32.279 32.600 -0.053 0.000 1.388 1593 M HN 0.066 nan 8.290 nan 0.000 0.425 1594 N N 0.456 119.028 118.700 -0.214 0.000 2.062 1594 N HA -0.012 4.726 4.740 -0.003 0.000 0.191 1594 N C 1.814 177.071 175.510 -0.422 0.000 1.042 1594 N CA 1.820 54.565 53.050 -0.508 0.000 0.845 1594 N CB -1.299 37.112 38.487 -0.127 0.000 1.024 1594 N HN 0.540 nan 8.380 nan 0.000 0.424 1595 G N 0.426 109.151 108.800 -0.127 0.000 2.462 1595 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.220 1595 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.220 1595 G C 1.582 176.405 174.900 -0.128 0.000 1.121 1595 G CA 1.244 46.323 45.100 -0.036 0.000 0.758 1595 G HN 0.471 nan 8.290 nan 0.000 0.559 1596 A N 0.582 123.316 122.820 -0.144 0.000 1.873 1596 A HA 0.157 4.475 4.320 -0.003 0.000 0.215 1596 A C 2.421 179.875 177.584 -0.217 0.000 1.186 1596 A CA 1.122 53.079 52.037 -0.134 0.000 0.616 1596 A CB -0.378 18.558 19.000 -0.107 0.000 0.823 1596 A HN 0.338 nan 8.150 nan 0.000 0.442 1597 L N -0.473 120.542 121.223 -0.345 0.000 2.042 1597 L HA -0.279 4.060 4.340 -0.003 0.000 0.210 1597 L C 2.892 179.550 176.870 -0.353 0.000 1.076 1597 L CA 1.710 56.328 54.840 -0.369 0.000 0.749 1597 L CB -0.736 40.956 42.059 -0.612 0.000 0.893 1597 L HN 0.518 nan 8.230 nan 0.000 0.432 1598 Q N -0.191 119.292 119.800 -0.529 0.000 2.167 1598 Q HA -0.163 4.175 4.340 -0.003 0.000 0.202 1598 Q C 2.304 177.874 176.000 -0.718 0.000 0.970 1598 Q CA 1.232 56.566 55.803 -0.781 0.000 0.855 1598 Q CB -0.072 27.803 28.738 -1.437 0.000 0.911 1598 Q HN 0.561 nan 8.270 nan 0.000 0.438 1599 I N 0.771 121.079 120.570 -0.436 0.000 2.202 1599 I HA -0.278 3.890 4.170 -0.003 0.000 0.242 1599 I C 2.290 178.392 176.117 -0.024 0.000 1.091 1599 I CA 1.060 62.310 61.300 -0.083 0.000 1.368 1599 I CB -0.228 37.795 38.000 0.039 0.000 1.058 1599 I HN 0.240 nan 8.210 nan 0.000 0.410 1600 L N 0.516 121.701 121.223 -0.063 0.000 2.013 1600 L HA -0.266 4.072 4.340 -0.003 0.000 0.212 1600 L C 1.857 178.732 176.870 0.008 0.000 1.073 1600 L CA 1.574 56.409 54.840 -0.008 0.000 0.753 1600 L CB -0.652 41.335 42.059 -0.121 0.000 0.890 1600 L HN 0.387 nan 8.230 nan 0.000 0.432 1601 N N -0.838 117.817 118.700 -0.074 0.000 2.461 1601 N HA -0.056 4.683 4.740 -0.003 0.000 0.188 1601 N C 1.514 177.076 175.510 0.087 0.000 1.134 1601 N CA 1.073 54.121 53.050 -0.004 0.000 0.878 1601 N CB 0.443 38.930 38.487 -0.000 0.000 0.972 1601 N HN 0.371 nan 8.380 nan 0.000 0.456 1602 S N -1.868 113.888 115.700 0.093 0.000 2.628 1602 S HA 0.243 4.711 4.470 -0.003 0.000 0.246 1602 S C 1.412 176.121 174.600 0.183 0.000 1.062 1602 S CA 0.600 58.902 58.200 0.171 0.000 1.028 1602 S CB 0.610 63.965 63.200 0.259 0.000 0.985 1602 S HN 0.210 nan 8.310 nan 0.000 0.551 1603 G N 1.642 110.538 108.800 0.160 0.000 2.196 1603 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.268 1603 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.268 1603 G C 0.020 174.982 174.900 0.104 0.000 0.975 1603 G CA 0.666 45.845 45.100 0.133 0.000 0.648 1603 G HN 0.652 nan 8.290 nan 0.000 0.538 1604 I N 1.117 121.790 120.570 0.172 0.000 2.331 1604 I HA 0.449 4.617 4.170 -0.003 0.000 0.292 1604 I C 0.473 176.693 176.117 0.173 0.000 0.998 1604 I CA -0.744 60.646 61.300 0.150 0.000 1.267 1604 I CB 1.262 39.371 38.000 0.182 0.000 1.386 1604 I HN -0.041 nan 8.210 nan 0.000 0.476 1605 I N 8.417 129.030 120.570 0.072 0.000 2.328 1605 I HA 0.329 4.498 4.170 -0.003 0.000 0.287 1605 I C -2.292 173.837 176.117 0.021 0.000 1.012 1605 I CA -1.986 59.362 61.300 0.080 0.000 1.195 1605 I CB 1.107 39.144 38.000 0.061 0.000 1.350 1605 I HN 0.245 nan 8.210 nan 0.000 0.464 1606 P HA 0.166 nan 4.420 nan 0.000 0.272 1606 P C -0.026 177.275 177.300 0.003 0.000 1.240 1606 P CA -0.288 62.761 63.100 -0.084 0.000 0.791 1606 P CB 0.705 32.339 31.700 -0.110 0.000 0.978 1607 G N 0.595 109.381 108.800 -0.023 0.000 2.379 1607 G HA2 0.209 4.168 3.960 -0.003 0.000 0.327 1607 G HA3 0.209 4.168 3.960 -0.003 0.000 0.327 1607 G C -0.261 174.554 174.900 -0.141 0.000 1.145 1607 G CA -0.409 44.676 45.100 -0.024 0.000 0.905 1607 G HN 0.417 nan 8.290 nan 0.000 0.466 1608 N N 1.606 120.224 118.700 -0.137 0.000 2.383 1608 N HA -0.044 4.694 4.740 -0.003 0.000 0.295 1608 N C 1.492 176.630 175.510 -0.620 0.000 1.281 1608 N CA -0.040 52.722 53.050 -0.480 0.000 1.048 1608 N CB 0.112 38.567 38.487 -0.053 0.000 1.455 1608 N HN 0.533 nan 8.380 nan 0.000 0.488 1609 R N 1.903 121.819 120.500 -0.974 0.000 2.328 1609 R HA 0.040 4.378 4.340 -0.003 0.000 0.207 1609 R C 0.345 176.470 176.300 -0.291 0.000 1.056 1609 R CA 0.666 56.507 56.100 -0.432 0.000 1.016 1609 R CB 0.026 30.235 30.300 -0.151 0.000 0.872 1609 R HN 0.605 nan 8.270 nan 0.000 0.471 1610 N N -0.072 118.382 118.700 -0.410 0.000 2.214 1610 N HA 0.108 4.846 4.740 -0.003 0.000 0.214 1610 N C -0.598 174.860 175.510 -0.086 0.000 1.132 1610 N CA -0.384 52.598 53.050 -0.112 0.000 0.856 1610 N CB 1.017 39.535 38.487 0.053 0.000 1.020 1610 N HN 0.039 nan 8.380 nan 0.000 0.509 1611 A N 1.591 124.352 122.820 -0.098 0.000 3.004 1611 A HA 0.050 4.368 4.320 -0.003 0.000 0.286 1611 A C 1.024 178.701 177.584 0.155 0.000 1.632 1611 A CA -0.523 51.524 52.037 0.018 0.000 1.339 1611 A CB -0.180 18.872 19.000 0.088 0.000 1.136 1611 A HN 0.306 nan 8.150 nan 0.000 0.577 1612 D N 0.916 121.391 120.400 0.126 0.000 2.117 1612 D HA -0.135 4.504 4.640 -0.003 0.000 0.197 1612 D C 0.233 176.772 176.300 0.399 0.000 0.987 1612 D CA 1.177 55.327 54.000 0.251 0.000 0.829 1612 D CB 0.002 40.903 40.800 0.167 0.000 0.961 1612 D HN 0.470 nan 8.370 