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 3nae_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKEFYLTVEQ IGDSIFERYI DSNGRERTRE VEYKPSLFAH CPESQATKYF DATA SEQUENCE DIYGKPCTRK LFANMRDASQ WIKRMEDIGL EALGMDDFKL AYLSDTYNYE DATA SEQUENCE IKYDHTKIRV ANFDIEVTSP DGFPEPSQAK HPIDAITHYD SIDDRFYVFD DATA SEQUENCE LLNSPYGNVE EWSIEIAAKL QEQGGDEVPS EIIDKIIYMP FDNEKELLME DATA SEQUENCE YLNFWQQKTP VILTGWNVES FAIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIAVYR VLQIDAKRQF INLSLDMGYY DATA SEQUENCE AKIQIQSVFS PIKTWDAIIF NSLKEQNKVI PQGRSHPVQP YPGAFVKEPI DATA SEQUENCE PNRYKYVMSF DLTSLYPSII RQVNISPETI AGTFKVAPLH DYINAVAERP DATA SEQUENCE SDVYSCSPNG MMYYKDRDGV VPTEITKVFN QRKEHKGYML AAQRNGEIIK DATA SEQUENCE EALHNPNLSV DEPLDVDYRF DFSDEIKEKI KKLSAKSLNE MLFRAQRTEV DATA SEQUENCE AGMTAQINRK LLINSLAGAL GNVWFRYYDL RNATAITTFG QMALQWIERK DATA SEQUENCE VNEYLNEVCG TEGEAFVLYG DTDSIYVSAD KIIDKVGESK FRDTNHWVDF DATA SEQUENCE LDKFARERME PAIDRGFREM CEYMNNKQHL MFMDREAIAG PPLGSKGIGG DATA SEQUENCE FWTGKKRYAL NVWDMEGTRY AEPKLKIMGL ETQKSSTPKA VQKALKECIR DATA SEQUENCE RMLQEGEESL QEYFKEFEKE FRQLNYISIA SVSSANNIAK YDVGGFPGPK DATA SEQUENCE CPFHIRGILT YNRAIKGNID APQVVEGEKV YVLPLREGNP FGDKCIAWPS DATA SEQUENCE GTEITDLIKD DVLHWMDYTV LLEKTFIKPL EGFTSAAKLD YEKKASLFDM DATA SEQUENCE FDF 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 0.000 176.353 176.300 0.088 0.000 1.140 1 M CA 0.000 55.343 55.300 0.072 0.000 0.988 1 M CB 0.000 32.660 32.600 0.101 0.000 1.302 2 K N 2.701 123.162 120.400 0.101 0.000 2.298 2 K HA 0.267 4.593 4.320 0.010 0.000 0.280 2 K C -0.280 176.504 176.600 0.306 0.000 1.032 2 K CA 0.003 56.365 56.287 0.126 0.000 0.958 2 K CB 0.718 33.252 32.500 0.057 0.000 0.978 2 K HN 0.608 nan 8.250 nan 0.000 0.472 3 E N 2.685 123.096 120.200 0.351 0.000 2.390 3 E HA 0.169 4.525 4.350 0.010 0.000 0.261 3 E C -0.244 176.750 176.600 0.657 0.000 1.076 3 E CA 0.047 56.710 56.400 0.439 0.000 0.905 3 E CB 0.379 30.328 29.700 0.415 0.000 0.984 3 E HN 0.340 nan 8.360 nan 0.000 0.427 4 F N -0.740 119.401 119.950 0.318 0.000 2.619 4 F HA 0.368 4.901 4.527 0.010 0.000 0.308 4 F C -0.802 175.012 175.800 0.022 0.000 1.097 4 F CA -1.685 56.302 58.000 -0.021 0.000 0.953 4 F CB 0.337 39.167 39.000 -0.283 0.000 1.287 4 F HN 0.404 nan 8.300 nan 0.000 0.446 5 Y N 1.511 121.717 120.300 -0.156 0.000 2.357 5 Y HA 0.607 5.163 4.550 0.010 0.000 0.340 5 Y C -0.064 176.021 175.900 0.307 0.000 1.260 5 Y CA -0.904 57.267 58.100 0.118 0.000 1.425 5 Y CB 0.498 38.981 38.460 0.040 0.000 1.326 5 Y HN 0.741 nan 8.280 nan 0.000 0.580 6 L N 0.961 122.409 121.223 0.376 0.000 2.453 6 L HA 0.228 4.574 4.340 0.010 0.000 0.190 6 L C 0.613 177.688 176.870 0.342 0.000 1.093 6 L CA 0.757 55.767 54.840 0.282 0.000 0.834 6 L CB 0.179 42.340 42.059 0.170 0.000 1.090 6 L HN 0.920 nan 8.230 nan 0.000 0.489 7 T N -2.733 112.040 114.554 0.365 0.000 2.883 7 T HA 0.666 5.023 4.350 0.010 0.000 0.296 7 T C -1.088 173.797 174.700 0.307 0.000 1.117 7 T CA -0.674 61.611 62.100 0.308 0.000 1.006 7 T CB 2.620 71.627 68.868 0.232 0.000 1.191 7 T HN -0.147 nan 8.240 nan 0.000 0.508 8 V N 0.755 120.791 119.914 0.205 0.000 2.851 8 V HA 0.710 4.837 4.120 0.010 0.000 0.307 8 V C -1.861 174.308 176.094 0.125 0.000 1.129 8 V CA -0.474 61.913 62.300 0.144 0.000 0.932 8 V CB 1.933 33.792 31.823 0.060 0.000 1.024 8 V HN 1.081 nan 8.190 nan 0.000 0.426 9 E N 4.089 124.373 120.200 0.140 0.000 2.356 9 E HA 0.344 4.700 4.350 0.010 0.000 0.275 9 E C -1.474 175.234 176.600 0.181 0.000 0.904 9 E CA -0.624 55.901 56.400 0.207 0.000 0.757 9 E CB 2.585 32.520 29.700 0.392 0.000 1.232 9 E HN 0.754 nan 8.360 nan 0.000 0.442 10 Q N 2.439 122.366 119.800 0.212 0.000 2.303 10 Q HA 0.473 4.819 4.340 0.010 0.000 0.257 10 Q C -0.922 175.206 176.000 0.214 0.000 0.941 10 Q CA -0.306 55.611 55.803 0.190 0.000 0.931 10 Q CB 0.594 29.442 28.738 0.183 0.000 1.215 10 Q HN 0.487 nan 8.270 nan 0.000 0.437 11 I N 4.987 125.667 120.570 0.184 0.000 2.448 11 I HA 0.347 4.523 4.170 0.010 0.000 0.281 11 I C 0.823 176.995 176.117 0.092 0.000 1.027 11 I CA -0.351 60.991 61.300 0.071 0.000 1.111 11 I CB 1.242 39.227 38.000 -0.025 0.000 1.236 11 I HN 1.024 nan 8.210 nan 0.000 0.452 12 G N 5.774 114.601 108.800 0.045 0.000 2.629 12 G HA2 -0.302 3.664 3.960 0.010 0.000 0.313 12 G HA3 -0.302 3.664 3.960 0.010 0.000 0.313 12 G C 0.423 175.350 174.900 0.045 0.000 1.217 12 G CA 0.519 45.642 45.100 0.040 0.000 0.994 12 G HN 0.608 nan 8.290 nan 0.000 0.549 13 D N 1.510 121.923 120.400 0.022 0.000 2.358 13 D HA 0.399 5.045 4.640 0.010 0.000 0.224 13 D C 0.410 176.695 176.300 -0.025 0.000 1.123 13 D CA 0.670 54.666 54.000 -0.008 0.000 0.833 13 D CB 0.429 41.213 40.800 -0.027 0.000 0.946 13 D HN 0.219 nan 8.370 nan 0.000 0.505 14 S N 0.452 116.144 115.700 -0.013 0.000 2.513 14 S HA 0.428 4.904 4.470 0.010 0.000 0.299 14 S C -0.160 174.366 174.600 -0.123 0.000 1.087 14 S CA -0.676 57.447 58.200 -0.128 0.000 1.012 14 S CB 2.013 65.062 63.200 -0.251 0.000 1.044 14 S HN -0.004 nan 8.310 nan 0.000 0.485 15 I N 3.031 123.436 120.570 -0.274 0.000 2.342 15 I HA 0.338 4.514 4.170 0.010 0.000 0.291 15 I C -0.827 175.002 176.117 -0.480 0.000 1.010 15 I CA -0.372 60.717 61.300 -0.352 0.000 1.308 15 I CB 0.263 37.835 38.000 -0.714 0.000 1.400 15 I HN 0.528 nan 8.210 nan 0.000 0.488 16 F N 4.909 124.693 119.950 -0.276 0.000 2.411 16 F HA 0.364 4.898 4.527 0.012 0.000 0.352 16 F C 0.656 176.354 175.800 -0.170 0.000 1.123 16 F CA -0.421 57.378 58.000 -0.334 0.000 1.044 16 F CB 1.149 39.693 39.000 -0.760 0.000 1.135 16 F HN 0.415 nan 8.300 nan 0.000 0.461 17 E N 4.482 124.748 120.200 0.110 0.000 2.224 17 E HA 0.439 4.795 4.350 0.010 0.000 0.265 17 E C -0.993 175.857 176.600 0.418 0.000 0.878 17 E CA -0.914 55.646 56.400 0.267 0.000 0.759 17 E CB 1.246 31.107 29.700 0.268 0.000 1.164 17 E HN 0.608 nan 8.360 nan 0.000 0.414 18 R N 3.077 123.830 120.500 0.421 0.000 2.346 18 R HA 0.398 4.744 4.340 0.010 0.000 0.311 18 R C -0.993 175.543 176.300 0.393 0.000 0.983 18 R CA -0.516 55.788 56.100 0.341 0.000 0.880 18 R CB 0.907 31.344 30.300 0.227 0.000 1.100 18 R HN 0.443 nan 8.270 nan 0.000 0.453 19 Y N -0.504 119.868 120.300 0.121 0.000 2.625 19 Y HA 0.528 5.084 4.550 0.010 0.000 0.338 19 Y C -1.226 174.611 175.900 -0.104 0.000 1.123 19 Y CA -1.643 56.491 58.100 0.057 0.000 1.046 19 Y CB 1.060 39.643 38.460 0.205 0.000 1.299 19 Y HN 0.198 nan 8.280 nan 0.000 0.464 20 I N 3.951 124.346 120.570 -0.293 0.000 2.304 20 I HA 0.170 4.346 4.170 0.010 0.000 0.291 20 I C -0.234 175.817 176.117 -0.110 0.000 1.018 20 I CA -0.486 60.554 61.300 -0.433 0.000 1.260 20 I CB 0.496 37.958 38.000 -0.898 0.000 1.390 20 I HN 0.850 nan 8.210 nan 0.000 0.475 21 D N 4.258 124.609 120.400 -0.082 0.000 2.414 21 D HA 0.027 4.674 4.640 0.010 0.000 0.259 21 D C 1.107 177.469 176.300 0.103 0.000 1.269 21 D CA -0.394 53.693 54.000 0.145 0.000 1.028 21 D CB 0.386 41.248 40.800 0.104 0.000 1.093 21 D HN 0.438 nan 8.370 nan 0.000 0.545 22 S N -1.120 114.655 115.700 0.125 0.000 2.547 22 S HA -0.126 4.350 4.470 0.010 0.000 0.235 22 S C 0.894 175.530 174.600 0.060 0.000 0.980 22 S CA 0.287 58.543 58.200 0.094 0.000 0.941 22 S CB -0.494 62.753 63.200 0.079 0.000 0.763 22 S HN 0.480 nan 8.310 nan 0.000 0.532 23 N N 0.892 119.617 118.700 0.041 0.000 2.236 23 N HA 0.216 4.963 4.740 0.010 0.000 0.196 23 N C 1.165 176.681 175.510 0.011 0.000 1.114 23 N CA 0.725 53.789 53.050 0.022 0.000 0.859 23 N CB 0.776 39.271 38.487 0.013 0.000 0.982 23 N HN 0.638 nan 8.380 nan 0.000 0.493 24 G N 1.209 110.014 108.800 0.009 0.000 2.157 24 G HA2 -0.281 3.685 3.960 0.010 0.000 0.248 24 G HA3 -0.281 3.685 3.960 0.010 0.000 0.248 24 G C 0.108 174.981 174.900 -0.046 0.000 0.979 24 G CA -0.211 44.889 45.100 -0.001 0.000 0.650 24 G HN 0.282 nan 8.290 nan 0.000 0.529 25 R N 0.489 120.946 120.500 -0.073 0.000 2.428 25 R HA 0.557 4.903 4.340 0.010 0.000 0.294 25 R C 0.261 176.451 176.300 -0.184 0.000 1.000 25 R CA -0.607 55.430 56.100 -0.104 0.000 0.960 25 R CB 1.202 31.452 30.300 -0.084 0.000 1.076 25 R HN 0.374 nan 8.270 nan 0.000 0.475 26 E N 2.551 122.646 120.200 -0.175 0.000 2.316 26 E HA 0.065 4.421 4.350 0.010 0.000 0.275 26 E C -0.508 175.931 176.600 -0.267 0.000 1.029 26 E CA -0.181 56.085 56.400 -0.224 0.000 0.871 26 E CB 0.575 30.184 29.700 -0.151 0.000 1.022 26 E HN 0.201 nan 8.360 nan 0.000 0.418 27 R N 2.313 122.551 120.500 -0.438 0.000 2.808 27 R HA 0.490 4.836 4.340 0.010 0.000 0.272 27 R C -1.129 175.013 176.300 -0.262 0.000 0.995 27 R CA -0.751 55.086 56.100 -0.439 0.000 0.917 27 R CB 2.279 32.114 30.300 -0.775 0.000 1.217 27 R HN 0.558 nan 8.270 nan 0.000 0.471 28 T N 2.090 116.638 114.554 -0.011 0.000 2.893 28 T HA 0.612 4.968 4.350 0.010 0.000 0.293 28 T C -0.552 174.298 