nan 0.000 0.460 1613 N N -0.675 118.164 118.700 0.231 0.000 2.616 1613 N HA 0.181 4.920 4.740 -0.003 0.000 0.281 1613 N C -1.685 173.802 175.510 -0.039 0.000 1.145 1613 N CA -0.416 52.747 53.050 0.188 0.000 0.919 1613 N CB 2.275 40.782 38.487 0.032 0.000 1.509 1613 N HN -0.222 nan 8.380 nan 0.000 0.537 1614 V N 1.972 121.749 119.914 -0.228 0.000 2.529 1614 V HA 0.035 4.153 4.120 -0.003 0.000 0.292 1614 V C 0.588 176.577 176.094 -0.175 0.000 1.028 1614 V CA -0.197 61.872 62.300 -0.384 0.000 1.074 1614 V CB 0.519 31.912 31.823 -0.717 0.000 0.958 1614 V HN 0.652 nan 8.190 nan 0.000 0.481 1615 D N 4.065 124.367 120.400 -0.164 0.000 2.520 1615 D HA -0.073 4.565 4.640 -0.003 0.000 0.243 1615 D C 1.117 177.470 176.300 0.089 0.000 1.160 1615 D CA 0.125 54.094 54.000 -0.051 0.000 0.877 1615 D CB 0.836 41.579 40.800 -0.095 0.000 1.150 1615 D HN 0.578 nan 8.370 nan 0.000 0.494 1616 K N 3.814 124.290 120.400 0.128 0.000 2.218 1616 K HA -0.155 4.163 4.320 -0.003 0.000 0.205 1616 K C 1.686 178.255 176.600 -0.051 0.000 1.046 1616 K CA 1.039 57.412 56.287 0.145 0.000 0.933 1616 K CB -0.319 32.240 32.500 0.098 0.000 0.728 1616 K HN 0.511 nan 8.250 nan 0.000 0.454 1617 I N 0.807 121.359 120.570 -0.029 0.000 2.151 1617 I HA -0.269 3.899 4.170 -0.003 0.000 0.243 1617 I C 1.726 177.795 176.117 -0.080 0.000 1.080 1617 I CA 1.351 62.617 61.300 -0.058 0.000 1.339 1617 I CB -0.325 37.681 38.000 0.010 0.000 1.039 1617 I HN 0.137 nan 8.210 nan 0.000 0.409 1618 L N 0.118 121.376 121.223 0.059 0.000 2.642 1618 L HA -0.188 4.150 4.340 -0.003 0.000 0.236 1618 L C 2.250 179.155 176.870 0.059 0.000 1.169 1618 L CA 0.699 55.700 54.840 0.268 0.000 0.851 1618 L CB -0.754 41.398 42.059 0.155 0.000 0.968 1618 L HN 0.384 nan 8.230 nan 0.000 0.453 1619 E N 0.783 120.710 120.200 -0.454 0.000 2.150 1619 E HA -0.255 4.094 4.350 -0.003 0.000 0.193 1619 E C 2.123 178.419 176.600 -0.508 0.000 0.985 1619 E CA 1.001 56.830 56.400 -0.952 0.000 0.814 1619 E CB 0.126 28.906 29.700 -1.534 0.000 0.752 1619 E HN 0.699 nan 8.360 nan 0.000 0.466 1620 Q N -0.457 119.037 119.800 -0.509 0.000 2.291 1620 Q HA -0.140 4.199 4.340 -0.003 0.000 0.206 1620 Q C 0.124 175.875 176.000 -0.414 0.000 0.976 1620 Q CA 0.857 56.352 55.803 -0.514 0.000 0.875 1620 Q CB -0.369 27.956 28.738 -0.687 0.000 0.927 1620 Q HN 0.150 nan 8.270 nan 0.000 0.450 1621 F N 2.482 122.450 119.950 0.029 0.000 2.605 1621 F HA 0.245 4.770 4.527 -0.003 0.000 0.352 1621 F C 0.642 176.523 175.800 0.136 0.000 1.236 1621 F CA -0.585 57.493 58.000 0.131 0.000 1.267 1621 F CB 0.196 39.313 39.000 0.195 0.000 1.632 1621 F HN 0.065 nan 8.300 nan 0.000 0.639 1622 E N 0.276 120.585 120.200 0.183 0.000 2.472 1622 E HA -0.176 4.173 4.350 -0.003 0.000 0.200 1622 E C 0.613 177.176 176.600 -0.061 0.000 1.046 1622 E CA 0.885 57.295 56.400 0.017 0.000 0.871 1622 E CB -0.050 29.583 29.700 -0.111 0.000 0.806 1622 E HN 0.682 nan 8.360 nan 0.000 0.533 1623 Y N -0.153 120.234 120.300 0.145 0.000 2.468 1623 Y HA 0.098 4.646 4.550 -0.003 0.000 0.268 1623 Y C 0.340 176.303 175.900 0.106 0.000 1.177 1623 Y CA -0.193 57.973 58.100 0.110 0.000 1.265 1623 Y CB 0.847 39.363 38.460 0.094 0.000 1.103 1623 Y HN -0.218 nan 8.280 nan 0.000 0.522 1624 V N 1.743 121.785 119.914 0.214 0.000 2.604 1624 V HA 0.344 4.462 4.120 -0.003 0.000 0.305 1624 V C -0.597 175.444 176.094 -0.088 0.000 1.043 1624 V CA -1.147 61.175 62.300 0.037 0.000 0.888 1624 V CB 2.729 34.524 31.823 -0.047 0.000 0.995 1624 V HN -0.028 nan 8.190 nan 0.000 0.429 1625 L N 4.938 126.050 121.223 -0.185 0.000 2.349 1625 L HA 0.581 4.919 4.340 -0.003 0.000 0.278 1625 L C -1.670 175.093 176.870 -0.179 0.000 0.996 1625 L CA -0.540 54.240 54.840 -0.100 0.000 0.825 1625 L CB 1.716 43.792 42.059 0.028 0.000 1.243 1625 L HN 0.679 nan 8.230 nan 0.000 0.412 1626 Y N 5.119 125.445 120.300 0.042 0.000 2.717 1626 Y HA 0.382 4.931 4.550 -0.003 0.000 0.329 1626 Y C -2.108 173.837 175.900 0.075 0.000 1.017 1626 Y CA -2.697 55.454 58.100 0.084 0.000 1.275 1626 Y CB 0.526 38.960 38.460 -0.045 0.000 1.109 1626 Y HN 0.450 nan 8.280 nan 0.000 0.511 1627 P HA 0.136 nan 4.420 nan 0.000 0.284 1627 P C 0.506 177.956 177.300 0.249 0.000 1.253 1627 P CA -0.373 62.871 63.100 0.240 0.000 0.800 1627 P CB 1.613 33.408 31.700 0.159 0.000 0.961 1628 S N 1.472 117.341 115.700 0.281 0.000 2.535 1628 S HA 0.100 4.568 4.470 -0.003 0.000 0.214 1628 S C 0.454 175.023 174.600 -0.053 0.000 0.980 1628 S CA 0.001 58.249 58.200 0.080 0.000 0.907 1628 S CB -0.430 62.720 63.200 -0.084 0.000 0.790 1628 S HN 0.537 nan 8.310 nan 0.000 0.510 1629 K N 0.239 120.632 120.400 -0.012 0.000 2.477 1629 K HA 0.499 4.818 4.320 -0.003 0.000 0.255 1629 K C -1.282 175.312 176.600 -0.011 0.000 0.952 1629 K CA -0.663 55.599 56.287 -0.042 0.000 0.826 1629 K CB 1.150 33.612 32.500 -0.063 0.000 1.331 1629 K HN -0.139 nan 8.250 nan 0.000 0.437 1630 T N 2.660 117.192 114.554 -0.036 0.000 2.888 1630 T HA 0.158 4.506 4.350 -0.003 0.000 0.301 1630 T C -0.117 174.583 174.700 -0.000 0.000 1.001 1630 T CA -0.088 61.986 62.100 -0.043 0.000 1.147 1630 T CB -0.091 68.711 68.868 -0.110 0.000 0.931 1630 T HN 0.327 nan 8.240 nan 0.000 0.541 1631 L N 3.954 125.183 121.223 0.011 0.000 2.298 1631 L HA 0.436 4.775 4.340 -0.003 0.000 0.284 1631 L C 0.480 177.330 176.870 -0.034 0.000 1.013 1631 L CA -0.711 54.143 54.840 0.023 0.000 0.824 1631 L CB 1.145 43.235 42.059 0.051 0.000 1.221 1631 L HN 0.486 nan 8.230 nan 0.000 0.418 1632 K N 3.344 123.746 120.400 0.003 0.000 2.250 1632 K HA 0.248 4.566 4.320 -0.003 0.000 0.285 1632 K C 