174.700 0.250 0.000 1.027 28 T CA -0.945 61.270 62.100 0.192 0.000 0.988 28 T CB 2.110 71.109 68.868 0.219 0.000 1.043 28 T HN 0.600 nan 8.240 nan 0.000 0.461 29 R N 1.003 121.675 120.500 0.287 0.000 2.740 29 R HA 0.667 5.013 4.340 0.010 0.000 0.273 29 R C -1.415 174.852 176.300 -0.055 0.000 0.998 29 R CA -1.040 55.149 56.100 0.149 0.000 0.900 29 R CB 2.099 32.513 30.300 0.189 0.000 1.223 29 R HN 0.602 nan 8.270 nan 0.000 0.466 30 E N 2.319 122.392 120.200 -0.212 0.000 2.145 30 E HA 0.372 4.728 4.350 0.010 0.000 0.270 30 E C -1.328 175.063 176.600 -0.348 0.000 0.906 30 E CA -0.904 55.150 56.400 -0.576 0.000 0.761 30 E CB 1.930 31.207 29.700 -0.705 0.000 1.116 30 E HN 0.423 nan 8.360 nan 0.000 0.408 31 V N 4.546 124.240 119.914 -0.366 0.000 2.487 31 V HA 0.179 4.305 4.120 0.010 0.000 0.298 31 V C -0.289 175.713 176.094 -0.153 0.000 1.028 31 V CA -0.795 61.396 62.300 -0.182 0.000 0.860 31 V CB 1.665 33.436 31.823 -0.086 0.000 0.991 31 V HN 0.750 nan 8.190 nan 0.000 0.427 32 E N 3.744 123.896 120.200 -0.079 0.000 2.148 32 E HA 0.099 4.455 4.350 0.010 0.000 0.308 32 E C -0.722 175.884 176.600 0.010 0.000 1.278 32 E CA -0.306 56.062 56.400 -0.054 0.000 1.368 32 E CB 0.064 29.729 29.700 -0.059 0.000 1.229 32 E HN 0.619 nan 8.360 nan 0.000 0.494 33 Y N 2.559 122.800 120.300 -0.097 0.000 2.632 33 Y HA -0.077 4.479 4.550 0.010 0.000 0.329 33 Y C 0.064 175.921 175.900 -0.071 0.000 1.174 33 Y CA -0.139 57.939 58.100 -0.037 0.000 1.469 33 Y CB 0.432 38.891 38.460 -0.002 0.000 1.242 33 Y HN 0.027 nan 8.280 nan 0.000 0.540 34 K N 9.476 129.545 120.400 -0.551 0.000 2.266 34 K HA 0.275 4.601 4.320 0.010 0.000 0.274 34 K C -2.599 173.505 176.600 -0.827 0.000 1.090 34 K CA -1.717 54.251 56.287 -0.531 0.000 0.925 34 K CB 0.819 33.137 32.500 -0.304 0.000 1.225 34 K HN 0.488 nan 8.250 nan 0.000 0.458 35 P HA 0.136 nan 4.420 nan 0.000 0.276 35 P C -0.602 176.568 177.300 -0.216 0.000 1.244 35 P CA -0.474 62.305 63.100 -0.535 0.000 0.801 35 P CB 1.107 32.429 31.700 -0.630 0.000 1.006 36 S N 0.821 116.458 115.700 -0.106 0.000 2.503 36 S HA 0.650 5.126 4.470 0.010 0.000 0.301 36 S C -0.035 174.497 174.600 -0.114 0.000 1.087 36 S CA -0.526 57.549 58.200 -0.209 0.000 1.042 36 S CB 0.542 63.524 63.200 -0.363 0.000 1.043 36 S HN 0.303 nan 8.310 nan 0.000 0.489 37 L N 1.447 122.521 121.223 -0.248 0.000 2.250 37 L HA 0.748 5.095 4.340 0.010 0.000 0.252 37 L C -1.545 174.975 176.870 -0.582 0.000 1.054 37 L CA -0.896 53.885 54.840 -0.098 0.000 0.856 37 L CB 1.279 43.507 42.059 0.281 0.000 1.443 37 L HN 0.535 nan 8.230 nan 0.000 0.427 38 F N -0.057 119.926 119.950 0.055 0.000 2.588 38 F HA 0.765 5.298 4.527 0.010 0.000 0.310 38 F C -0.014 175.881 175.800 0.158 0.000 1.082 38 F CA -0.625 57.373 58.000 -0.004 0.000 0.929 38 F CB 2.066 41.035 39.000 -0.052 0.000 1.254 38 F HN 0.351 nan 8.300 nan 0.000 0.455 39 A N 0.971 123.950 122.820 0.265 0.000 2.413 39 A HA 0.691 5.018 4.320 0.010 0.000 0.307 39 A C -1.292 176.369 177.584 0.128 0.000 1.087 39 A CA -0.717 51.465 52.037 0.242 0.000 0.750 39 A CB 0.524 19.732 19.000 0.348 0.000 1.296 39 A HN 0.892 nan 8.150 nan 0.000 0.423 40 H N -0.603 118.582 119.070 0.191 0.000 2.871 40 H HA 0.359 4.921 4.556 0.010 0.000 0.355 40 H C 0.583 175.980 175.328 0.114 0.000 1.092 40 H CA 1.290 57.424 56.048 0.142 0.000 1.420 40 H CB 0.538 30.374 29.762 0.123 0.000 1.400 40 H HN 0.932 nan 8.280 nan 0.000 0.604 41 C N 1.854 121.292 119.300 0.230 0.000 3.154 41 C HA 0.640 5.106 4.460 0.010 0.000 0.312 41 C C -2.617 172.441 174.990 0.112 0.000 1.349 41 C CA -2.314 56.786 59.018 0.138 0.000 1.518 41 C CB 1.150 28.948 27.740 0.096 0.000 1.934 41 C HN 0.543 nan 8.230 nan 0.000 0.462 42 P HA 0.250 nan 4.420 nan 0.000 0.272 42 P C 0.558 177.900 177.300 0.069 0.000 1.223 42 P CA 0.090 63.230 63.100 0.067 0.000 0.784 42 P CB 0.460 32.191 31.700 0.052 0.000 0.923 43 E N 0.874 121.118 120.200 0.074 0.000 2.204 43 E HA -0.153 4.204 4.350 0.010 0.000 0.194 43 E C 1.327 177.969 176.600 0.070 0.000 0.989 43 E CA 1.200 57.653 56.400 0.088 0.000 0.824 43 E CB -0.035 29.720 29.700 0.092 0.000 0.756 43 E HN 0.501 nan 8.360 nan 0.000 0.477 44 S N -0.281 115.451 115.700 0.053 0.000 2.547 44 S HA -0.135 4.341 4.470 0.010 0.000 0.235 44 S C 0.943 175.565 174.600 0.037 0.000 0.980 44 S CA 0.156 58.381 58.200 0.042 0.000 0.941 44 S CB 0.024 63.244 63.200 0.034 0.000 0.763 44 S HN 0.192 nan 8.310 nan 0.000 0.532 45 Q N 1.383 121.206 119.800 0.038 0.000 2.331 45 Q HA 0.619 4.965 4.340 0.010 0.000 0.257 45 Q C -0.583 175.430 176.000 0.021 0.000 0.957 45 Q CA -0.591 55.229 55.803 0.028 0.000 0.923 45 Q CB 1.173 29.928 28.738 0.029 0.000 1.212 45 Q HN 0.493 nan 8.270 nan 0.000 0.443 46 A N 3.597 126.428 122.820 0.018 0.000 2.492 46 A HA 0.387 4.713 4.320 0.010 0.000 0.254 46 A C -0.056 177.521 177.584 -0.011 0.000 1.091 46 A CA 0.349 52.395 52.037 0.014 0.000 0.768 46 A CB 0.683 19.692 19.000 0.016 0.000 1.028 46 A HN 0.681 nan 8.150 nan 0.000 0.498 47 T N 0.488 115.012 114.554 -0.050 0.000 2.853 47 T HA 0.489 4.845 4.350 0.010 0.000 0.311 47 T C 0.398 174.976 174.700 -0.203 0.000 1.307 47 T CA -0.124 61.908 62.100 -0.113 0.000 1.019 47 T CB 1.155 69.943 68.868 -0.134 0.000 1.264 47 T HN 0.750 nan 8.240 nan 0.000 0.497 48 K N 1.115 121.333 120.400 -0.303 0.000 2.358 48 K HA 0.251 4.577 4.320 0.010 0.000 0.200 48 K C -0.786 175.534 176.600 -0.467 0.000 1.030 48 K CA -0.261 55.825 56.287 -0.335 0.000 1.097 48 K CB 0.171 32.449 32.500 -0.369 0.000 0.862 48 K HN 0.477 nan 8.250 nan 0.000 0.534 49 Y N 0.756 120.914 120.300 -0.236 0.000 2.330 49 Y HA 0.456 5.012 4.550 0.010 0.000 0.336 49 Y C -0.582 175.024 175.900 -0.491 0.000 1.036 49 Y CA -1.196 56.779 58.100 -0.208 0.000 1.125 49 Y CB 0.877 39.298 38.460 -0.064 0.000 1.194 49 Y HN -0.159 nan 8.280 nan 0.000 0.469 50 F N 1.867 121.885 119.950 0.114 0.000 2.565 50 F HA 0.272 4.805 4.527 0.010 0.000 0.313 50 F C -0.093 175.738 175.800 0.053 0.000 1.091 50 F CA -1.376 56.679 58.000 0.092 0.000 0.915 50 F CB 1.473 40.512 39.000 0.064 0.000 1.208 50 F HN 0.524 nan 8.300 nan 0.000 0.453 51 D N 1.864 122.428 120.400 0.272 0.000 2.393 51 D HA 0.033 4.680 4.640 0.010 0.000 0.246 51 D C 1.314 177.682 176.300 0.113 0.000 1.275 51 D CA -0.294 53.815 54.000 0.180 0.000 0.979 51 D CB 0.486 41.462 40.800 0.293 0.000 1.101 51 D HN 0.637 nan 8.370 nan 0.000 0.505 52 I N -3.072 117.455 120.570 -0.071 0.000 2.916 52 I HA -0.135 4.041 4.170 0.010 0.000 0.267 52 I C 0.820 176.758 176.117 -0.299 0.000 1.263 52 I CA 0.700 61.855 61.300 -0.242 0.000 1.471 52 I CB -0.613 37.165 38.000 -0.370 0.000 1.089 52 I HN 0.225 nan 8.210 nan 0.000 0.468 53 Y N 1.911 122.294 120.300 0.138 0.000 2.457 53 Y HA 0.426 4.982 4.550 0.010 0.000 0.263 53 Y C 1.895 177.856 175.900 0.102 0.000 1.164 53 Y CA 0.240 58.410 58.100 0.118 0.000 1.274 53 Y CB 0.502 39.029 38.460 0.112 0.000 1.097 53 Y HN 0.357 nan 8.280 nan 0.000 0.523 54 G N 0.726 109.657 108.800 0.218 0.000 2.131 54 G HA2 -0.246 3.720 3.960 0.010 0.000 0.223 54 G HA3 -0.246 3.720 3.960 0.010 0.000 0.223 54 G C -0.078 175.005 174.900 0.304 0.000 0.990 54 G CA -0.516 44.674 45.100 0.150 0.000 0.671 54 G HN 0.287 nan 8.290 nan 0.000 0.521 55 K N 1.671 122.300 120.400 0.382 0.000 2.201 55 K HA 0.435 4.761 4.320 0.010 0.000 0.278 55 K C -2.306 174.565 176.600 0.452 0.000 1.027 55 K CA -1.837 54.674 56.287 0.374 0.000 0.909 55 K CB 1.839 34.484 32.500 0.242 0.000 1.062 55 K HN 0.084 nan 8.250 nan 0.000 0.465 56 P HA 0.022 nan 4.420 nan 0.000 0.268 56 P C -0.566 176.782 177.300 0.080 0.000 1.205 56 P CA -0.293 62.797 63.100 -0.017 0.000 0.771 56 P CB 0.576 32.274 31.700 -0.004 0.000 0.858 57 C N 1.983 121.272 119.300 -0.018 0.000 2.712 57 C HA 0.578 5.044 4.460 0.010 0.000 0.308 57 C C 0.323 175.409 174.990 0.159 0.000 1.201 57 C CA -0.162 58.927 59.018 0.117 0.000 1.554 57 C CB 1.891 29.707 27.740 0.127 0.000 2.117 57 C HN 0.608 nan 8.230 nan 0.000 0.480 58 T N 0.384 115.028 114.554 0.150 0.000 2.867 58 T HA 0.549 4.905 4.350 0.010 0.000 0.282 58 T C -0.425 174.262 174.700 -0.022 0.000 1.000 58 T CA -0.630 61.523 62.100 0.088 0.000 1.042 58 T CB 1.033 69.913 68.868 0.020 0.000 0.973 58 T HN 0.732 nan 8.240 nan 0.000 0.465 59 R N 1.325 121.702 120.500 -0.206 0.000 2.357 59 R HA 0.366 4.712 4.340 0.010 0.000 0.296 59 R C -0.604 175.313 176.300 -0.638 0.000 1.052 59 R CA -0.555 55.101 56.100 -0.740 0.000 0.988 59 R CB 0.513 30.331 30.300 -0.803 0.000 1.025 59 R HN 0.614 nan 8.270 nan 0.000 0.469 60 K N 4.969 124.861 120.400 -0.846 0.000 2.425 60 K HA 0.274 4.600 4.320 0.010 0.000 0.259 60 K C -0.855 175.111 176.600 -1.056 0.000 0.978 60 K CA -0.505 55.216 56.287 -0.943 0.000 0.883 60 K CB 1.589 33.368 32.500 -1.203 0.000 1.110 60 K HN 0.438 nan 8.250 nan 