0.196 176.769 176.600 -0.045 0.000 1.097 1632 K CA -0.292 56.004 56.287 0.016 0.000 0.913 1632 K CB 0.711 33.248 32.500 0.062 0.000 1.179 1632 K HN 0.697 nan 8.250 nan 0.000 0.462 1633 T N -0.050 114.347 114.554 -0.261 0.000 2.849 1633 T HA 0.132 4.481 4.350 -0.003 0.000 0.276 1633 T C 0.805 175.473 174.700 -0.054 0.000 0.971 1633 T CA -0.453 61.204 62.100 -0.738 0.000 0.949 1633 T CB 1.009 69.416 68.868 -0.769 0.000 1.093 1633 T HN 0.615 nan 8.240 nan 0.000 0.545 1634 D N -1.402 119.034 120.400 0.061 0.000 2.328 1634 D HA 0.348 4.986 4.640 -0.003 0.000 0.221 1634 D C 0.728 177.157 176.300 0.215 0.000 1.072 1634 D CA -0.088 54.078 54.000 0.278 0.000 0.850 1634 D CB -0.343 40.667 40.800 0.350 0.000 0.922 1634 D HN 1.053 nan 8.370 nan 0.000 0.516 1635 G N -1.071 107.819 108.800 0.151 0.000 2.378 1635 G HA2 0.369 4.328 3.960 -0.003 0.000 0.302 1635 G HA3 0.369 4.328 3.960 -0.003 0.000 0.302 1635 G C -1.886 173.096 174.900 0.137 0.000 1.669 1635 G CA -0.761 44.420 45.100 0.136 0.000 0.920 1635 G HN 0.077 nan 8.290 nan 0.000 0.697 1636 V N 1.921 121.926 119.914 0.152 0.000 2.495 1636 V HA 0.530 4.648 4.120 -0.003 0.000 0.298 1636 V C 1.088 177.305 176.094 0.204 0.000 1.031 1636 V CA -0.633 61.763 62.300 0.160 0.000 0.871 1636 V CB 1.752 33.656 31.823 0.136 0.000 0.988 1636 V HN 0.877 nan 8.190 nan 0.000 0.432 1637 R N 2.297 122.908 120.500 0.185 0.000 2.175 1637 R HA 0.607 4.945 4.340 -0.003 0.000 0.202 1637 R C 0.378 176.785 176.300 0.178 0.000 1.018 1637 R CA 0.926 57.165 56.100 0.231 0.000 1.029 1637 R CB 0.664 31.080 30.300 0.194 0.000 0.959 1637 R HN 0.808 nan 8.270 nan 0.000 0.480 1638 A N 0.042 122.923 122.820 0.102 0.000 2.532 1638 A HA 0.504 4.822 4.320 -0.003 0.000 0.296 1638 A C -1.293 176.306 177.584 0.025 0.000 1.058 1638 A CA -0.645 51.419 52.037 0.044 0.000 0.729 1638 A CB 1.450 20.453 19.000 0.004 0.000 1.285 1638 A HN -0.055 nan 8.150 nan 0.000 0.396 1639 V N 1.063 120.977 119.914 -0.000 0.000 2.732 1639 V HA 0.795 4.913 4.120 -0.003 0.000 0.310 1639 V C 0.566 176.634 176.094 -0.044 0.000 1.053 1639 V CA -0.290 61.999 62.300 -0.018 0.000 0.957 1639 V CB 2.062 33.870 31.823 -0.024 0.000 1.018 1639 V HN 1.084 nan 8.190 nan 0.000 0.452 1640 S N 3.907 119.568 115.700 -0.064 0.000 2.667 1640 S HA 0.549 5.018 4.470 -0.003 0.000 0.304 1640 S C -0.666 173.865 174.600 -0.115 0.000 1.135 1640 S CA -0.585 57.559 58.200 -0.094 0.000 1.125 1640 S CB -0.050 63.081 63.200 -0.114 0.000 0.996 1640 S HN 0.477 nan 8.310 nan 0.000 0.474 1641 I N 5.123 125.639 120.570 -0.090 0.000 2.436 1641 I HA 0.266 4.434 4.170 -0.003 0.000 0.289 1641 I C 0.805 176.863 176.117 -0.098 0.000 1.083 1641 I CA 0.002 61.257 61.300 -0.075 0.000 1.372 1641 I CB 0.893 38.863 38.000 -0.050 0.000 1.408 1641 I HN 0.625 nan 8.210 nan 0.000 0.516 1642 T N 2.250 116.747 114.554 -0.096 0.000 2.863 1642 T HA 0.796 5.144 4.350 -0.003 0.000 0.285 1642 T C -0.375 174.300 174.700 -0.043 0.000 1.009 1642 T CA -0.729 61.307 62.100 -0.106 0.000 0.989 1642 T CB 1.769 70.585 68.868 -0.087 0.000 1.004 1642 T HN 0.609 nan 8.240 nan 0.000 0.455 1643 S N 1.618 117.184 115.700 -0.223 0.000 2.541 1643 S HA 0.803 5.271 4.470 -0.003 0.000 0.271 1643 S C -1.623 172.663 174.600 -0.523 0.000 1.133 1643 S CA -0.964 56.968 58.200 -0.446 0.000 0.876 1643 S CB 1.051 63.983 63.200 -0.446 0.000 1.105 1643 S HN 0.590 nan 8.310 nan 0.000 0.470 1644 F N 0.757 120.239 119.950 -0.779 0.000 2.507 1644 F HA 0.829 5.355 4.527 -0.003 0.000 0.325 1644 F C 0.795 176.486 175.800 -0.182 0.000 1.116 1644 F CA -0.405 57.401 58.000 -0.324 0.000 0.930 1644 F CB 2.259 41.154 39.000 -0.175 0.000 1.146 1644 F HN 1.041 nan 8.300 nan 0.000 0.447 1645 G N 1.195 110.041 108.800 0.077 0.000 2.685 1645 G HA2 0.609 4.568 3.960 -0.003 0.000 0.298 1645 G HA3 0.609 4.568 3.960 -0.003 0.000 0.298 1645 G C -1.325 173.690 174.900 0.191 0.000 1.277 1645 G CA -0.721 44.488 45.100 0.181 0.000 0.986 1645 G HN 0.256 nan 8.290 nan 0.000 0.487 1646 F N 0.202 120.210 119.950 0.096 0.000 2.545 1646 F HA 0.381 4.907 4.527 -0.003 0.000 0.348 1646 F C 1.584 177.416 175.800 0.053 0.000 1.163 1646 F CA 1.429 59.483 58.000 0.090 0.000 1.331 1646 F CB 0.824 39.887 39.000 0.105 0.000 1.138 1646 F HN 0.916 nan 8.300 nan 0.000 0.602 1647 G N 1.778 110.699 108.800 0.201 0.000 2.225 1647 G HA2 -0.298 3.661 3.960 -0.003 0.000 0.264 1647 G HA3 -0.298 3.661 3.960 -0.003 0.000 0.264 1647 G C 0.229 175.167 174.900 0.064 0.000 1.060 1647 G CA 0.193 45.365 45.100 0.119 0.000 0.833 1647 G HN 0.802 nan 8.290 nan 0.000 0.498 1648 Q N -2.733 117.095 119.800 0.047 0.000 2.494 1648 Q HA -0.224 4.114 4.340 -0.003 0.000 0.266 1648 Q C 0.613 176.608 176.000 -0.009 0.000 1.053 1648 Q CA 1.650 57.464 55.803 0.018 0.000 1.029 1648 Q CB -1.006 27.738 28.738 0.010 0.000 1.423 1648 Q HN 0.642 nan 8.270 nan 0.000 0.516 1649 K N 1.508 121.908 120.400 -0.000 0.000 2.150 1649 K HA 0.338 4.657 4.320 -0.003 0.000 0.261 1649 K C 0.245 176.768 176.600 -0.128 0.000 1.127 1649 K CA 0.347 56.609 56.287 -0.041 0.000 0.989 1649 K CB 0.343 32.844 32.500 0.001 0.000 1.475 1649 K HN 0.318 nan 8.250 nan 0.000 0.391 1650 G N 0.695 109.374 108.800 -0.203 0.000 2.412 1650 G HA2 0.670 4.629 3.960 -0.003 0.000 0.318 1650 G HA3 0.670 4.629 3.960 -0.003 0.000 0.318 1650 G C -0.626 174.051 174.900 -0.372 0.000 1.146 1650 G CA -0.681 44.169 45.100 -0.416 0.000 0.882 1650 G HN 0.562 nan 8.290 nan 0.000 0.501 1651 G N -0.525 107.982 108.800 -0.489 0.000 2.768 1651 G HA2 0.524 4.483 3.960 -0.003 0.000 0.297 1651 G HA3 0.524 4.483 3.960 -0.003 0.000 