0.000 0.436 61 L N 4.794 125.514 121.223 -0.837 0.000 2.290 61 L HA 0.404 4.751 4.340 0.010 0.000 0.284 61 L C -0.972 175.437 176.870 -0.768 0.000 1.078 61 L CA -0.474 53.980 54.840 -0.643 0.000 0.815 61 L CB 0.304 42.120 42.059 -0.405 0.000 1.162 61 L HN 0.487 nan 8.230 nan 0.000 0.435 62 F N 2.181 121.916 119.950 -0.359 0.000 2.425 62 F HA 0.352 4.886 4.527 0.011 0.000 0.331 62 F C 1.202 176.844 175.800 -0.263 0.000 1.085 62 F CA -0.404 57.410 58.000 -0.309 0.000 1.028 62 F CB 1.618 40.423 39.000 -0.325 0.000 1.177 62 F HN 0.576 nan 8.300 nan 0.000 0.487 63 A N 2.097 124.904 122.820 -0.022 0.000 1.972 63 A HA -0.044 4.282 4.320 0.010 0.000 0.219 63 A C 0.262 177.799 177.584 -0.079 0.000 1.169 63 A CA 1.824 53.823 52.037 -0.065 0.000 0.635 63 A CB -0.960 18.013 19.000 -0.045 0.000 0.810 63 A HN 0.901 nan 8.150 nan 0.000 0.446 64 N N -4.717 113.938 118.700 -0.075 0.000 3.116 64 N HA 0.383 5.130 4.740 0.010 0.000 0.244 64 N C -0.032 175.347 175.510 -0.218 0.000 1.485 64 N CA -0.510 52.462 53.050 -0.129 0.000 0.884 64 N CB 0.215 38.651 38.487 -0.084 0.000 1.415 64 N HN -0.090 nan 8.380 nan 0.000 0.524 65 M N -0.301 119.142 119.600 -0.261 0.000 2.254 65 M HA 0.066 4.552 4.480 0.010 0.000 0.265 65 M C 1.675 177.832 176.300 -0.238 0.000 1.066 65 M CA 1.331 56.366 55.300 -0.442 0.000 1.123 65 M CB -0.260 32.165 32.600 -0.292 0.000 1.388 65 M HN 0.504 nan 8.290 nan 0.000 0.425 66 R N 0.344 120.783 120.500 -0.103 0.000 2.092 66 R HA -0.128 4.218 4.340 0.010 0.000 0.231 66 R C 1.667 177.923 176.300 -0.072 0.000 1.119 66 R CA 1.313 57.390 56.100 -0.040 0.000 0.970 66 R CB -0.269 30.022 30.300 -0.014 0.000 0.864 66 R HN 0.284 nan 8.270 nan 0.000 0.440 67 D N 0.414 120.752 120.400 -0.103 0.000 2.123 67 D HA -0.139 4.507 4.640 0.010 0.000 0.196 67 D C 1.787 177.886 176.300 -0.336 0.000 0.992 67 D CA 1.595 55.543 54.000 -0.087 0.000 0.833 67 D CB -0.269 40.551 40.800 0.033 0.000 0.954 67 D HN 0.251 nan 8.370 nan 0.000 0.455 68 A N 0.690 123.103 122.820 -0.678 0.000 1.883 68 A HA -0.194 4.132 4.320 0.010 0.000 0.217 68 A C 2.336 179.747 177.584 -0.287 0.000 1.186 68 A CA 2.658 54.016 52.037 -1.133 0.000 0.624 68 A CB -0.790 17.623 19.000 -0.978 0.000 0.822 68 A HN 0.346 nan 8.150 nan 0.000 0.444 69 S N -1.125 114.570 115.700 -0.008 0.000 2.402 69 S HA -0.179 4.297 4.470 0.010 0.000 0.229 69 S C 1.894 176.514 174.600 0.033 0.000 1.021 69 S CA 1.250 59.513 58.200 0.105 0.000 0.974 69 S CB -0.388 62.905 63.200 0.155 0.000 0.800 69 S HN 0.534 nan 8.310 nan 0.000 0.484 70 Q N 0.128 119.933 119.800 0.008 0.000 2.119 70 Q HA -0.063 4.283 4.340 0.010 0.000 0.201 70 Q C 1.692 177.728 176.000 0.061 0.000 0.972 70 Q CA 1.357 57.175 55.803 0.026 0.000 0.847 70 Q CB -0.608 28.149 28.738 0.032 0.000 0.903 70 Q HN 0.867 nan 8.270 nan 0.000 0.433 71 W N 1.475 122.702 121.300 -0.121 0.000 2.358 71 W HA -0.147 4.519 4.660 0.010 0.000 0.303 71 W C 1.808 178.311 176.519 -0.028 0.000 1.208 71 W CA 1.201 58.517 57.345 -0.049 0.000 1.274 71 W CB -0.359 29.077 29.460 -0.040 0.000 1.138 71 W HN 0.036 nan 8.180 nan 0.000 0.515 72 I N 0.835 121.399 120.570 -0.010 0.000 2.163 72 I HA -0.390 3.786 4.170 0.010 0.000 0.243 72 I C 2.444 178.441 176.117 -0.200 0.000 1.085 72 I CA 1.870 63.077 61.300 -0.154 0.000 1.347 72 I CB -0.695 37.303 38.000 -0.003 0.000 1.044 72 I HN -0.052 nan 8.210 nan 0.000 0.408 73 K N 0.448 120.781 120.400 -0.111 0.000 2.032 73 K HA -0.181 4.146 4.320 0.010 0.000 0.209 73 K C 2.283 178.805 176.600 -0.130 0.000 1.048 73 K CA 1.427 57.657 56.287 -0.096 0.000 0.927 73 K CB -0.210 32.261 32.500 -0.048 0.000 0.712 73 K HN 0.286 nan 8.250 nan 0.000 0.441 74 R N 0.030 120.439 120.500 -0.151 0.000 2.096 74 R HA -0.018 4.328 4.340 0.010 0.000 0.235 74 R C 2.334 178.494 176.300 -0.234 0.000 1.127 74 R CA 1.090 57.098 56.100 -0.154 0.000 0.968 74 R CB -0.140 30.099 30.300 -0.103 0.000 0.861 74 R HN 0.192 nan 8.270 nan 0.000 0.440 75 M N 0.421 119.772 119.600 -0.415 0.000 2.159 75 M HA -0.152 4.334 4.480 0.010 0.000 0.263 75 M C 2.081 178.232 176.300 -0.249 0.000 1.063 75 M CA 1.436 56.474 55.300 -0.436 0.000 1.110 75 M CB -0.705 31.440 32.600 -0.758 0.000 1.374 75 M HN 0.218 nan 8.290 nan 0.000 0.411 76 E N 0.537 120.612 120.200 -0.207 0.000 2.077 76 E HA -0.222 4.134 4.350 0.010 0.000 0.193 76 E C 1.328 177.867 176.600 -0.102 0.000 0.989 76 E CA 1.388 57.709 56.400 -0.133 0.000 0.800 76 E CB 0.146 29.780 29.700 -0.111 0.000 0.746 76 E HN 0.365 nan 8.360 nan 0.000 0.452 77 D N 0.512 120.852 120.400 -0.099 0.000 2.149 77 D HA -0.168 4.478 4.640 0.010 0.000 0.198 77 D C 2.013 178.274 176.300 -0.065 0.000 0.990 77 D CA 1.079 55.036 54.000 -0.071 0.000 0.839 77 D CB -0.173 40.590 40.800 -0.062 0.000 0.948 77 D HN 0.353 nan 8.370 nan 0.000 0.460 78 I N -0.420 120.102 120.570 -0.081 0.000 2.353 78 I HA -0.022 4.154 4.170 0.010 0.000 0.248 78 I C 1.422 177.508 176.117 -0.053 0.000 1.119 78 I CA 0.973 62.236 61.300 -0.062 0.000 1.417 78 I CB -0.085 37.874 38.000 -0.067 0.000 1.078 78 I HN 0.117 nan 8.210 nan 0.000 0.421 79 G N 1.601 110.361 108.800 -0.068 0.000 2.226 79 G HA2 -0.158 3.808 3.960 0.010 0.000 0.176 79 G HA3 -0.158 3.808 3.960 0.010 0.000 0.176 79 G C -0.317 174.558 174.900 -0.041 0.000 1.042 79 G CA -0.550 44.518 45.100 -0.052 0.000 0.732 79 G HN 0.187 nan 8.290 nan 0.000 0.494 80 L N -0.183 121.003 121.223 -0.061 0.000 2.370 80 L HA 0.567 4.913 4.340 0.010 0.000 0.266 80 L C 0.516 177.356 176.870 -0.050 0.000 1.002 80 L CA -1.024 53.798 54.840 -0.029 0.000 0.818 80 L CB 2.106 44.153 42.059 -0.020 0.000 1.325 80 L HN 0.264 nan 8.230 nan 0.000 0.418 81 E N 1.760 121.975 120.200 0.024 0.000 2.366 81 E HA 0.299 4.656 4.350 0.010 0.000 0.266 81 E C -0.628 175.966 176.600 -0.010 0.000 1.015 81 E CA -0.357 56.056 56.400 0.023 0.000 0.906 81 E CB 1.060 30.827 29.700 0.111 0.000 0.979 81 E HN 0.604 nan 8.360 nan 0.000 0.443 82 A N 5.834 128.623 122.820 -0.051 0.000 2.280 82 A HA 0.376 4.702 4.320 0.010 0.000 0.320 82 A C -0.844 176.835 177.584 0.159 0.000 1.366 82 A CA -0.604 51.440 52.037 0.010 0.000 0.938 82 A CB 0.166 19.056 19.000 -0.183 0.000 1.157 82 A HN 0.542 nan 8.150 nan 0.000 0.536 83 L N 2.130 123.504 121.223 0.252 0.000 2.375 83 L HA 0.849 5.195 4.340 0.010 0.000 0.268 83 L C 0.942 178.010 176.870 0.330 0.000 1.058 83 L CA 0.972 55.938 54.840 0.210 0.000 0.803 83 L CB 1.265 43.396 42.059 0.119 0.000 1.212 83 L HN 1.205 nan 8.230 nan 0.000 0.451 84 G N 1.478 110.420 108.800 0.237 0.000 2.479 84 G HA2 0.018 3.984 3.960 0.010 0.000 0.686 84 G HA3 0.018 3.984 3.960 0.010 0.000 0.686 84 G C -1.032 173.928 174.900 0.100 0.000 1.295 84 G CA -0.761 44.511 45.100 0.287 0.000 0.922 84 G HN 0.554 nan 8.290 nan 0.000 0.582 85 M N 2.228 121.817 119.600 -0.019 0.000 2.350 85 M HA 0.316 4.802 4.480 0.010 0.000 0.338 85 M C 1.507 177.698 176.300 -0.181 0.000 1.559 85 M CA -0.435 54.688 55.300 -0.295 0.000 1.217 85 M CB 0.267 32.335 32.600 -0.886 0.000 1.808 85 M HN 0.604 nan 8.290 nan 0.000 0.458 86 D N 1.703 121.949 120.400 -0.257 0.000 2.323 86 D HA -0.071 4.576 4.640 0.010 0.000 0.209 86 D C -0.241 175.571 176.300 -0.814 0.000 0.973 86 D CA 0.304 54.020 54.000 -0.473 0.000 0.874 86 D CB -0.302 40.334 40.800 -0.273 0.000 0.930 86 D HN 0.541 nan 8.370 nan 0.000 0.521 87 D N 0.003 120.114 120.400 -0.481 0.000 2.422 87 D HA 0.018 4.664 4.640 0.010 0.000 0.227 87 D C 0.374 176.529 176.300 -0.241 0.000 1.190 87 D CA -0.559 53.221 54.000 -0.367 0.000 0.905 87 D CB -0.054 40.632 40.800 -0.190 0.000 1.034 87 D HN -0.136 nan 8.370 nan 0.000 0.507 88 F N 2.791 122.762 119.950 0.035 0.000 2.234 88 F HA -0.123 4.410 4.527 0.010 0.000 0.299 88 F C 2.403 178.249 175.800 0.076 0.000 1.087 88 F CA 0.793 58.863 58.000 0.117 0.000 1.340 88 F CB -0.478 38.631 39.000 0.181 0.000 1.031 88 F HN 0.453 nan 8.300 nan 0.000 0.500 89 K N 0.714 121.214 120.400 0.166 0.000 2.147 89 K HA -0.127 4.199 4.320 0.010 0.000 0.205 89 K C 1.845 178.489 176.600 0.074 0.000 1.049 89 K CA 1.493 57.824 56.287 0.074 0.000 0.936 89 K CB -0.791 31.729 32.500 0.034 0.000 0.722 89 K HN 0.324 nan 8.250 nan 0.000 0.446 90 L N 1.016 122.269 121.223 0.050 0.000 2.109 90 L HA -0.073 4.273 4.340 0.010 0.000 0.207 90 L C 2.868 179.851 176.870 0.189 0.000 1.086 90 L CA 1.021 55.902 54.840 0.069 0.000 0.760 90 L CB -0.623 41.441 42.059 0.007 0.000 0.910 90 L HN 0.324 nan 8.230 nan 0.000 0.437 91 A N -0.389 122.536 122.820 0.175 0.000 1.902 91 A HA -0.291 4.035 4.320 0.010 0.000 0.217 91 A C 2.200 179.916 177.584 0.220 0.000 1.181 91 A CA 1.543 53.793 52.037 0.355 0.000 0.623 91 A CB -0.910 18.360 19.000 0.450 0.000 0.818 91 A HN 0.474 nan 8.150 nan 0.000 0.443 92 Y N 0.537 120.697 120.300 -0.234 0.000 2.097 92 Y HA -0.222 4.334 4.550 0.011 0.000 0.282 