0.297 1651 G C -1.427 173.286 174.900 -0.312 0.000 1.430 1651 G CA -0.490 44.416 45.100 -0.323 0.000 1.030 1651 G HN 0.723 nan 8.290 nan 0.000 0.553 1652 Q N 0.141 119.812 119.800 -0.216 0.000 2.413 1652 Q HA 0.808 5.147 4.340 -0.003 0.000 0.276 1652 Q C -1.019 174.910 176.000 -0.119 0.000 1.099 1652 Q CA -0.958 54.743 55.803 -0.171 0.000 0.814 1652 Q CB 2.512 31.155 28.738 -0.158 0.000 1.379 1652 Q HN 1.193 nan 8.270 nan 0.000 0.436 1653 A N 3.353 126.112 122.820 -0.101 0.000 2.455 1653 A HA 0.612 4.930 4.320 -0.003 0.000 0.300 1653 A C -1.513 176.029 177.584 -0.069 0.000 1.040 1653 A CA -0.610 51.382 52.037 -0.075 0.000 0.697 1653 A CB 1.261 20.221 19.000 -0.067 0.000 1.265 1653 A HN 0.609 nan 8.150 nan 0.000 0.407 1654 I N 3.009 123.547 120.570 -0.054 0.000 2.355 1654 I HA 0.352 4.520 4.170 -0.003 0.000 0.288 1654 I C -0.467 175.626 176.117 -0.041 0.000 0.999 1654 I CA -0.571 60.700 61.300 -0.048 0.000 1.163 1654 I CB 1.180 39.157 38.000 -0.039 0.000 1.316 1654 I HN 0.303 nan 8.210 nan 0.000 0.454 1655 V N 7.537 127.421 119.914 -0.050 0.000 2.347 1655 V HA 0.393 4.511 4.120 -0.003 0.000 0.280 1655 V C 0.270 176.333 176.094 -0.051 0.000 1.021 1655 V CA -0.665 61.600 62.300 -0.058 0.000 0.847 1655 V CB 2.152 33.930 31.823 -0.075 0.000 0.990 1655 V HN 0.415 nan 8.190 nan 0.000 0.444 1656 V N 4.154 124.024 119.914 -0.072 0.000 2.612 1656 V HA 0.342 4.460 4.120 -0.003 0.000 0.301 1656 V C 0.308 176.395 176.094 -0.013 0.000 1.046 1656 V CA -0.774 61.484 62.300 -0.071 0.000 0.946 1656 V CB 1.625 33.315 31.823 -0.222 0.000 1.003 1656 V HN 0.854 nan 8.190 nan 0.000 0.459 1657 H N 6.413 125.510 119.070 0.045 0.000 2.928 1657 H HA 0.066 4.620 4.556 -0.003 0.000 0.338 1657 H C -1.813 173.517 175.328 0.003 0.000 1.047 1657 H CA -1.179 54.910 56.048 0.069 0.000 1.435 1657 H CB 1.766 31.615 29.762 0.144 0.000 1.428 1657 H HN 0.355 nan 8.280 nan 0.000 0.590 1658 P HA -0.143 nan 4.420 nan 0.000 0.216 1658 P C 0.959 178.184 177.300 -0.124 0.000 1.150 1658 P CA 1.240 64.260 63.100 -0.134 0.000 0.843 1658 P CB 0.359 31.976 31.700 -0.138 0.000 0.787 1659 D N -2.037 118.527 120.400 0.273 0.000 2.309 1659 D HA -0.143 4.496 4.640 -0.003 0.000 0.212 1659 D C 1.648 177.871 176.300 -0.129 0.000 0.968 1659 D CA 0.954 55.035 54.000 0.135 0.000 0.882 1659 D CB -0.659 40.174 40.800 0.056 0.000 0.918 1659 D HN 0.324 nan 8.370 nan 0.000 0.503 1660 Y N 0.181 120.453 120.300 -0.046 0.000 2.421 1660 Y HA -0.085 4.463 4.550 -0.003 0.000 0.292 1660 Y C 2.160 178.012 175.900 -0.080 0.000 1.136 1660 Y CA 0.134 58.190 58.100 -0.073 0.000 1.255 1660 Y CB -0.062 38.311 38.460 -0.146 0.000 0.991 1660 Y HN -0.021 nan 8.280 nan 0.000 0.552 1661 L N -1.075 120.067 121.223 -0.136 0.000 2.072 1661 L HA -0.190 4.149 4.340 -0.003 0.000 0.205 1661 L C 1.656 178.478 176.870 -0.080 0.000 1.079 1661 L CA 1.716 56.465 54.840 -0.153 0.000 0.752 1661 L CB -0.719 41.109 42.059 -0.385 0.000 0.906 1661 L HN 0.131 nan 8.230 nan 0.000 0.436 1662 Y N 0.206 120.559 120.300 0.087 0.000 2.421 1662 Y HA 0.052 4.600 4.550 -0.003 0.000 0.292 1662 Y C 2.520 178.437 175.900 0.028 0.000 1.136 1662 Y CA 0.669 58.830 58.100 0.103 0.000 1.255 1662 Y CB -1.516 37.033 38.460 0.149 0.000 0.991 1662 Y HN 0.246 nan 8.280 nan 0.000 0.552 1663 G N 0.038 108.900 108.800 0.103 0.000 2.485 1663 G HA2 -0.195 3.764 3.960 -0.003 0.000 0.221 1663 G HA3 -0.195 3.764 3.960 -0.003 0.000 0.221 1663 G C 1.517 176.481 174.900 0.106 0.000 1.115 1663 G CA 0.825 45.953 45.100 0.048 0.000 0.751 1663 G HN 0.452 nan 8.290 nan 0.000 0.567 1664 A N -0.448 122.458 122.820 0.143 0.000 2.532 1664 A HA 0.665 4.984 4.320 -0.003 0.000 0.273 1664 A C 0.344 178.010 177.584 0.137 0.000 1.342 1664 A CA -0.289 51.825 52.037 0.129 0.000 0.929 1664 A CB -0.147 18.930 19.000 0.128 0.000 1.051 1664 A HN 0.387 nan 8.150 nan 0.000 0.521 1665 I N -1.079 119.603 120.570 0.186 0.000 2.894 1665 I HA 0.368 4.536 4.170 -0.003 0.000 0.302 1665 I C 0.033 176.284 176.117 0.223 0.000 1.188 1665 I CA -0.505 60.910 61.300 0.191 0.000 1.014 1665 I CB 2.251 40.385 38.000 0.223 0.000 1.242 1665 I HN 0.123 nan 8.210 nan 0.000 0.430 1666 T N 2.286 116.920 114.554 0.133 0.000 2.900 1666 T HA 0.043 4.392 4.350 -0.003 0.000 0.307 1666 T C 1.037 175.672 174.700 -0.108 0.000 1.065 1666 T CA 0.485 62.615 62.100 0.050 0.000 1.105 1666 T CB 0.871 69.749 68.868 0.017 0.000 0.979 1666 T HN 0.838 nan 8.240 nan 0.000 0.544 1667 E N 1.489 121.426 120.200 -0.439 0.000 2.077 1667 E HA -0.186 4.163 4.350 -0.003 0.000 0.193 1667 E C 1.270 177.638 176.600 -0.387 0.000 0.989 1667 E CA 1.577 57.344 56.400 -1.056 0.000 0.800 1667 E CB -0.120 28.927 29.700 -1.089 0.000 0.746 1667 E HN 0.785 nan 8.360 nan 0.000 0.452 1668 D N 0.071 120.356 120.400 -0.192 0.000 2.149 1668 D HA -0.174 4.464 4.640 -0.003 0.000 0.198 1668 D C 1.995 178.283 176.300 -0.020 0.000 0.990 1668 D CA 0.917 54.870 54.000 -0.078 0.000 0.839 1668 D CB -0.204 40.569 40.800 -0.045 0.000 0.948 1668 D HN 0.143 nan 8.370 nan 0.000 0.460 1669 R N -0.905 119.599 120.500 0.005 0.000 2.066 1669 R HA -0.168 4.171 4.340 -0.003 0.000 0.232 1669 R C 2.314 178.687 176.300 0.122 0.000 1.131 1669 R CA 0.908 57.047 56.100 0.065 0.000 0.955 1669 R CB -0.440 29.907 30.300 0.078 0.000 0.851 1669 R HN 0.228 nan 8.270 nan 0.000 0.432 1670 Y N 1.820 122.128 120.300 0.013 0.000 2.128 1670 Y HA -0.257 4.292 4.550 -0.003 0.000 0.284 1670 Y C 1.902 177.858 175.900 0.093 0.000 1.154 1670 Y CA 2.037 60.190 58.100 0.089 0.000 1.149 1670 Y CB -0.300 38.245 38.460 0.141 0.000 0.976 1670 Y HN 0.170 nan 8.280 nan 0.000 0.505 1671 N N 0.606 119.366 118.700 0.100 0.000 2.084 1671 N HA -0.232 4.506 4.740 -0.003 0.000 0.190 1671 N C 1.923 177.406 175.510 -0.045 0.000 1.030 1671 N CA 1.680 54.736 53.050 0.009 0.000 0.849 1671 N CB -0.595 37.909 38.487 0.028 0.000 1.012 1671 N HN 0.636 nan 8.380 nan 0.000 0.423 1672 E N -0.127 120.073 120.200 -0.001 0.000 2.118 1672 E HA -0.248 4.101 4.350 -0.003 0.000 0.195 1672 E C 1.933 178.536 176.600 0.006 0.000 0.992 1672 E CA 0.962 57.367 56.400 0.008 0.000 0.804 1672 E CB -0.183 29.540 29.700 0.038 0.000 0.741 1672 E HN 0.452 nan 8.360 nan 0.000 0.458 1673 Y N 0.899 121.126 120.300 -0.122 0.000 2.114 1673 Y HA -0.210 4.338 4.550 -0.003 0.000 0.284 1673 Y C 2.108 177.888 175.900 -0.199 0.000 1.143 1673 Y CA 1.715 59.729 58.100 -0.144 0.000 1.135 1673 Y CB -0.515 37.848 38.460 -0.163 0.000 0.980 1673 Y HN -0.097 nan 8.280 nan 0.000 0.499 1674 V N 1.174 120.829 119.914 -0.432 0.000 2.380 1674 V HA -0.383 3.736 4.120 -0.003 0.000 0.251 1674 V C 2.722 178.623 176.094 -0.321 0.000 1.063 1674 V CA 1.781 63.791 62.300 -0.484 0.000 1.055 1674 V CB -1.860 29.742 31.823 -0.368 0.000 0.657 1674 V HN 0.619 nan 8.190 nan 0.000 0.455 1675 A N 0.056 122.749 122.820 -0.211 0.000 1.851 1675 A HA -0.265 4.053 4.320 -0.003 0.000 0.216 1675 A C 2.324 179.827 177.584 -0.135 0.000 1.195 1675 A CA 2.211 54.169 52.037 -0.132 0.000 0.622 1675 A CB -0.496 18.459 19.000 -0.076 0.000 0.831 1675 A HN 0.544 nan 8.150 nan 0.000 0.444 1676 K N -0.487 119.824 120.400 -0.148 0.000 2.032 1676 K HA -0.093 4.225 4.320 -0.003 0.000 0.209 1676 K C 1.900 178.416 176.600 -0.141 0.000 1.048 1676 K CA 1.517 57.739 56.287 -0.108 0.000 0.927 1676 K CB -0.494 31.966 32.500 -0.067 0.000 0.712 1676 K HN 0.313 nan 8.250 nan 0.000 0.441 1677 V N 1.110 120.844 119.914 -0.299 0.000 2.332 1677 V HA -0.275 3.843 4.120 -0.003 0.000 0.248 1677 V C 2.484 178.529 176.094 -0.083 0.000 1.055 1677 V CA 2.124 64.281 62.300 -0.239 0.000 1.038 1677 V CB -0.576 30.953 31.823 -0.490 0.000 0.651 1677 V HN 0.407 nan 8.190 nan 0.000 0.450 1678 S N 0.165 115.788 115.700 -0.128 0.000 2.370 1678 S HA -0.211 4.257 4.470 -0.003 0.000 0.226 1678 S C 2.103 176.668 174.600 -0.059 0.000 1.033 1678 S CA 1.773 59.922 58.200 -0.084 0.000 1.011 1678 S CB -0.348 62.796 63.200 -0.093 0.000 0.852 1678 S HN 0.625 nan 8.310 nan 0.000 0.457 1679 A N 1.607 124.399 122.820 -0.047 0.000 1.930 1679 A HA 0.016 4.335 4.320 -0.003 0.000 0.217 1679 A C 2.307 179.894 177.584 0.004 0.000 1.175 1679 A CA 1.105 53.130 52.037 -0.021 0.000 0.627 1679 A CB -0.597 18.395 19.000 -0.013 0.000 0.815 1679 A HN 0.570 nan 8.150 nan 0.000 0.443 1680 R N -0.678 119.838 120.500 0.026 0.000 2.080 1680 R HA -0.140 4.198 4.340 -0.003 0.000 0.236 1680 R C 2.254 178.589 176.300 0.058 0.000 1.137 1680 R CA 1.417 57.567 56.100 0.082 0.000 0.943 1680 R CB -0.362 30.028 30.300 0.151 0.000 0.846 1680 R HN 0.605 nan 8.270 nan 0.000 0.431 1681 E N 1.211 121.394 120.200 -0.028 0.000 2.097 1681 E HA -0.227 4.121 4.350 -0.003 0.000 0.196 1681 E C 1.747 178.236 176.600 -0.185 0.000 1.000 1681 E CA 1.601 57.772 56.400 -0.382 0.000 0.804 1681 E CB 0.103 29.517 29.700 -0.475 0.000 0.740 1681 E HN 0.297 nan 8.360 nan 0.000 0.454 1682 K N -0.200 120.153 120.400 -0.079 0.000 2.057 1682 K HA -0.038 4.281 4.320 -0.003 0.000 0.207 1682 K C 2.334 178.985 176.600 0.084 0.000 1.049 1682 K CA 1.378 57.661 56.287 -0.006 0.000 0.931 1682 K CB -0.108 32.381 32.500 -0.018 0.000 0.714 1682 K HN -0.070 nan 8.250 nan 0.000 0.440 1683 S N 0.452 116.194 115.700 0.069 0.000 2.453 1683 S HA -0.016 4.453 4.470 -0.003 0.000 0.231 1683 S C 1.851 176.544 174.600 0.154 0.000 1.005 1683 S CA 0.847 59.109 58.200 0.103 0.000 0.949 1683 S CB 0.061 63.306 63.200 0.076 0.000 0.774 1683 S HN 0.395 nan 8.310 nan 0.000 0.510 1684 A N 0.013 122.919 122.820 0.144 0.000 1.943 1684 A HA 0.086 4.405 4.320 -0.003 0.000 0.213 1684 A C 1.807 179.539 177.584 0.247 0.000 1.181 1684 A CA 0.613 52.775 52.037 0.207 0.000 0.653 1684 A CB -0.765 18.342 19.000 0.179 0.000 0.833 1684 A HN 0.534 nan 8.150 nan 0.000 0.451 1685 Y N 1.164 121.494 120.300 0.051 0.000 2.165 1685 Y HA -0.248 4.301 4.550 -0.003 0.000 0.286 1685 Y C 2.296 178.319 175.900 0.206 0.000 1.155 1685 Y CA 2.375 60.542 58.100 0.112 0.000 1.164 1685 Y CB -0.189 38.282 38.460 0.017 0.000 0.978 1685 Y HN 0.308 nan 8.280 nan 0.000 0.513 1686 K N -0.422 120.082 120.400 0.173 0.000 1.987 1686 K HA -0.291 4.028 4.320 -0.003 0.000 0.216 1686 K C 2.178 178.818 176.600 0.067 0.000 1.051 1686 K CA 2.140 58.476 56.287 0.082 0.000 0.942 1686 K CB -0.944 31.637 32.500 0.136 0.000 0.722 1686 K HN 0.362 nan 8.250 nan 0.000 0.444 1687 F N 1.122 121.092 119.950 0.034 0.000 2.091 1687 F HA -0.248 4.278 4.527 -0.003 0.000 0.299 1687 F C 2.122 177.926 175.800 0.007 0.000 1.103 1687 F CA 1.881 59.901 58.000 0.032 0.000 1.228 1687 F CB -0.714 38.328 39.000 0.070 0.000 0.984 1687 F HN 0.195 nan 8.300 nan 0.000 0.477 1688 F N 0.245 120.143 119.950 -0.088 0.000 2.095 1688 F HA -0.253 4.272 4.527 -0.003 0.000 0.298 1688 F C 2.727 178.240 175.800 -0.477 0.000 1.104 1688 F CA 2.225 60.073 58.000 -0.255 0.000 1.232 1688 F CB -0.807 38.092 39.000 -0.168 0.000 0.987 1688 F HN 0.042 nan 8.300 nan 0.000 0.475 1689 H N -0.539 118.266 119.070 -0.443 0.000 2.495 1689 H HA -0.083 4.471 4.556 -0.003 0.000 0.287 1689 H C 1.844 176.796 175.328 -0.627 0.000 1.033 1689 H CA 1.215 56.898 56.048 -0.609 0.000 1.307 1689 H CB -0.451 28.977 29.762 -0.556 0.000 1.401 1689 H HN 0.380 nan 8.280 nan 