92 Y C 2.003 177.783 175.900 -0.200 0.000 1.152 92 Y CA 2.060 59.796 58.100 -0.606 0.000 1.136 92 Y CB -0.290 37.686 38.460 -0.807 0.000 0.975 92 Y HN 0.216 nan 8.280 nan 0.000 0.498 93 L N -0.876 120.300 121.223 -0.078 0.000 2.046 93 L HA -0.251 4.095 4.340 0.010 0.000 0.208 93 L C 2.826 179.691 176.870 -0.008 0.000 1.077 93 L CA 1.649 56.457 54.840 -0.054 0.000 0.747 93 L CB -0.838 41.158 42.059 -0.106 0.000 0.896 93 L HN 0.257 nan 8.230 nan 0.000 0.432 94 S N -0.445 115.284 115.700 0.049 0.000 2.368 94 S HA -0.200 4.276 4.470 0.010 0.000 0.225 94 S C 1.601 176.184 174.600 -0.028 0.000 1.030 94 S CA 1.565 59.792 58.200 0.044 0.000 0.999 94 S CB -0.148 63.145 63.200 0.155 0.000 0.844 94 S HN 0.400 nan 8.310 nan 0.000 0.459 95 D N 0.284 120.658 120.400 -0.044 0.000 2.149 95 D HA -0.006 4.640 4.640 0.010 0.000 0.201 95 D C 1.961 178.130 176.300 -0.219 0.000 0.972 95 D CA 1.343 55.301 54.000 -0.069 0.000 0.835 95 D CB -0.552 40.261 40.800 0.023 0.000 0.966 95 D HN 0.413 nan 8.370 nan 0.000 0.476 96 T N -0.893 113.395 114.554 -0.444 0.000 3.009 96 T HA -0.043 4.313 4.350 0.010 0.000 0.258 96 T C 0.435 174.647 174.700 -0.813 0.000 1.063 96 T CA 0.527 62.208 62.100 -0.699 0.000 1.139 96 T CB 0.020 68.232 68.868 -1.093 0.000 0.890 96 T HN 0.156 nan 8.240 nan 0.000 0.471 97 Y N 1.608 121.753 120.300 -0.259 0.000 2.553 97 Y HA 0.428 4.984 4.550 0.010 0.000 0.369 97 Y C 0.540 176.126 175.900 -0.523 0.000 0.964 97 Y CA -1.266 56.545 58.100 -0.481 0.000 1.156 97 Y CB -0.205 38.054 38.460 -0.334 0.000 1.218 97 Y HN -0.056 nan 8.280 nan 0.000 0.630 98 N N 2.450 121.028 118.700 -0.203 0.000 3.243 98 N HA 0.066 4.812 4.740 0.010 0.000 0.310 98 N C -1.439 174.133 175.510 0.104 0.000 1.313 98 N CA 0.106 53.130 53.050 -0.043 0.000 1.204 98 N CB -0.688 37.813 38.487 0.023 0.000 1.483 98 N HN 0.494 nan 8.380 nan 0.000 0.553 99 Y N -2.735 117.612 120.300 0.078 0.000 2.702 99 Y HA 0.328 4.885 4.550 0.010 0.000 0.336 99 Y C -0.414 175.534 175.900 0.080 0.000 1.203 99 Y CA -1.506 56.634 58.100 0.067 0.000 1.072 99 Y CB 0.438 38.942 38.460 0.073 0.000 1.327 99 Y HN -0.034 nan 8.280 nan 0.000 0.456 100 E N 2.242 122.587 120.200 0.242 0.000 2.328 100 E HA 0.226 4.582 4.350 0.010 0.000 0.265 100 E C -0.782 175.970 176.600 0.254 0.000 1.057 100 E CA -0.143 56.355 56.400 0.165 0.000 0.916 100 E CB 0.328 30.111 29.700 0.137 0.000 0.993 100 E HN 0.580 nan 8.360 nan 0.000 0.446 101 I N 5.624 126.284 120.570 0.150 0.000 2.598 101 I HA -0.008 4.168 4.170 0.010 0.000 0.284 101 I C 0.533 176.695 176.117 0.076 0.000 1.140 101 I CA 0.511 61.892 61.300 0.135 0.000 1.420 101 I CB 0.416 38.427 38.000 0.018 0.000 1.387 101 I HN 0.342 nan 8.210 nan 0.000 0.553 102 K N 7.684 128.106 120.400 0.037 0.000 2.316 102 K HA 0.309 4.635 4.320 0.010 0.000 0.267 102 K C -0.975 175.400 176.600 -0.375 0.000 1.025 102 K CA -0.654 55.559 56.287 -0.122 0.000 0.896 102 K CB 1.497 33.955 32.500 -0.070 0.000 1.124 102 K HN 0.438 nan 8.250 nan 0.000 0.451 103 Y N -0.466 119.405 120.300 -0.716 0.000 2.419 103 Y HA 0.473 5.029 4.550 0.011 0.000 0.328 103 Y C -0.376 175.057 175.900 -0.779 0.000 1.162 103 Y CA -1.277 55.985 58.100 -1.397 0.000 1.174 103 Y CB 1.084 38.535 38.460 -1.681 0.000 1.228 103 Y HN 0.333 nan 8.280 nan 0.000 0.473 104 D N 1.415 121.407 120.400 -0.679 0.000 2.453 104 D HA 0.098 4.744 4.640 0.010 0.000 0.238 104 D C 0.537 176.864 176.300 0.045 0.000 1.088 104 D CA -0.510 53.370 54.000 -0.200 0.000 0.854 104 D CB 0.208 41.003 40.800 -0.009 0.000 1.076 104 D HN 0.922 nan 8.370 nan 0.000 0.533 105 H N 1.025 120.147 119.070 0.086 0.000 2.456 105 H HA -0.138 4.424 4.556 0.010 0.000 0.296 105 H C 1.524 176.955 175.328 0.171 0.000 1.079 105 H CA 2.006 58.184 56.048 0.218 0.000 1.322 105 H CB -0.304 29.590 29.762 0.219 0.000 1.388 105 H HN 0.305 nan 8.280 nan 0.000 0.538 106 T N -1.812 112.477 114.554 -0.441 0.000 3.007 106 T HA -0.056 4.300 4.350 0.010 0.000 0.270 106 T C 1.457 176.147 174.700 -0.016 0.000 1.107 106 T CA 0.749 62.708 62.100 -0.234 0.000 1.118 106 T CB -0.073 68.632 68.868 -0.271 0.000 0.889 106 T HN 0.325 nan 8.240 nan 0.000 0.506 107 K N 0.580 121.022 120.400 0.070 0.000 2.393 107 K HA 0.348 4.674 4.320 0.010 0.000 0.193 107 K C 0.505 177.184 176.600 0.132 0.000 1.026 107 K CA 0.027 56.380 56.287 0.110 0.000 1.064 107 K CB 0.330 32.940 32.500 0.182 0.000 0.833 107 K HN 0.494 nan 8.250 nan 0.000 0.521 108 I N 2.219 122.904 120.570 0.192 0.000 2.304 108 I HA 0.172 4.348 4.170 0.010 0.000 0.291 108 I C 0.459 176.651 176.117 0.124 0.000 1.018 108 I CA -0.649 60.766 61.300 0.192 0.000 1.260 108 I CB 0.904 39.073 38.000 0.282 0.000 1.390 108 I HN -0.157 nan 8.210 nan 0.000 0.475 109 R N 6.119 126.654 120.500 0.059 0.000 2.357 109 R HA 0.284 4.630 4.340 0.010 0.000 0.330 109 R C -1.124 175.197 176.300 0.035 0.000 1.102 109 R CA -0.190 55.918 56.100 0.013 0.000 0.974 109 R CB 0.296 30.555 30.300 -0.068 0.000 1.002 109 R HN 0.446 nan 8.270 nan 0.000 0.463 110 V N 4.340 124.302 119.914 0.081 0.000 2.350 110 V HA 0.450 4.576 4.120 0.010 0.000 0.276 110 V C 0.113 176.273 176.094 0.110 0.000 1.028 110 V CA -0.685 61.686 62.300 0.118 0.000 0.860 110 V CB 1.257 33.190 31.823 0.184 0.000 0.990 110 V HN 0.835 nan 8.190 nan 0.000 0.453 111 A N 4.480 127.341 122.820 0.069 0.000 2.318 111 A HA 0.772 5.098 4.320 0.010 0.000 0.324 111 A C -0.303 177.353 177.584 0.119 0.000 1.170 111 A CA -0.612 51.431 52.037 0.010 0.000 0.810 111 A CB 0.824 19.721 19.000 -0.172 0.000 1.198 111 A HN 0.843 nan 8.150 nan 0.000 0.484 112 N N 1.557 120.366 118.700 0.181 0.000 2.399 112 N HA 0.677 5.423 4.740 0.010 0.000 0.280 112 N C -1.065 174.660 175.510 0.359 0.000 1.008 112 N CA -0.551 52.677 53.050 0.297 0.000 0.894 112 N CB 0.864 39.514 38.487 0.273 0.000 1.273 112 N HN 0.570 nan 8.380 nan 0.000 0.486 113 F N 0.679 120.724 119.950 0.158 0.000 2.629 113 F HA 0.811 5.344 4.527 0.009 0.000 0.316 113 F C -1.318 174.632 175.800 0.249 0.000 1.081 113 F CA -1.257 56.877 58.000 0.224 0.000 0.954 113 F CB 1.526 40.695 39.000 0.282 0.000 1.337 113 F HN 0.398 nan 8.300 nan 0.000 0.474 114 D N 1.461 121.881 120.400 0.032 0.000 2.859 114 D HA 0.598 5.245 4.640 0.010 0.000 0.223 114 D C -1.399 174.913 176.300 0.020 0.000 1.218 114 D CA -0.449 53.495 54.000 -0.094 0.000 0.850 114 D CB 2.306 43.128 40.800 0.036 0.000 1.656 114 D HN 0.871 nan 8.370 nan 0.000 0.484 115 I N -0.817 119.754 120.570 0.001 0.000 2.740 115 I HA 0.726 4.902 4.170 0.010 0.000 0.303 115 I C -0.908 175.240 176.117 0.051 0.000 1.044 115 I CA -0.693 60.642 61.300 0.057 0.000 1.064 115 I CB 2.140 40.175 38.000 0.058 0.000 1.249 115 I HN 0.097 nan 8.210 nan 0.000 0.433 116 E N 4.307 124.522 120.200 0.025 0.000 2.212 116 E HA 0.608 4.964 4.350 0.010 0.000 0.268 116 E C -1.230 175.421 176.600 0.085 0.000 0.902 116 E CA -0.797 55.612 56.400 0.014 0.000 0.779 116 E CB 2.924 32.537 29.700 -0.145 0.000 1.172 116 E HN 0.523 nan 8.360 nan 0.000 0.409 117 V N 2.257 122.209 119.914 0.064 0.000 2.488 117 V HA 0.198 4.324 4.120 0.010 0.000 0.293 117 V C -0.153 175.953 176.094 0.020 0.000 1.027 117 V CA -0.768 61.538 62.300 0.010 0.000 0.862 117 V CB 1.919 33.597 31.823 -0.242 0.000 1.008 117 V HN 0.596 nan 8.190 nan 0.000 0.428 118 T N 3.439 118.031 114.554 0.064 0.000 2.851 118 T HA 0.351 4.707 4.350 0.010 0.000 0.298 118 T C 0.203 174.701 174.700 -0.336 0.000 0.977 118 T CA 0.266 62.318 62.100 -0.081 0.000 1.126 118 T CB 0.939 69.772 68.868 -0.058 0.000 0.916 118 T HN 0.701 nan 8.240 nan 0.000 0.529 119 S N 3.805 119.228 115.700 -0.462 0.000 2.776 119 S HA 0.434 4.910 4.470 0.010 0.000 0.284 119 S C -1.944 172.361 174.600 -0.492 0.000 1.160 119 S CA -1.422 56.323 58.200 -0.758 0.000 1.051 119 S CB 1.414 64.181 63.200 -0.721 0.000 1.037 119 S HN 0.434 nan 8.310 nan 0.000 0.485 120 P HA 0.105 nan 4.420 nan 0.000 0.227 120 P C -0.037 177.194 177.300 -0.116 0.000 1.161 120 P CA 0.669 63.611 63.100 -0.263 0.000 0.788 120 P CB -0.173 31.374 31.700 -0.256 0.000 0.822 121 D N -0.609 119.744 120.400 -0.080 0.000 3.058 121 D HA 0.422 5.068 4.640 0.010 0.000 0.272 121 D C 0.918 177.251 176.300 0.054 0.000 1.350 121 D CA -0.651 53.364 54.000 0.026 0.000 0.863 121 D CB -0.198 40.661 40.800 0.097 0.000 1.064 121 D HN 0.212 nan 8.370 nan 0.000 0.488 122 G N 0.211 109.027 108.800 0.027 0.000 2.587 122 G HA2 -0.166 3.800 3.960 0.010 0.000 0.212 122 G HA3 -0.166 3.800 3.960 0.010 0.000 0.212 122 G C -0.709 174.260 174.900 0.116 0.000 1.327 122 G CA -0.750 44.407 45.100 0.094 0.000 0.898 122 G HN 0.342 nan 8.290 nan 0.000 0.551 123 F N 3.951 123.933 119.950 0.054 0.000 2.578 123 F HA 0.490 5.019 4.527 0.004 0.000 0.381 123 F C -0.993 174.901 175.800 0.157 0.000 1.069 123 F CA -1.103 56.939 58.000 0.069 0.000 1.231 