0.000 0.555 1690 N N 0.695 119.147 118.700 -0.413 0.000 2.039 1690 N HA -0.112 4.627 4.740 -0.003 0.000 0.193 1690 N C 2.285 177.550 175.510 -0.408 0.000 1.044 1690 N CA 1.776 54.621 53.050 -0.342 0.000 0.847 1690 N CB -0.557 37.771 38.487 -0.265 0.000 1.030 1690 N HN 0.226 nan 8.380 nan 0.000 0.422 1691 G N -0.175 108.272 108.800 -0.587 0.000 2.509 1691 G HA2 -0.157 3.801 3.960 -0.003 0.000 0.218 1691 G HA3 -0.157 3.801 3.960 -0.003 0.000 0.218 1691 G C 1.455 176.118 174.900 -0.395 0.000 1.124 1691 G CA 0.385 45.213 45.100 -0.454 0.000 0.776 1691 G HN 0.319 nan 8.290 nan 0.000 0.547 1692 M N -0.038 119.126 119.600 -0.727 0.000 2.073 1692 M HA 0.106 4.584 4.480 -0.003 0.000 0.259 1692 M C 2.504 178.521 176.300 -0.472 0.000 1.079 1692 M CA 1.222 55.960 55.300 -0.936 0.000 1.131 1692 M CB -0.258 31.469 32.600 -1.456 0.000 1.316 1692 M HN 0.180 nan 8.290 nan 0.000 0.415 1693 I N -0.361 119.834 120.570 -0.625 0.000 2.151 1693 I HA -0.336 3.832 4.170 -0.003 0.000 0.243 1693 I C 1.270 177.138 176.117 -0.415 0.000 1.080 1693 I CA 1.653 62.520 61.300 -0.722 0.000 1.339 1693 I CB -0.211 36.931 38.000 -1.429 0.000 1.039 1693 I HN 0.350 nan 8.210 nan 0.000 0.409 1694 Y N 0.516 120.737 120.300 -0.132 0.000 2.485 1694 Y HA 0.195 4.743 4.550 -0.003 0.000 0.260 1694 Y C 0.709 176.612 175.900 0.004 0.000 1.173 1694 Y CA -0.784 57.295 58.100 -0.035 0.000 1.252 1694 Y CB -0.503 37.905 38.460 -0.087 0.000 1.123 1694 Y HN 0.204 nan 8.280 nan 0.000 0.524 1695 N N 0.398 119.182 118.700 0.141 0.000 2.725 1695 N HA -0.253 4.486 4.740 -0.003 0.000 0.249 1695 N C 0.359 175.926 175.510 0.096 0.000 1.103 1695 N CA 0.854 53.977 53.050 0.123 0.000 0.707 1695 N CB -1.167 37.363 38.487 0.072 0.000 1.043 1695 N HN 0.475 nan 8.380 nan 0.000 0.553 1696 K N 0.355 120.787 120.400 0.053 0.000 2.410 1696 K HA 0.258 4.576 4.320 -0.003 0.000 0.200 1696 K C 1.875 178.492 176.600 0.028 0.000 1.023 1696 K CA -0.242 56.065 56.287 0.032 0.000 1.149 1696 K CB 0.338 32.824 32.500 -0.023 0.000 0.859 1696 K HN 0.205 nan 8.250 nan 0.000 0.514 1697 L N 0.182 121.449 121.223 0.072 0.000 1.989 1697 L HA -0.111 4.227 4.340 -0.003 0.000 0.211 1697 L C 0.991 178.058 176.870 0.328 0.000 1.071 1697 L CA 1.145 56.081 54.840 0.160 0.000 0.749 1697 L CB -0.155 42.061 42.059 0.261 0.000 0.890 1697 L HN 0.158 nan 8.230 nan 0.000 0.431 1698 F N 0.392 120.455 119.950 0.188 0.000 2.438 1698 F HA 0.331 4.856 4.527 -0.003 0.000 0.356 1698 F C -0.385 175.486 175.800 0.117 0.000 1.099 1698 F CA -0.532 57.563 58.000 0.159 0.000 1.185 1698 F CB 0.752 39.833 39.000 0.136 0.000 1.115 1698 F HN -0.394 nan 8.300 nan 0.000 0.526 1699 V N 6.280 125.956 119.914 -0.397 0.000 2.398 1699 V HA 0.180 4.299 4.120 -0.003 0.000 0.282 1699 V C -0.332 175.458 176.094 -0.506 0.000 1.014 1699 V CA -0.829 61.299 62.300 -0.286 0.000 0.838 1699 V CB 1.031 32.800 31.823 -0.090 0.000 1.018 1699 V HN 0.877 nan 8.190 nan 0.000 0.432 1700 S N 4.940 120.375 115.700 -0.442 0.000 2.544 1700 S HA 0.193 4.661 4.470 -0.003 0.000 0.290 1700 S C 0.110 174.607 174.600 -0.171 0.000 1.276 1700 S CA -0.304 57.714 58.200 -0.303 0.000 1.075 1700 S CB 0.325 63.567 63.200 0.070 0.000 0.849 1700 S HN 0.541 nan 8.310 nan 0.000 0.494 1701 K N 3.284 123.588 120.400 -0.160 0.000 2.412 1701 K HA 0.078 4.397 4.320 -0.003 0.000 0.284 1701 K C 0.522 177.103 176.600 -0.032 0.000 1.046 1701 K CA 0.223 56.443 56.287 -0.112 0.000 0.999 1701 K CB 0.580 33.021 32.500 -0.098 0.000 0.941 1701 K HN 0.794 nan 8.250 nan 0.000 0.474 1702 E N 1.565 121.740 120.200 -0.041 0.000 2.476 1702 E HA 0.039 4.387 4.350 -0.003 0.000 0.196 1702 E C -0.305 176.118 176.600 -0.295 0.000 1.029 1702 E CA 0.145 56.475 56.400 -0.117 0.000 0.896 1702 E CB 0.388 30.025 29.700 -0.104 0.000 1.012 1702 E HN 0.395 nan 8.360 nan 0.000 0.475 1703 H N -1.300 117.801 119.070 0.052 0.000 3.064 1703 H HA 0.400 4.955 4.556 -0.003 0.000 0.352 1703 H C -0.816 174.574 175.328 0.104 0.000 1.260 1703 H CA -0.758 55.327 56.048 0.062 0.000 1.160 1703 H CB 1.559 31.351 29.762 0.049 0.000 1.879 1703 H HN 0.080 nan 8.280 nan 0.000 0.544 1704 A N 1.853 124.758 122.820 0.142 0.000 2.287 1704 A HA 0.382 4.700 4.320 -0.003 0.000 0.273 1704 A C -1.550 175.929 177.584 -0.175 0.000 1.091 1704 A CA -1.207 50.747 52.037 -0.138 0.000 0.817 1704 A CB 0.075 18.762 19.000 -0.522 0.000 1.069 1704 A HN 0.460 nan 8.150 nan 0.000 0.492 1705 P HA 0.008 nan 4.420 nan 0.000 0.226 1705 P C -0.665 176.694 177.300 0.098 0.000 1.153 1705 P CA 1.161 64.184 63.100 -0.129 0.000 0.777 1705 P CB -0.205 31.384 31.700 -0.184 0.000 0.794 1706 Y N -2.202 118.168 120.300 0.116 0.000 2.429 1706 Y HA 0.585 5.133 4.550 -0.003 0.000 0.342 1706 Y C 0.845 176.739 175.900 -0.010 0.000 1.004 1706 Y CA -2.126 55.984 58.100 0.016 0.000 1.075 1706 Y CB -0.255 38.061 38.460 -0.240 0.000 1.214 1706 Y HN -0.303 nan 8.280 nan 0.000 0.455 1707 T N -1.439 113.197 114.554 0.137 0.000 2.855 1707 T HA -0.010 4.339 4.350 -0.003 0.000 0.314 1707 T C 0.566 175.328 174.700 0.102 0.000 1.077 1707 T CA 0.091 62.236 62.100 0.075 0.000 1.095 1707 T CB 0.592 69.480 68.868 0.033 0.000 0.987 1707 T HN 0.745 nan 8.240 nan 0.000 0.546 1708 D N 1.155 121.604 120.400 0.082 0.000 2.144 1708 D HA -0.087 4.552 4.640 -0.003 0.000 0.199 1708 D C 1.824 178.130 176.300 0.010 0.000 0.984 1708 D CA 1.580 55.621 54.000 0.069 0.000 0.834 1708 D CB -0.119 40.721 40.800 0.066 0.000 0.955 1708 D HN 0.936 nan 8.370 nan 0.000 0.465 1709 E N -0.481 119.720 120.200 0.003 0.000 2.463 1709 E HA 0.117 4.466 4.350 -0.003 0.000 0.191 1709 E C 