123 F CB 0.747 39.787 39.000 0.067 0.000 1.086 123 F HN 0.318 nan 8.300 nan 0.000 0.564 124 P HA 0.034 nan 4.420 nan 0.000 0.277 124 P C -0.942 176.353 177.300 -0.008 0.000 1.354 124 P CA -0.062 63.000 63.100 -0.062 0.000 0.891 124 P CB 0.481 32.166 31.700 -0.025 0.000 1.058 125 E N 5.679 126.022 120.200 0.239 0.000 2.351 125 E HA 0.025 4.382 4.350 0.010 0.000 0.266 125 E C -1.279 175.494 176.600 0.289 0.000 1.031 125 E CA -1.546 55.062 56.400 0.346 0.000 0.911 125 E CB 0.552 30.431 29.700 0.299 0.000 0.986 125 E HN 0.381 nan 8.360 nan 0.000 0.446 126 P HA -0.119 nan 4.420 nan 0.000 0.218 126 P C 1.110 178.387 177.300 -0.039 0.000 1.148 126 P CA 1.003 64.176 63.100 0.120 0.000 0.822 126 P CB 0.362 32.156 31.700 0.156 0.000 0.784 127 S N -0.538 115.189 115.700 0.046 0.000 2.423 127 S HA -0.113 4.363 4.470 0.010 0.000 0.231 127 S C 1.924 176.504 174.600 -0.032 0.000 1.014 127 S CA 1.022 59.230 58.200 0.014 0.000 0.965 127 S CB -0.402 62.828 63.200 0.049 0.000 0.785 127 S HN 0.258 nan 8.310 nan 0.000 0.495 128 Q N 0.323 120.101 119.800 -0.036 0.000 2.226 128 Q HA 0.346 4.692 4.340 0.010 0.000 0.199 128 Q C 1.192 177.084 176.000 -0.179 0.000 0.945 128 Q CA 0.720 56.483 55.803 -0.067 0.000 0.861 128 Q CB -0.659 28.075 28.738 -0.007 0.000 0.953 128 Q HN 0.442 nan 8.270 nan 0.000 0.490 129 A N 2.430 125.062 122.820 -0.314 0.000 2.511 129 A HA -0.255 4.071 4.320 0.010 0.000 0.297 129 A C 1.107 178.516 177.584 -0.291 0.000 1.476 129 A CA 1.448 53.076 52.037 -0.681 0.000 0.757 129 A CB -1.856 16.603 19.000 -0.903 0.000 1.072 129 A HN 0.538 nan 8.150 nan 0.000 0.413 130 K N -0.751 119.548 120.400 -0.168 0.000 2.404 130 K HA 0.158 4.485 4.320 0.010 0.000 0.194 130 K C 0.189 176.626 176.600 -0.271 0.000 1.023 130 K CA 0.677 56.815 56.287 -0.248 0.000 1.094 130 K CB 0.127 32.441 32.500 -0.310 0.000 0.841 130 K HN 0.796 nan 8.250 nan 0.000 0.523 131 H N 1.099 120.317 119.070 0.246 0.000 2.529 131 H HA 0.358 4.922 4.556 0.013 0.000 0.348 131 H C -2.651 172.856 175.328 0.298 0.000 1.152 131 H CA -2.295 53.941 56.048 0.313 0.000 1.202 131 H CB 1.425 31.381 29.762 0.322 0.000 1.562 131 H HN -0.065 nan 8.280 nan 0.000 0.515 132 P HA 0.000 nan 4.420 nan 0.000 0.268 132 P C -0.280 177.165 177.300 0.242 0.000 1.205 132 P CA 0.190 63.424 63.100 0.223 0.000 0.771 132 P CB 0.611 32.397 31.700 0.143 0.000 0.858 133 I N 3.235 123.920 120.570 0.192 0.000 2.379 133 I HA 0.046 4.222 4.170 0.010 0.000 0.290 133 I C 0.860 177.057 176.117 0.133 0.000 1.063 133 I CA 0.336 61.719 61.300 0.139 0.000 1.351 133 I CB 0.611 38.674 38.000 0.106 0.000 1.410 133 I HN 0.424 nan 8.210 nan 0.000 0.505 134 D N 4.344 124.849 120.400 0.176 0.000 2.407 134 D HA 0.312 4.958 4.640 0.010 0.000 0.208 134 D C 0.122 176.589 176.300 0.279 0.000 1.083 134 D CA -0.101 54.037 54.000 0.229 0.000 0.844 134 D CB 0.689 41.644 40.800 0.258 0.000 0.967 134 D HN 0.385 nan 8.370 nan 0.000 0.506 135 A N 0.274 123.221 122.820 0.211 0.000 2.540 135 A HA 0.655 4.981 4.320 0.010 0.000 0.297 135 A C -1.555 176.098 177.584 0.116 0.000 1.056 135 A CA -0.785 51.361 52.037 0.181 0.000 0.700 135 A CB 1.085 20.160 19.000 0.126 0.000 1.280 135 A HN 0.144 nan 8.150 nan 0.000 0.398 136 I N 1.582 122.249 120.570 0.162 0.000 2.499 136 I HA 0.447 4.623 4.170 0.010 0.000 0.288 136 I C -0.434 175.891 176.117 0.346 0.000 1.048 136 I CA -0.386 61.014 61.300 0.167 0.000 1.062 136 I CB 2.649 40.571 38.000 -0.131 0.000 1.238 136 I HN 0.555 nan 8.210 nan 0.000 0.426 137 T N 3.653 118.415 114.554 0.347 0.000 2.779 137 T HA 0.350 4.706 4.350 0.010 0.000 0.280 137 T C -0.992 174.076 174.700 0.613 0.000 0.987 137 T CA -0.427 61.937 62.100 0.439 0.000 0.966 137 T CB 0.702 69.753 68.868 0.305 0.000 0.933 137 T HN 0.531 nan 8.240 nan 0.000 0.442 138 H N 2.320 121.756 119.070 0.611 0.000 2.906 138 H HA 0.444 5.006 4.556 0.010 0.000 0.324 138 H C -1.515 174.174 175.328 0.601 0.000 0.973 138 H CA -0.803 55.651 56.048 0.678 0.000 1.321 138 H CB 0.574 30.813 29.762 0.796 0.000 1.535 138 H HN 0.678 nan 8.280 nan 0.000 0.518 139 Y N 4.736 125.222 120.300 0.310 0.000 2.308 139 Y HA 0.232 4.788 4.550 0.010 0.000 0.329 139 Y C -0.671 175.336 175.900 0.179 0.000 1.111 139 Y CA -0.368 57.772 58.100 0.067 0.000 1.179 139 Y CB 0.909 39.167 38.460 -0.336 0.000 1.201 139 Y HN 0.651 nan 8.280 nan 0.000 0.483 140 D N 3.556 123.654 120.400 -0.503 0.000 2.391 140 D HA 0.106 4.752 4.640 0.010 0.000 0.245 140 D C 0.352 176.244 176.300 -0.681 0.000 1.069 140 D CA -0.030 53.801 54.000 -0.281 0.000 0.831 140 D CB 1.970 42.835 40.800 0.108 0.000 1.204 140 D HN 0.768 nan 8.370 nan 0.000 0.503 141 S N 3.460 119.000 115.700 -0.266 0.000 2.428 141 S HA -0.073 4.403 4.470 0.010 0.000 0.230 141 S C 2.025 176.617 174.600 -0.013 0.000 1.014 141 S CA 0.305 58.482 58.200 -0.038 0.000 0.957 141 S CB -0.119 63.190 63.200 0.182 0.000 0.784 141 S HN 0.622 nan 8.310 nan 0.000 0.499 142 I N 2.099 122.650 120.570 -0.032 0.000 2.193 142 I HA -0.100 4.076 4.170 0.010 0.000 0.240 142 I C 1.924 178.037 176.117 -0.007 0.000 1.084 142 I CA 1.388 62.685 61.300 -0.005 0.000 1.365 142 I CB -0.407 37.584 38.000 -0.014 0.000 1.064 142 I HN 0.205 nan 8.210 nan 0.000 0.410 143 D N 0.245 120.633 120.400 -0.019 0.000 2.224 143 D HA -0.166 4.480 4.640 0.010 0.000 0.205 143 D C 0.658 176.945 176.300 -0.023 0.000 0.965 143 D CA 1.071 55.084 54.000 0.023 0.000 0.852 143 D CB -0.407 40.481 40.800 0.146 0.000 0.947 143 D HN 0.234 nan 8.370 nan 0.000 0.494 144 D N -0.047 120.270 120.400 -0.140 0.000 2.699 144 D HA -0.172 4.474 4.640 0.010 0.000 0.239 144 D C -0.887 175.380 176.300 -0.055 0.000 1.136 144 D CA 0.518 54.470 54.000 -0.080 0.000 0.668 144 D CB -0.394 40.474 40.800 0.114 0.000 1.060 144 D HN 0.048 nan 8.370 nan 0.000 0.429 145 R N 0.046 120.375 120.500 -0.285 0.000 2.744 145 R HA 0.506 4.852 4.340 0.010 0.000 0.279 145 R C -0.537 175.610 176.300 -0.256 0.000 0.977 145 R CA -0.670 55.310 56.100 -0.200 0.000 0.906 145 R CB 0.716 30.785 30.300 -0.385 0.000 1.197 145 R HN 0.003 nan 8.270 nan 0.000 0.463 146 F N 2.172 122.107 119.950 -0.024 0.000 2.361 146 F HA 0.354 4.887 4.527 0.010 0.000 0.364 146 F C 0.031 175.787 175.800 -0.074 0.000 1.120 146 F CA -0.527 57.550 58.000 0.128 0.000 1.102 146 F CB 0.603 39.693 39.000 0.150 0.000 1.183 146 F HN 0.284 nan 8.300 nan 0.000 0.476 147 Y N 2.620 123.109 120.300 0.315 0.000 2.383 147 Y HA 0.481 5.037 4.550 0.010 0.000 0.344 147 Y C -0.090 175.864 175.900 0.090 0.000 0.986 147 Y CA -0.823 57.322 58.100 0.074 0.000 1.175 147 Y CB 0.951 39.344 38.460 -0.112 0.000 1.152 147 Y HN 0.192 nan 8.280 nan 0.000 0.511 148 V N 5.618 125.544 119.914 0.020 0.000 2.357 148 V HA 0.305 4.431 4.120 0.010 0.000 0.284 148 V C -0.740 175.301 176.094 -0.088 0.000 1.018 148 V CA -0.969 61.374 62.300 0.073 0.000 0.841 148 V CB 0.386 32.235 31.823 0.042 0.000 0.991 148 V HN 0.453 nan 8.190 nan 0.000 0.437 149 F N 3.049 123.095 119.950 0.161 0.000 2.361 149 F HA 0.516 5.050 4.527 0.012 0.000 0.364 149 F C 0.138 176.079 175.800 0.234 0.000 1.117 149 F CA -0.712 57.439 58.000 0.251 0.000 1.071 149 F CB 1.292 40.377 39.000 0.142 0.000 1.188 149 F HN 0.421 nan 8.300 nan 0.000 0.464 150 D N 3.870 124.519 120.400 0.415 0.000 2.408 150 D HA 0.293 4.939 4.640 0.010 0.000 0.243 150 D C -1.368 175.178 176.300 0.410 0.000 1.075 150 D CA -0.553 53.680 54.000 0.388 0.000 0.832 150 D CB 1.565 42.625 40.800 0.433 0.000 1.162 150 D HN 0.364 nan 8.370 nan 0.000 0.515 151 L N 5.165 126.601 121.223 0.356 0.000 2.278 151 L HA 0.315 4.661 4.340 0.010 0.000 0.287 151 L C 0.289 177.269 176.870 0.183 0.000 1.072 151 L CA 0.004 55.005 54.840 0.269 0.000 0.819 151 L CB 0.638 42.817 42.059 0.200 0.000 1.176 151 L HN 0.610 nan 8.230 nan 0.000 0.435 152 L N 3.798 125.101 121.223 0.133 0.000 2.307 152 L HA 0.204 4.550 4.340 0.010 0.000 0.211 152 L C 0.188 177.056 176.870 -0.004 0.000 1.099 152 L CA 0.203 55.054 54.840 0.018 0.000 0.816 152 L CB -0.234 41.848 42.059 0.038 0.000 0.952 152 L HN 0.625 nan 8.230 nan 0.000 0.455 153 N N 0.143 118.865 118.700 0.037 0.000 2.399 153 N HA 0.314 5.060 4.740 0.010 0.000 0.284 153 N C -1.075 174.443 175.510 0.013 0.000 1.025 153 N CA 0.104 53.163 53.050 0.016 0.000 0.885 153 N CB 2.408 40.907 38.487 0.020 0.000 1.339 153 N HN -0.137 nan 8.380 nan 0.000 0.487 154 S N 1.475 117.169 115.700 -0.011 0.000 2.588 154 S HA 0.539 5.015 4.470 0.010 0.000 0.275 154 S C -2.043 172.491 174.600 -0.111 0.000 1.130 154 S CA -1.436 56.739 58.200 -0.041 0.000 0.855 154 S CB 1.586 64.796 63.200 0.016 0.000 1.116 154 S HN 0.227 nan 8.310 nan 0.000 0.472 155 P HA -0.019 nan 4.420 nan 0.000 0.225 155 P C 0.110 177.220 177.300 -0.317 0.000 1.148 155 P CA 1.060 63.959 63.100 -0.335 0.000 0.779 155 P CB -0.168 31.222 31.700 -0.516 0.000 0.780 156 Y N -0.123 120.185 120.300 0.013 0.000 2.485 156 Y HA 0.535 5.089 4.550 0.007 0.000 0.260 156 Y C 1.433 177.318 175.900 -0.025 0.000 1.173 156 Y CA -0.223 57.875 58.100 -0.003 0.000 1.252 156 Y CB 0.079 38.535 38.460 -0.006 0.000 1.123 156 Y HN -0.052 nan 8.280 nan 0.000 0.524 157 G N 0.304 109.143 108.800 0.065 0.000 2.306 157 G HA2 -0.021 3.945 3.960 0.010 0.000 0.340 157 G HA3 -0.021 3.945 3.960 0.010 0.000 0.340 157 G C -1.625 173.268 174.900 -0.011 0.000 1.630 157 G CA -1.294 43.819 45.100 0.021 0.000 0.937 157 G HN -0.039 nan 8.290 nan 0.000 0.693 158 N N 0.030 118.717 118.700 -0.021 0.000 2.438 158 N HA 0.679 5.425 4.740 0.010 0.000 0.282 158 N C 0.434 175.908 175.510 -0.060 0.000 1.037 158 N CA -0.174 52.855 53.050 -0.035 0.000 0.942 158 N CB 2.193 40.668 38.487 -0.020 0.000 1.136 158 N HN 1.169 nan 8.380 nan 0.000 0.481 159 V N -1.210 118.636 119.914 -0.114 0.000 3.126 159 V HA 0.608 4.734 4.120 0.010 0.000 0.314 159 V C 0.051 176.061 176.094 -0.140 0.000 1.138 159 V CA -0.958 61.236 62.300 -0.176 0.000 1.034 159 V CB 2.221 33.792 31.823 -0.419 0.000 1.075 159 V HN 0.329 nan 8.190 nan 0.000 0.442 160 E N 0.502 120.657 120.200 -0.074 0.000 2.312 160 E HA 0.378 4.734 4.350 0.010 0.000 0.259 160 E C -0.254 176.413 176.600 0.111 0.000 1.122 160 E CA -0.450 55.963 56.400 0.021 0.000 0.922 160 E CB 0.880 30.610 29.700 0.049 0.000 1.109 160 E HN 0.812 nan 8.360 nan 0.000 0.442 161 E N 0.555 120.865 120.200 0.184 0.000 2.415 161 E HA -0.059 4.297 4.350 0.010 0.000 0.262 161 E C -0.433 176.380 176.600 0.355 0.000 1.038 161 E CA -0.031 56.581 56.400 0.354 0.000 0.921 161 E CB 0.498 30.388 29.700 0.316 0.000 0.950 161 E HN 0.317 nan 8.360 nan 0.000 0.438 162 W N 2.927 124.339 121.300 0.187 0.000 2.181 162 W HA 0.019 4.686 4.660 0.011 0.000 0.335 162 W C -0.077 176.259 176.519 -0.305 0.000 1.310 162 W CA -0.015 57.242 57.345 -0.147 0.000 1.226 162 W CB 0.752 29.996 29.460 -0.360 0.000 1.155 162 W HN 0.214 nan 8.180 nan 0.000 0.565 163 S N 7.044 122.194 115.700 -0.916 0.000 2.438 163 S HA 0.214 4.690 4.470 0.010 0.000 0.316 163 S C 0.699 174.422 174.600 -1.461 0.000 1.084 163 S CA -0.782 56.875 58.200 -0.905 0.000 1.107 163 S CB 0.669 63.583 63.200 -0.477 0.000 0.981 163 S HN 0.693 nan 8.310 nan 0.000 0.466 164 I N 4.247 124.018 120.570 -1.331 0.000 2.493 164 I HA -0.101 4.075 4.170 0.010 0.000 0.254 164 I C 1.692 177.490 176.117 -0.533 0.000 1.160 164 I CA 1.438 62.093 61.300 -1.075 0.000 1.445 164 I CB 0.155 37.848 38.000 -0.511 0.000 1.086 164 I HN 0.696 nan 8.210 nan 0.000 0.433 165 E N 0.842 120.794 120.200 -0.413 0.000 2.047 165 E HA -0.172 4.184 4.350 0.010 0.000 0.191 165 E C 2.072 178.534 176.600 -0.229 0.000 0.987 165 E CA 1.504 57.754 56.400 -0.249 0.000 0.799 165 E CB -0.224 29.362 29.700 -0.191 0.000 0.752 165 E HN 0.490 nan 8.360 nan 0.000 0.449 166 I N 0.767 121.168 120.570 -0.281 0.000 2.315 166 I HA -0.244 3.932 4.170 0.010 0.000 0.248 166 I C 2.296 178.301 176.117 -0.186 0.000 1.117 166 I CA 0.926 62.100 61.300 -0.211 0.000 1.404 166 I CB -0.305 37.569 38.000 -0.210 0.000 1.071 166 I HN 0.095 nan 8.210 nan 0.000 0.419 167 A N 0.803 123.454 122.820 -0.282 0.000 1.940 167 A HA -0.188 4.138 4.320 0.010 0.000 0.219 167 A C 2.485 180.046 177.584 -0.038 0.000 1.176 167 A CA 1.941 53.916 52.037 -0.104 0.000 0.631 167 A CB -0.742 18.237 19.000 -0.034 0.000 0.814 167 A HN 0.442 nan 8.150 nan 0.000 0.446 168 A N -0.680 122.086 122.820 -0.090 0.000 2.066 168 A HA 0.081 4.407 4.320 0.010 0.000 0.218 168 A C 1.241 178.801 177.584 -0.040 0.000 1.157 168 A CA 0.729 52.734 52.037 -0.054 0.000 0.670 168 A CB -0.164 18.793 19.000 -0.072 0.000 0.804 168 A HN 0.519 nan 8.150 nan 0.000 0.453 169 K N -0.335 120.035 120.400 -0.050 0.000 2.258 169 K HA 0.378 4.704 4.320 0.010 0.000 0.264 169 K C -0.564 176.029 176.600 -0.013 0.000 1.007 169 K CA -0.580 55.686 56.287 -0.036 0.000 0.941 169 K CB 0.436 32.908 32.500 -0.046 0.000 0.966 169 K HN 0.176 nan 8.250 nan 0.000 0.480 170 L N 2.726 123.944 121.223 -0.009 0.000 2.506 170 L HA -0.120 4.226 4.340 0.010 0.000 0.281 170 L C 1.766 178.643 176.870 0.012 0.000 1.228 170 L CA 0.730 55.572 54.840 0.002 0.000 0.850 170 L CB 0.326 42.384 42.059 -0.002 0.000 1.110 170 L HN 0.604 nan 8.230 nan 0.000 0.496 171 Q N 1.265 121.081 119.800 0.027 0.000 2.234 171 Q HA -0.210 4.136 4.340 0.010 0.000 0.206 171 Q C 1.324 177.339 176.000 0.025 0.000 0.980 171 Q CA 1.487 57.315 55.803 0.041 0.000 0.869 171 Q CB 0.095 28.868 28.738 0.058 0.000 0.912 171 Q HN 0.650 nan 8.270 nan 0.000 0.436 172 E N 0.306 120.514 120.200 0.014 0.000 2.427 172 E HA -0.074 4.282 4.350 0.010 0.000 0.196 172 E C 1.106 177.707 176.600 0.001 0.000 1.028 172 E CA 0.411 56.815 56.400 0.008 0.000 0.864 172 E CB 0.163 29.865 29.700 0.003 0.000 0.813 172 E HN 0.313 nan 8.360 nan 0.000 0.514 173 Q N -0.811 118.987 119.800 -0.002 0.000 2.280 173 Q HA 0.174 4.520 4.340 0.010 0.000 0.201 173 Q C 0.549 176.542 176.000 -0.011 0.000 0.890 173 Q CA 0.319 56.116 55.803 -0.010 0.000 0.947 173 Q CB 0.847 29.575 28.738 -0.017 0.000 1.081 173 Q HN 0.353 nan 8.270 nan 0.000 0.502 174 G N 0.208 109.006 108.800 -0.003 0.000 2.143 174 G HA2 -0.249 3.717 3.960 0.010 0.000 0.249 174 G HA3 -0.249 3.717 3.960 0.010 0.000 0.249 174 G C 0.364 175.258 174.900 -0.009 0.000 0.981 174 G CA -0.114 44.984 45.100 -0.003 0.000 0.665 174 G HN 0.516 nan 8.290 nan 0.000 0.528 175 G N -1.099 107.698 108.800 -0.006 0.000 2.525 175 G HA2 0.517 4.483 3.960 0.010 0.000 0.287 175 G HA3 0.517 4.483 3.960 0.010 0.000 0.287 175 G C 0.328 175.245 174.900 0.029 0.000 1.350 175 G CA 0.434 45.528 45.100 -0.010 0.000 1.039 175 G HN 0.084 nan 8.290 nan 0.000 0.513 176 D N -0.989 119.440 120.400 0.048 0.000 2.441 176 D HA 0.075 4.721 4.640 0.010 0.000 0.210 176 D C 0.371 176.764 176.300 0.154 0.000 1.102 176 D CA 0.043 54.124 54.000 0.134 0.000 0.840 176 D CB 0.591 41.482 40.800 0.151 0.000 0.990 176 D HN 0.632 nan 8.370 nan 0.000 0.505 177 E N 0.580 120.827 120.200 0.080 0.000 2.297 177 E HA -0.159 4.198 4.350 0.010 0.000 0.228 177 E C -0.584 176.049 176.600 0.055 0.000 1.213 177 E CA -0.182 56.251 56.400 0.054 0.000 0.712 177 E CB -0.915 28.815 29.700 0.049 0.000 1.202 177 E HN 0.033 nan 8.360 nan 0.000 0.376 178 V N 1.338 121.287 119.914 0.058 0.000 2.485 178 V HA 0.041 4.167 4.120 0.010 0.000 0.287 178 V C -1.674 174.404 176.094 -0.028 0.000 1.022 178 V CA -0.680 61.634 62.300 0.024 0.000 1.067 178 V CB 0.369 32.223 31.823 0.052 0.000 0.967 178 V HN 0.165 nan 8.190 nan 0.000 0.479 179 P HA -0.044 nan 4.420 nan 0.000 0.260 179 P C 1.010 178.256 177.300 -0.090 0.000 1.172 179 P CA 0.558 63.630 63.100 -0.047 0.000 0.760 179 P CB 0.538 32.225 31.700 -0.021 0.000 0.773 180 S N 3.560 119.232 115.700 -0.046 0.000 2.387 180 S HA -0.212 4.264 4.470 0.010 0.000 0.230 180 S C 1.567 176.137 174.600 -0.051 0.000 1.035 180 S CA 1.634 59.809 58.200 -0.042 0.000 1.014 180 S CB -0.590 62.596 63.200 -0.022 0.000 0.836 180 S HN 0.616 nan 8.310 nan 0.000 0.466 181 E N 1.360 121.529 120.200 -0.052 0.000 2.409 181 E HA -0.122 4.235 4.350 0.010 0.000 0.198 181 E C 1.827 178.377 176.600 -0.083 0.000 1.024 181 E CA 1.223 57.601 56.400 -0.038 0.000 0.861 181 E CB -0.535 29.173 29.700 0.015 0.000 0.788 181 E HN 0.919 nan 8.360 nan 0.000 0.521 182 I N -3.249 117.199 120.570 -0.202 0.000 4.139 182 I HA 0.118 4.294 4.170 0.010 0.000 0.335 182 I C 1.796 177.822 176.117 -0.153 0.000 1.327 182 I CA -0.430 60.727 61.300 -0.238 0.000 1.112 182 I CB 0.065 37.658 38.000 -0.679 0.000 1.058 182 I HN -0.237 nan 8.210 nan 0.000 0.396 183 I N 2.817 123.323 120.570 -0.107 0.000 2.151 183 I HA -0.267 3.909 4.170 0.010 0.000 0.243 183 I C 1.629 177.751 176.117 0.008 0.000 1.080 183 I CA 1.824 63.100 61.300 -0.040 0.000 1.339 183 I CB -1.057 36.923 38.000 -0.032 0.000 1.039 183 I HN 0.352 nan 8.210 nan 0.000 0.409 184 D N 0.488 120.896 120.400 0.014 0.000 2.371 184 D HA -0.081 4.565 4.640 0.010 0.000 0.221 184 D C 1.712 178.049 176.300 0.062 0.000 0.986 184 D CA 0.640 54.662 54.000 0.036 0.000 0.899 184 D CB -0.060 40.758 40.800 0.031 0.000 0.902 184 D HN 0.407 nan 8.370 nan 0.000 0.530 185 K N -0.096 120.359 120.400 0.092 0.000 2.358 185 K HA 0.226 4.553 4.320 0.010 0.000 0.197 185 K C 0.391 177.106 176.600 0.191 0.000 1.025 185 K CA -0.079 56.309 56.287 0.167 0.000 1.104 185 K CB 1.129 33.812 32.500 0.306 0.000 0.855 185 K HN 0.092 nan 8.250 nan 0.000 0.531 186 I N 2.064 122.708 120.570 0.123 0.000 2.342 186 I HA 0.175 4.352 4.170 0.010 0.000 0.291 186 I C -0.127 176.034 176.117 0.074 0.000 1.010 186 I CA -0.420 60.948 61.300 0.113 0.000 1.308 186 I CB 0.915 38.978 38.000 0.105 0.000 1.400 186 I HN -0.085 nan 8.210 nan 0.000 0.488 187 I N 7.342 127.905 120.570 -0.011 0.000 2.359 187 I HA 0.185 4.361 4.170 0.010 0.000 0.284 187 I C -0.921 175.221 176.117 0.042 0.000 1.018 187 I CA -0.689 60.599 61.300 -0.019 0.000 1.173 187 I CB 0.898 38.795 38.000 -0.173 0.000 1.326 187 I HN 0.453 nan 8.210 nan 0.000 0.462 188 Y N 8.086 128.380 120.300 -0.010 0.000 2.328 188 Y HA 0.627 5.183 4.550 0.010 0.000 0.337 188 Y C -0.749 175.113 175.900 -0.062 0.000 1.008 188 Y CA -1.003 57.093 58.100 -0.007 0.000 1.129 188 Y CB 1.234 39.808 38.460 0.190 0.000 1.185 188 Y HN 0.464 nan 8.280 nan 0.000 0.476 189 M N 10.253 129.410 119.600 -0.738 0.000 2.022 189 M HA 0.346 4.832 4.480 0.010 0.000 0.298 189 M C -2.676 173.076 176.300 -0.914 0.000 0.909 189 M CA -1.827 53.010 55.300 -0.772 0.000 0.914 189 M CB 1.810 34.054 32.600 -0.593 0.000 1.486 189 M HN 0.422 nan 8.290 nan 0.000 0.415 190 P HA 0.481 nan 4.420 nan 0.000 0.281 190 P C -1.273 175.666 177.300 -0.601 0.000 1.249 190 P CA -0.182 62.612 63.100 -0.510 0.000 0.810 190 P CB 0.851 32.403 31.700 -0.246 0.000 1.008 191 F N 0.301 120.256 119.950 0.009 0.000 2.578 191 F HA 0.212 4.746 4.527 0.012 0.000 0.311 191 F C 1.332 177.160 175.800 0.046 0.000 1.094 191 F CA -0.456 57.569 58.000 0.042 0.000 0.923 191 F CB 1.777 40.826 39.000 0.081 0.000 1.230 191 F HN 0.271 nan 8.300 nan 0.000 0.450 192 D N 0.189 120.716 120.400 0.212 0.000 2.349 192 D HA 0.006 4.652 4.640 0.010 0.000 0.215 192 D C -0.448 175.926 176.300 0.123 0.000 1.016 192 D CA 0.501 54.578 54.000 0.129 0.000 0.870 192 D CB -0.252 40.597 40.800 0.082 0.000 0.917 192 D HN 0.688 nan 8.370 nan 0.000 0.524 193 N N -1.710 117.089 118.700 0.165 0.000 2.598 193 N HA 0.052 4.799 4.740 0.010 0.000 0.263 193 N C 0.107 175.672 175.510 0.091 0.000 1.254 193 N CA -0.834 52.279 53.050 0.104 0.000 0.863 193 N CB 1.553 40.084 38.487 0.073 0.000 1.586 193 N HN -0.223 nan 8.380 nan 0.000 0.491 194 E N 0.592 120.820 120.200 0.047 0.000 2.110 194 E HA -0.169 4.187 4.350 0.010 0.000 0.193 194 E C 0.792 177.410 176.600 0.029 0.000 0.988 194 E CA 1.228 57.641 56.400 0.022 0.000 0.804 194 E CB 0.086 29.794 29.700 0.014 0.000 0.745 194 E HN 0.597 nan 8.360 nan 0.000 0.458 195 K N 0.352 120.788 120.400 0.060 0.000 2.063 195 K HA -0.210 4.116 4.320 0.010 0.000 0.208 195 K C 2.163 178.879 176.600 0.192 0.000 1.048 195 K CA 1.627 58.036 56.287 0.203 0.000 0.928 195 K CB -0.077 32.508 32.500 0.141 0.000 0.713 195 K HN -0.001 nan 8.250 nan 0.000 0.442 196 E N 1.089 121.350 120.200 0.103 0.000 2.051 196 E HA -0.152 4.204 4.350 0.010 0.000 0.192 196 E C 1.815 178.304 176.600 -0.186 0.000 0.991 196 E CA 0.796 57.248 56.400 0.088 0.000 0.799 196 E CB -0.123 29.722 29.700 0.240 0.000 0.748 196 E HN 0.200 nan 8.360 nan 0.000 0.449 197 L N -0.054 120.872 121.223 -0.494 0.000 1.989 197 L HA -0.225 4.121 4.340 0.010 0.000 0.211 197 L C 2.145 178.715 176.870 -0.500 0.000 1.071 197 L CA 1.438 55.620 54.840 -1.097 0.000 0.749 197 L CB -0.181 41.508 42.059 -0.617 0.000 0.890 197 L HN 0.228 nan 8.230 nan 0.000 0.431 198 L N -1.127 119.976 121.223 -0.200 0.000 2.093 198 L HA -0.227 4.119 4.340 0.010 0.000 0.208 198 L C 2.630 179.426 176.870 -0.124 0.000 1.085 198 L CA 1.235 56.025 54.840 -0.082 0.000 0.755 198 L CB -0.351 41.769 42.059 0.102 0.000 0.904 198 L HN 0.371 nan 8.230 nan 0.000 0.435 199 M N -0.917 118.596 119.600 -0.144 0.000 2.117 199 M HA -0.173 4.313 4.480 0.010 0.000 0.262 199 M C 2.235 178.492 176.300 -0.070 0.000 1.065 199 M CA 1.503 56.688 55.300 -0.191 0.000 1.114 199 M CB -0.276 32.239 32.600 -0.142 0.000 1.361 199 M HN 0.173 nan 8.290 nan 0.000 0.408 200 E N -0.414 119.789 120.200 0.005 0.000 2.072 200 E HA -0.196 4.160 4.350 0.010 0.000 0.191 200 E C 1.790 178.506 176.600 0.194 0.000 0.985 200 E CA 1.285 57.788 56.400 0.171 0.000 0.801 200 E CB -0.449 29.487 29.700 0.393 0.000 0.750 200 E HN 0.526 nan 8.360 nan 0.000 0.452 201 Y N 1.534 121.739 120.300 -0.158 0.000 2.181 201 Y HA -0.173 4.383 4.550 0.010 0.000 0.288 201 Y C 2.218 178.092 175.900 -0.042 0.000 1.146 201 Y CA 1.271 59.149 58.100 -0.370 0.000 1.164 201 Y CB -0.353 37.692 38.460 -0.691 0.000 0.982 201 Y HN -0.060 nan 8.280 nan 0.000 0.515 202 L N -0.166 120.988 121.223 -0.115 0.000 2.046 202 L HA -0.262 4.084 4.340 0.010 0.000 0.208 202 L C 1.979 178.806 176.870 -0.072 0.000 1.077 202 L CA 1.910 56.651 54.840 -0.166 0.000 0.747 202 L CB -0.631 41.303 42.059 -0.209 0.000 0.896 202 L HN 0.316 nan 8.230 nan 0.000 0.432 203 N N -0.521 118.164 118.700 -0.025 0.000 2.188 203 N HA -0.226 4.521 4.740 0.010 0.000 0.184 203 N C 1.758 177.280 175.510 0.021 0.000 1.018 203 N CA 1.086 54.139 53.050 0.005 0.000 0.858 203 N CB -0.157 38.352 38.487 0.038 0.000 0.989 203 N HN 0.199 nan 8.380 nan 0.000 0.426 204 F N 1.210 121.103 119.950 -0.095 0.000 2.075 204 F HA -0.200 4.332 4.527 0.009 0.000 0.297 204 F C 2.219 177.865 175.800 -0.257 0.000 1.113 204 F CA 1.282 59.186 58.000 -0.160 0.000 1.218 204 F CB -0.395 38.559 39.000 -0.076 0.000 0.984 204 F HN 0.183 nan 8.300 nan 0.000 0.472 205 W N 1.642 122.588 121.300 -0.590 0.000 2.321 205 W HA -0.241 4.427 4.660 0.013 0.000 0.306 205 W C 2.227 178.465 176.519 -0.468 0.000 1.217 205 W CA 2.093 59.042 57.345 -0.660 0.000 1.257 205 W CB -0.675 28.449 29.460 -0.560 0.000 1.145 205 W HN 0.206 nan 8.180 nan 0.000 0.509 206 Q N -0.146 119.618 119.800 -0.061 0.000 2.096 206 Q HA -0.230 4.116 4.340 0.010 0.000 0.204 206 Q C 2.161 178.047 176.000 -0.190 0.000 0.982 206 Q CA 1.499 57.251 55.803 -0.084 0.000 0.850 206 Q CB -0.467 28.241 28.738 -0.049 0.000 0.901 206 Q HN 0.419 nan 8.270 nan 0.000 0.422 207 Q N 0.303 119.950 119.800 -0.255 0.000 2.083 207 Q HA -0.045 4.301 4.340 0.010 0.000 0.198 207 Q C 0.318 176.099 176.000 -0.365 0.000 0.969 207 Q CA 1.103 56.747 55.803 -0.265 0.000 0.838 207 Q CB 0.188 28.787 28.738 -0.232 0.000 0.900 207 Q HN 0.203 nan 8.270 nan 0.000 0.436 208 K N 1.119 121.159 120.400 -0.601 0.000 2.800 208 K HA 0.251 4.577 4.320 0.010 0.000 0.185 208 K C -0.944 175.236 176.600 -0.700 0.000 1.082 208 K CA -0.101 55.808 56.287 -0.631 0.000 0.978 208 K CB 1.115 33.120 32.500 -0.825 0.000 1.364 208 K HN -0.131 nan 8.250 nan 0.000 0.592 209 T N 3.447 117.669 114.554 -0.554 0.000 2.769 209 T HA 0.112 4.468 4.350 0.010 0.000 0.293 209 T C -2.294 172.086 174.700 -0.532 0.000 0.931 209 T CA -1.223 60.489 62.100 -0.647 0.000 1.139 209 T CB 0.233 68.879 68.868 -0.371 0.000 0.881 209 T HN 0.116 nan 8.240 nan 0.000 0.532 210 P HA 0.109 nan 4.420 nan 0.000 0.266 210 P C 0.529 177.708 177.300 -0.201 0.000 1.195 210 P CA -0.193 62.673 63.100 -0.390 0.000 0.768 210 P CB 0.659 32.083 31.700 -0.461 0.000 0.838 211 V N 3.241 123.102 119.914 -0.088 0.000 2.403 211 V HA 0.033 4.159 4.120 0.010 0.000 0.239 211 V C 1.046 177.159 176.094 0.031 0.000 1.041 211 V CA 1.165 63.461 62.300 -0.006 0.000 1.051 211 V CB -0.196 31.649 31.823 0.037 0.000 0.704 211 V HN 0.412 nan 8.190 nan 0.000 0.472 212 I N 2.193 122.792 120.570 0.049 0.000 2.315 212 I HA 0.365 4.541 4.170 0.010 0.000 0.291 212 I C -0.613 175.562 176.117 0.096 0.000 1.006 212 I CA -0.308 61.042 61.300 0.083 0.000 1.265 212 I CB 1.071 39.134 38.000 0.105 0.000 1.387 212 I HN 0.101 nan 8.210 nan 0.000 0.475 213 L N 6.985 128.288 121.223 0.133 0.000 2.305 213 L HA 0.643 4.989 4.340 0.010 0.000 0.284 213 L C -0.033 177.002 176.870 0.275 0.000 1.013 213 L CA 0.489 55.444 54.840 0.192 0.000 0.819 213 L CB 1.637 43.830 42.059 0.223 0.000 1.227 213 L HN 0.739 nan 8.230 nan 0.000 0.417 214 T N 2.549 117.301 114.554 0.329 0.000 2.654 214 T HA 0.965 5.321 4.350 0.010 0.000 0.289 214 T C -0.500 174.426 174.700 0.377 0.000 1.062 214 T CA -0.064 62.251 62.100 0.358 0.000 1.041 214 T CB 1.350 70.454 68.868 0.395 0.000 1.417 214 T HN 1.143 nan 8.240 nan 0.000 0.510 215 G N -0.258 108.759 108.800 0.363 0.000 2.340 215 G HA2 0.180 4.146 3.960 0.010 0.000 0.282 215 G HA3 0.180 4.146 3.960 0.010 0.000 0.282 215 G C -2.096 173.029 174.900 0.374 0.000 1.312 215 G CA -0.488 44.793 45.100 0.302 0.000 0.942 215 G HN 0.714 nan 8.290 nan 0.000 0.495 216 W N 1.892 123.247 121.300 0.091 0.000 2.318 216 W HA 0.475 5.141 4.660 0.010 0.000 0.315 216 W C 0.408 176.974 176.519 0.078 0.000 1.033 216 W CA -0.147 57.259 57.345 0.101 0.000 1.275 216 W CB 0.811 30.309 29.460 0.063 0.000 1.250 216 W HN 0.727 nan 8.180 nan 0.000 0.421 217 N N 2.823 121.430 118.700 -0.155 0.000 2.741 217 N HA -0.229 4.517 4.740 0.010 0.000 0.250 217 N C 0.963 176.527 175.510 0.090 0.000 1.115 217 N CA 1.486 54.509 53.050 -0.045 0.000 0.724 217 N CB -1.570 36.945 38.487 0.047 0.000 1.090 217 N HN 0.428 nan 8.380 nan 0.000 0.558 218 V N -2.312 117.646 119.914 0.074 0.000 2.515 218 V HA -0.118 4.008 4.120 0.010 0.000 0.250 218 V C 2.033 178.215 176.094 0.147 0.000 