1.361 177.931 176.600 -0.049 0.000 1.083 1709 E CA 0.126 56.514 56.400 -0.021 0.000 0.872 1709 E CB 0.213 29.909 29.700 -0.008 0.000 0.966 1709 E HN 0.246 nan 8.360 nan 0.000 0.491 1710 L N -0.184 120.995 121.223 -0.073 0.000 3.174 1710 L HA 0.124 4.462 4.340 -0.003 0.000 0.283 1710 L C 2.025 178.707 176.870 -0.312 0.000 1.187 1710 L CA 0.014 54.778 54.840 -0.127 0.000 1.018 1710 L CB 0.461 42.492 42.059 -0.048 0.000 1.433 1710 L HN 0.105 nan 8.230 nan 0.000 0.593 1711 E N 1.118 121.104 120.200 -0.357 0.000 2.065 1711 E HA -0.304 4.045 4.350 -0.003 0.000 0.201 1711 E C 1.451 177.396 176.600 -1.092 0.000 1.016 1711 E CA 2.188 58.095 56.400 -0.821 0.000 0.818 1711 E CB 0.185 29.632 29.700 -0.421 0.000 0.749 1711 E HN 0.513 nan 8.360 nan 0.000 0.453 1712 E N 0.068 119.936 120.200 -0.554 0.000 2.072 1712 E HA -0.170 4.178 4.350 -0.003 0.000 0.191 1712 E C 1.918 178.333 176.600 -0.309 0.000 0.985 1712 E CA 1.157 57.345 56.400 -0.354 0.000 0.801 1712 E CB -0.014 29.599 29.700 -0.145 0.000 0.750 1712 E HN 0.264 nan 8.360 nan 0.000 0.452 1713 D N 0.181 120.409 120.400 -0.286 0.000 2.182 1713 D HA -0.134 4.504 4.640 -0.003 0.000 0.201 1713 D C 1.947 178.101 176.300 -0.242 0.000 0.986 1713 D CA 0.744 54.621 54.000 -0.204 0.000 0.847 1713 D CB -0.080 40.625 40.800 -0.158 0.000 0.942 1713 D HN 0.027 nan 8.370 nan 0.000 0.467 1714 V N 0.389 120.028 119.914 -0.459 0.000 2.323 1714 V HA -0.227 3.891 4.120 -0.003 0.000 0.244 1714 V C 1.984 177.936 176.094 -0.237 0.000 1.041 1714 V CA 1.126 63.107 62.300 -0.531 0.000 1.025 1714 V CB -0.678 30.475 31.823 -1.116 0.000 0.656 1714 V HN 0.140 nan 8.190 nan 0.000 0.451 1715 Y N -0.027 120.080 120.300 -0.321 0.000 2.384 1715 Y HA -0.109 4.440 4.550 -0.003 0.000 0.289 1715 Y C 2.100 177.999 175.900 -0.002 0.000 1.152 1715 Y CA 0.816 58.832 58.100 -0.140 0.000 1.258 1715 Y CB -0.697 37.651 38.460 -0.188 0.000 0.979 1715 Y HN 0.209 nan 8.280 nan 0.000 0.549 1716 L N -1.186 120.082 121.223 0.074 0.000 2.470 1716 L HA 0.088 4.427 4.340 -0.003 0.000 0.219 1716 L C 0.260 177.111 176.870 -0.031 0.000 1.071 1716 L CA 0.111 54.960 54.840 0.015 0.000 0.850 1716 L CB 0.152 42.204 42.059 -0.012 0.000 1.040 1716 L HN -0.108 nan 8.230 nan 0.000 0.475 1717 D N 0.773 121.161 120.400 -0.020 0.000 2.347 1717 D HA 0.128 4.766 4.640 -0.003 0.000 0.235 1717 D C -1.830 174.398 176.300 -0.120 0.000 1.149 1717 D CA -2.226 51.753 54.000 -0.035 0.000 0.850 1717 D CB 1.546 42.350 40.800 0.007 0.000 1.061 1717 D HN -0.120 nan 8.370 nan 0.000 0.487 1718 P HA 0.018 nan 4.420 nan 0.000 0.230 1718 P C 0.843 178.064 177.300 -0.132 0.000 1.158 1718 P CA 0.670 63.492 63.100 -0.464 0.000 0.769 1718 P CB 0.243 31.808 31.700 -0.225 0.000 0.807 1719 L N -2.017 119.224 121.223 0.029 0.000 2.693 1719 L HA 0.312 4.650 4.340 -0.003 0.000 0.235 1719 L C 0.898 177.887 176.870 0.198 0.000 1.127 1719 L CA -0.533 54.382 54.840 0.125 0.000 0.914 1719 L CB -0.192 41.938 42.059 0.118 0.000 1.193 1719 L HN -0.182 nan 8.230 nan 0.000 0.502 1720 A N 1.499 124.478 122.820 0.265 0.000 2.492 1720 A HA 0.493 4.812 4.320 -0.003 0.000 0.254 1720 A C 0.143 178.039 177.584 0.520 0.000 1.091 1720 A CA 0.247 52.494 52.037 0.350 0.000 0.768 1720 A CB 0.066 19.224 19.000 0.264 0.000 1.028 1720 A HN 0.325 nan 8.150 nan 0.000 0.498 1721 R N 1.626 122.348 120.500 0.371 0.000 2.808 1721 R HA 0.537 4.876 4.340 -0.003 0.000 0.272 1721 R C -1.265 174.882 176.300 -0.254 0.000 0.995 1721 R CA -0.971 55.217 56.100 0.146 0.000 0.917 1721 R CB 1.851 32.210 30.300 0.099 0.000 1.217 1721 R HN 0.452 nan 8.270 nan 0.000 0.471 1722 V N 1.604 121.204 119.914 -0.522 0.000 2.732 1722 V HA 0.262 4.380 4.120 -0.003 0.000 0.297 1722 V C 0.134 176.079 176.094 -0.248 0.000 1.060 1722 V CA 0.072 62.017 62.300 -0.592 0.000 1.038 1722 V CB 1.504 33.008 31.823 -0.530 0.000 1.003 1722 V HN 0.960 nan 8.190 nan 0.000 0.481 1723 S N 3.142 118.732 115.700 -0.182 0.000 2.569 1723 S HA 0.616 5.085 4.470 -0.003 0.000 0.280 1723 S C -0.999 173.562 174.600 -0.066 0.000 1.111 1723 S CA -1.324 56.818 58.200 -0.097 0.000 0.887 1723 S CB 1.512 64.675 63.200 -0.062 0.000 1.095 1723 S HN 0.608 nan 8.310 nan 0.000 0.476 1724 K N 1.161 121.534 120.400 -0.044 0.000 2.451 1724 K HA 0.192 4.510 4.320 -0.003 0.000 0.280 1724 K C -0.393 176.196 176.600 -0.019 0.000 1.020 1724 K CA -0.193 56.078 56.287 -0.026 0.000 1.008 1724 K CB 0.132 32.620 32.500 -0.020 0.000 0.917 1724 K HN 0.586 nan 8.250 nan 0.000 0.478 1725 D N 1.834 122.227 120.400 -0.012 0.000 2.344 1725 D HA 0.031 4.669 4.640 -0.003 0.000 0.244 1725 D C 0.650 176.947 176.300 -0.006 0.000 1.134 1725 D CA -0.154 53.842 54.000 -0.007 0.000 0.930 1725 D CB 0.965 41.764 40.800 -0.003 0.000 1.175 1725 D HN 0.370 nan 8.370 nan 0.000 0.437 1726 K N 1.677 122.074 120.400 -0.004 0.000 1.995 1726 K HA -0.030 4.288 4.320 -0.003 0.000 0.207 1726 K C 1.826 178.423 176.600 -0.004 0.000 1.041 1726 K CA 0.500 56.785 56.287 -0.004 0.000 0.942 1726 K CB -0.078 32.421 32.500 -0.002 0.000 0.731 1726 K HN 0.298 nan 8.250 nan 0.000 0.439 1727 K N 1.200 121.598 120.400 -0.004 0.000 1.987 1727 K HA -0.147 4.172 4.320 -0.003 0.000 0.216 1727 K C 2.554 179.151 176.600 -0.005 0.000 1.051 1727 K CA 2.288 58.572 56.287 -0.004 0.000 0.942 1727 K CB -0.255 32.242 32.500 -0.005 0.000 0.722 1727 K HN 0.236 nan 8.250 nan 0.000 0.444 1728 S N -1.176 114.521 115.700 -0.006 0.000 2.446 1728 S HA 0.056 4.525 4.470 -0.003 0.000 0.225 1728 S C 1.654 176.250 174.600 -0.005 0.000 1.016 1728 S CA 0.845 59.042 58.200 -0.005 0.000 0.943 1728 S CB 0.291 63.487 63.200 -0.006 0.000 0.786 1728 S HN 0.530 nan 8.310 nan 0.000 0.508 1729 G N 1.319 110.115 108.800 -0.005 0.000 2.212 1729 G HA2 -0.316 3.643 3.960 -0.003 0.000 0.266 1729 G HA3 -0.316 3.643 3.960 -0.003 0.000 0.266 1729 G C 0.323 175.218 174.900 -0.008 0.000 0.978 1729 G CA 0.517 45.613 45.100 -0.007 0.000 0.632 1729 G HN 1.306 nan 8.290 nan 0.000 0.537 1730 S N -0.176 115.521 115.700 -0.005 0.000 2.669 1730 S HA 0.743 5.212 4.470 -0.003 0.000 0.270 1730 S C 0.334 174.943 174.600 0.014 0.000 1.225 1730 S CA -0.937 57.262 58.200 -0.003 0.000 0.991 1730 S CB 1.625 64.822 63.200 -0.004 0.000 0.987 1730 S HN 0.563 nan 8.310 nan 0.000 0.552 1731 L N 2.438 123.687 121.223 0.043 0.000 2.342 1731 L HA 0.368 4.706 4.340 -0.003 0.000 0.285 1731 L C 0.674 177.581 176.870 0.062 0.000 1.095 1731 L CA -0.277 54.593 54.840 0.050 0.000 0.843 1731 L CB 0.134 42.247 42.059 0.090 0.000 1.201 1731 L HN 1.000 nan 8.230 nan 0.000 0.445 1732 T N -0.586 113.952 114.554 -0.028 0.000 2.907 1732 T HA 0.580 4.929 4.350 -0.003 0.000 0.290 1732 T C -0.466 174.150 174.700 -0.140 0.000 1.066 1732 T CA -0.687 61.400 62.100 -0.022 0.000 1.012 1732 T CB 1.462 70.354 68.868 0.041 0.000 1.184 1732 T HN 0.061 nan 8.240 nan 0.000 0.522 1733 F N 2.118 122.086 119.950 0.031 0.000 2.404 1733 F HA 0.490 5.016 4.527 -0.003 0.000 0.345 1733 F C 0.911 176.724 175.800 0.021 0.000 1.110 1733 F CA -0.649 57.370 58.000 0.032 0.000 1.130 1733 F CB 1.094 40.120 39.000 0.043 0.000 1.129 1733 F HN 0.552 nan 8.300 nan 0.000 0.500 1734 N N 0.708 119.505 118.700 0.161 0.000 2.487 1734 N HA 0.166 4.904 4.740 -0.003 0.000 0.292 1734 N C 0.645 176.213 175.510 0.096 0.000 1.108 1734 N CA -0.185 52.924 53.050 0.098 0.000 0.956 1734 N CB 1.575 40.093 38.487 0.052 0.000 1.176 1734 N HN 0.489 nan 8.380 nan 0.000 0.484 1735 S N 2.008 117.745 115.700 0.061 0.000 2.419 1735 S HA -0.104 4.364 4.470 -0.003 0.000 0.235 1735 S C 1.189 175.812 174.600 0.038 0.000 1.019 1735 S CA 1.216 59.440 58.200 0.041 0.000 0.982 1735 S CB -0.010 63.204 63.200 0.024 0.000 0.789 1735 S HN 0.611 nan 8.310 nan 0.000 0.490 1736 K N 1.061 121.485 120.400 0.041 0.000 2.361 1736 K HA 0.184 4.503 4.320 -0.003 0.000 0.196 1736 K C 0.832 177.460 176.600 0.046 0.000 1.039 1736 K CA 0.359 56.667 56.287 0.035 0.000 1.001 1736 K CB 0.039 32.556 32.500 0.028 0.000 0.795 1736 K HN 0.208 nan 8.250 nan 0.000 0.495 1737 N N 0.517 119.255 118.700 0.064 0.000 2.236 1737 N HA 0.100 4.839 4.740 -0.003 0.000 0.196 1737 N C -0.064 175.505 175.510 0.100 0.000 1.114 1737 N CA 0.283 53.381 53.050 0.080 0.000 0.859 1737 N CB 0.768 39.308 38.487 0.088 0.000 0.982 1737 N HN 0.103 nan 8.380 nan 0.000 0.493 1738 I N 2.186 122.806 120.570 0.083 0.000 2.304 1738 I HA 0.040 4.208 4.170 -0.003 0.000 0.291 1738 I C 0.027 176.165 176.117 0.034 0.000 1.018 1738 I CA -0.164 61.175 61.300 0.064 0.000 1.260 1738 I CB 0.663 38.683 38.000 0.034 0.000 1.390 1738 I HN -0.083 nan 8.210 nan 0.000 0.475 1739 Q N 2.807 122.626 119.800 0.032 0.000 2.470 1739 Q HA -0.163 4.175 4.340 -0.003 0.000 0.294 1739 Q C -0.128 175.881 176.000 0.016 0.000 1.356 1739 Q CA 0.689 56.498 55.803 0.011 0.000 0.805 1739 Q CB -1.495 27.237 28.738 -0.010 0.000 1.157 1739 Q HN 0.804 nan 8.270 nan 0.000 0.431 1740 S N -2.072 113.652 115.700 0.039 0.000 2.565 1740 S HA 0.569 5.037 4.470 -0.003 0.000 0.290 1740 S C 0.913 175.547 174.600 0.058 0.000 1.150 1740 S CA -0.653 57.573 58.200 0.043 0.000 1.058 1740 S CB 2.484 65.716 63.200 0.053 0.000 1.032 1740 S HN 0.209 nan 8.310 nan 0.000 0.510 1741 K N 1.262 121.692 120.400 0.050 0.000 2.097 1741 K HA -0.073 4.246 4.320 -0.003 0.000 0.206 1741 K C 1.209 177.876 176.600 0.112 0.000 1.049 1741 K CA 1.677 58.009 56.287 0.075 0.000 0.933 1741 K CB -0.380 32.151 32.500 0.053 0.000 0.717 1741 K HN 0.704 nan 8.250 nan 0.000 0.442 1742 D N -0.533 119.915 120.400 0.080 0.000 2.182 1742 D HA -0.128 4.511 4.640 -0.003 0.000 0.201 1742 D C 1.596 177.947 176.300 0.085 0.000 0.986 1742 D CA 1.589 55.633 54.000 0.072 0.000 0.847 1742 D CB -0.133 40.698 40.800 0.051 0.000 0.942 1742 D HN 0.333 nan 8.370 nan 0.000 0.467 1743 S N -1.325 114.436 115.700 0.102 0.000 2.562 1743 S HA -0.070 4.398 4.470 -0.003 0.000 0.221 1743 S C 1.812 176.506 174.600 0.156 0.000 0.975 1743 S CA -0.128 58.137 58.200 0.108 0.000 0.918 1743 S CB -0.225 63.038 63.200 0.104 0.000 0.772 1743 S HN 0.255 nan 8.310 nan 0.000 0.531 1744 Y N 1.791 122.108 120.300 0.028 0.000 2.347 1744 Y HA 0.369 4.917 4.550 -0.003 0.000 0.294 1744 Y C 1.737 177.653 175.900 0.027 0.000 1.117 1744 Y CA 0.061 58.177 58.100 0.026 0.000 1.184 1744 Y CB -0.213 38.260 38.460 0.020 0.000 1.047 1744 Y HN 0.193 nan 8.280 nan 0.000 0.546 1745 I N 0.325 120.955 120.570 0.099 0.000 2.179 1745 I HA -0.337 3.832 4.170 -0.003 0.000 0.242 1745 I C 1.282 177.392 176.117 -0.012 0.000 1.088 1745 I CA 1.583 62.898 61.300 0.025 0.000 1.357 1745 I CB -0.315 37.720 38.000 0.058 0.000 1.051 1745 I HN 0.221 nan 8.210 nan 0.000 0.409 1746 N N 0.928 119.635 118.700 0.011 0.000 2.422 1746 N HA 0.122 4.861 4.740 -0.003 0.000 0.181 1746 N C 0.648 176.156 175.510 -0.003 0.000 1.080 1746 N CA 0.391 53.445 53.050 0.007 0.000 0.893 1746 N CB -0.167 38.332 38.487 0.020 0.000 0.973 1746 N HN 0.230 nan 8.380 nan 0.000 0.456 1747 A N 0.000 122.809 122.820 -0.018 0.000 2.254 1747 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 1747 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 1747 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 1747 A HN 0.000 nan 8.150 nan 0.000 0.486