1.058 218 V CA 2.247 64.608 62.300 0.101 0.000 1.064 218 V CB -0.297 31.611 31.823 0.143 0.000 0.675 218 V HN 0.344 nan 8.190 nan 0.000 0.461 219 E N 1.474 121.730 120.200 0.093 0.000 2.107 219 E HA -0.157 4.199 4.350 0.010 0.000 0.191 219 E C 2.249 178.885 176.600 0.059 0.000 0.982 219 E CA 1.471 57.908 56.400 0.061 0.000 0.809 219 E CB -0.044 29.648 29.700 -0.013 0.000 0.756 219 E HN 0.871 nan 8.360 nan 0.000 0.459 220 S N -1.257 114.487 115.700 0.073 0.000 2.486 220 S HA 0.025 4.501 4.470 0.010 0.000 0.220 220 S C 1.400 176.155 174.600 0.259 0.000 1.011 220 S CA -0.052 58.217 58.200 0.114 0.000 0.921 220 S CB 0.095 63.335 63.200 0.066 0.000 0.785 220 S HN 0.364 nan 8.310 nan 0.000 0.517 221 F N 1.127 121.145 119.950 0.115 0.000 2.362 221 F HA 0.599 5.130 4.527 0.007 0.000 0.264 221 F C 2.334 178.236 175.800 0.170 0.000 0.905 221 F CA 0.381 58.483 58.000 0.170 0.000 1.142 221 F CB -0.477 38.632 39.000 0.181 0.000 1.250 221 F HN 0.141 nan 8.300 nan 0.000 0.771 222 A N 1.365 124.235 122.820 0.083 0.000 1.865 222 A HA -0.160 4.166 4.320 0.010 0.000 0.217 222 A C 2.085 179.761 177.584 0.152 0.000 1.191 222 A CA 2.373 54.387 52.037 -0.039 0.000 0.623 222 A CB -1.370 17.484 19.000 -0.243 0.000 0.826 222 A HN 0.520 nan 8.150 nan 0.000 0.444 223 I N 0.284 121.014 120.570 0.266 0.000 2.142 223 I HA -0.148 4.028 4.170 0.010 0.000 0.240 223 I C -0.450 175.761 176.117 0.157 0.000 1.078 223 I CA 1.528 63.005 61.300 0.294 0.000 1.343 223 I CB -1.014 37.149 38.000 0.272 0.000 1.046 223 I HN 0.265 nan 8.210 nan 0.000 0.405 224 P HA -0.204 nan 4.420 nan 0.000 0.219 224 P C 1.549 178.870 177.300 0.035 0.000 1.150 224 P CA 1.591 64.729 63.100 0.064 0.000 0.814 224 P CB -0.138 31.589 31.700 0.045 0.000 0.787 225 Y N 0.910 121.109 120.300 -0.168 0.000 2.163 225 Y HA -0.177 4.381 4.550 0.013 0.000 0.288 225 Y C 2.418 178.254 175.900 -0.108 0.000 1.136 225 Y CA 1.343 59.295 58.100 -0.246 0.000 1.147 225 Y CB -0.923 37.157 38.460 -0.634 0.000 0.987 225 Y HN -0.311 nan 8.280 nan 0.000 0.509 226 V N -0.603 119.395 119.914 0.140 0.000 2.295 226 V HA -0.336 3.790 4.120 0.010 0.000 0.246 226 V C 2.003 178.113 176.094 0.027 0.000 1.049 226 V CA 2.254 64.617 62.300 0.105 0.000 1.024 226 V CB -1.068 30.840 31.823 0.141 0.000 0.648 226 V HN 0.558 nan 8.190 nan 0.000 0.447 227 Y N 1.636 121.897 120.300 -0.066 0.000 2.097 227 Y HA -0.251 4.303 4.550 0.006 0.000 0.282 227 Y C 2.604 178.444 175.900 -0.099 0.000 1.152 227 Y CA 2.208 60.255 58.100 -0.089 0.000 1.136 227 Y CB -0.311 38.108 38.460 -0.068 0.000 0.975 227 Y HN 0.269 nan 8.280 nan 0.000 0.498 228 N N 0.149 118.845 118.700 -0.007 0.000 2.188 228 N HA -0.164 4.583 4.740 0.010 0.000 0.184 228 N C 1.940 177.303 175.510 -0.244 0.000 1.018 228 N CA 1.251 54.218 53.050 -0.138 0.000 0.858 228 N CB -0.374 38.035 38.487 -0.129 0.000 0.989 228 N HN 0.269 nan 8.380 nan 0.000 0.426 229 R N 1.439 121.774 120.500 -0.274 0.000 2.066 229 R HA 0.108 4.454 4.340 0.010 0.000 0.232 229 R C 2.170 178.393 176.300 -0.128 0.000 1.131 229 R CA 0.940 56.910 56.100 -0.217 0.000 0.955 229 R CB -0.672 29.555 30.300 -0.121 0.000 0.851 229 R HN 0.180 nan 8.270 nan 0.000 0.432 230 I N 0.598 121.113 120.570 -0.092 0.000 2.226 230 I HA -0.287 3.889 4.170 0.010 0.000 0.245 230 I C 2.476 178.564 176.117 -0.049 0.000 1.100 230 I CA 1.448 62.759 61.300 0.018 0.000 1.374 230 I CB -0.358 37.616 38.000 -0.045 0.000 1.057 230 I HN 0.244 nan 8.210 nan 0.000 0.413 231 K N 0.945 121.202 120.400 -0.239 0.000 2.044 231 K HA -0.233 4.093 4.320 0.010 0.000 0.210 231 K C 1.927 178.436 176.600 -0.153 0.000 1.049 231 K CA 1.843 57.984 56.287 -0.244 0.000 0.927 231 K CB -0.067 32.225 32.500 -0.346 0.000 0.713 231 K HN 0.274 nan 8.250 nan 0.000 0.443 232 N N 0.667 119.269 118.700 -0.163 0.000 2.188 232 N HA -0.113 4.633 4.740 0.010 0.000 0.184 232 N C 1.813 177.212 175.510 -0.186 0.000 1.018 232 N CA 1.154 54.110 53.050 -0.156 0.000 0.858 232 N CB -0.077 38.312 38.487 -0.163 0.000 0.989 232 N HN 0.289 nan 8.380 nan 0.000 0.426 233 I N -1.339 119.082 120.570 -0.248 0.000 2.494 233 I HA -0.065 4.111 4.170 0.010 0.000 0.250 233 I C 0.941 176.715 176.117 -0.571 0.000 1.112 233 I CA 0.888 61.905 61.300 -0.472 0.000 1.438 233 I CB 0.014 37.596 38.000 -0.697 0.000 1.111 233 I HN -0.045 nan 8.210 nan 0.000 0.431 234 F N 0.242 120.127 119.950 -0.108 0.000 2.727 234 F HA 0.445 4.978 4.527 0.011 0.000 0.302 234 F C 1.120 176.860 175.800 -0.100 0.000 1.107 234 F CA 0.321 58.263 58.000 -0.097 0.000 1.277 234 F CB 0.573 39.511 39.000 -0.104 0.000 1.079 234 F HN 0.066 nan 8.300 nan 0.000 0.594 235 G N 1.300 110.118 108.800 0.030 0.000 2.555 235 G HA2 -0.161 3.805 3.960 0.010 0.000 0.686 235 G HA3 -0.161 3.805 3.960 0.010 0.000 0.686 235 G C 0.414 175.275 174.900 -0.065 0.000 1.275 235 G CA -0.211 44.875 45.100 -0.022 0.000 0.871 235 G HN 0.340 nan 8.290 nan 0.000 0.603 236 E N -0.347 119.806 120.200 -0.078 0.000 2.106 236 E HA -0.096 4.261 4.350 0.010 0.000 0.192 236 E C 2.528 179.072 176.600 -0.092 0.000 0.984 236 E CA 2.051 58.385 56.400 -0.111 0.000 0.806 236 E CB -0.245 29.428 29.700 -0.046 0.000 0.750 236 E HN 1.088 nan 8.360 nan 0.000 0.458 237 S N 0.851 116.517 115.700 -0.056 0.000 2.382 237 S HA -0.175 4.301 4.470 0.010 0.000 0.228 237 S C 2.079 176.633 174.600 -0.077 0.000 1.027 237 S CA 1.627 59.797 58.200 -0.050 0.000 0.991 237 S CB -0.886 62.293 63.200 -0.036 0.000 0.823 237 S HN 0.320 nan 8.310 nan 0.000 0.469 238 T N 2.512 117.010 114.554 -0.092 0.000 2.777 238 T HA 0.170 4.526 4.350 0.010 0.000 0.266 238 T C 2.236 176.824 174.700 -0.186 0.000 1.040 238 T CA 1.244 63.258 62.100 -0.143 0.000 1.141 238 T CB -0.819 67.960 68.868 -0.148 0.000 0.868 238 T HN 0.637 nan 8.240 nan 0.000 0.444 239 A N 1.838 124.521 122.820 -0.229 0.000 1.972 239 A HA -0.102 4.224 4.320 0.010 0.000 0.219 239 A C 2.159 179.638 177.584 -0.173 0.000 1.169 239 A CA 1.340 53.149 52.037 -0.381 0.000 0.635 239 A CB -0.427 18.043 19.000 -0.884 0.000 0.810 239 A HN 0.447 nan 8.150 nan 0.000 0.446 240 K N -0.568 119.801 120.400 -0.052 0.000 2.504 240 K HA -0.010 4.316 4.320 0.010 0.000 0.195 240 K C 1.759 178.355 176.600 -0.008 0.000 1.036 240 K CA 0.499 56.829 56.287 0.071 0.000 0.984 240 K CB -0.074 32.458 32.500 0.055 0.000 0.788 240 K HN 0.408 nan 8.250 nan 0.000 0.488 241 R N 0.541 120.991 120.500 -0.083 0.000 2.285 241 R HA -0.021 4.325 4.340 0.010 0.000 0.213 241 R C 1.755 177.968 176.300 -0.146 0.000 1.068 241 R CA 0.560 56.599 56.100 -0.102 0.000 1.004 241 R CB -0.190 30.027 30.300 -0.138 0.000 0.873 241 R HN 0.174 nan 8.270 nan 0.000 0.467 242 L N 0.174 121.253 121.223 -0.240 0.000 2.362 242 L HA -0.048 4.298 4.340 0.010 0.000 0.219 242 L C 1.147 178.060 176.870 0.072 0.000 1.134 242 L CA 0.443 55.024 54.840 -0.432 0.000 0.807 242 L CB -0.085 41.693 42.059 -0.468 0.000 0.927 242 L HN 0.009 nan 8.230 nan 0.000 0.447 243 S N 0.004 115.747 115.700 0.072 0.000 2.480 243 S HA 0.289 4.765 4.470 0.010 0.000 0.286 243 S C -1.535 173.065 174.600 -0.000 0.000 1.180 243 S CA -1.626 56.626 58.200 0.086 0.000 1.075 243 S CB 1.222 64.478 63.200 0.094 0.000 0.996 243 S HN -0.086 nan 8.310 nan 0.000 0.487 244 P HA -0.020 nan 4.420 nan 0.000 0.230 244 P C 0.234 177.366 177.300 -0.281 0.000 1.158 244 P CA 0.895 63.863 63.100 -0.220 0.000 0.769 244 P CB -0.080 31.420 31.700 -0.333 0.000 0.807 245 H N -0.459 118.581 119.070 -0.049 0.000 2.594 245 H HA 0.274 4.836 4.556 0.010 0.000 0.279 245 H C 0.582 175.775 175.328 -0.225 0.000 1.042 245 H CA -0.228 55.678 56.048 -0.236 0.000 1.177 245 H CB 0.209 29.682 29.762 -0.481 0.000 1.524 245 H HN -0.055 nan 8.280 nan 0.000 0.537 246 R N 0.390 120.864 120.500 -0.043 0.000 3.758 246 R HA -0.196 4.150 4.340 0.010 0.000 0.299 246 R C 0.114 176.376 176.300 -0.063 0.000 1.182 246 R CA 0.516 56.591 56.100 -0.041 0.000 0.809 246 R CB -2.212 28.060 30.300 -0.046 0.000 1.249 246 R HN 0.429 nan 8.270 nan 0.000 0.497 247 K N 1.029 121.388 120.400 -0.069 0.000 2.376 247 K HA 0.400 4.726 4.320 0.010 0.000 0.257 247 K C -0.289 176.340 176.600 0.047 0.000 0.939 247 K CA -0.125 56.069 56.287 -0.155 0.000 0.809 247 K CB 1.495 33.690 32.500 -0.508 0.000 1.121 247 K HN 0.159 nan 8.250 nan 0.000 0.425 248 T N 0.634 115.226 114.554 0.063 0.000 2.901 248 T HA 0.650 5.006 4.350 0.010 0.000 0.293 248 T C -1.106 173.662 174.700 0.113 0.000 1.084 248 T CA -1.016 61.169 62.100 0.142 0.000 1.008 248 T CB 1.859 70.712 68.868 -0.025 0.000 1.170 248 T HN 0.566 nan 8.240 nan 0.000 0.509 249 R N 0.803 121.365 120.500 0.103 0.000 2.548 249 R HA 0.587 4.933 4.340 0.010 0.000 0.280 249 R C -1.657 174.622 176.300 -0.035 0.000 1.061 249 R CA -0.630 55.516 56.100 0.077 0.000 0.915 249 R CB 1.759 32.193 30.300 0.222 0.000 1.210 249 R HN 0.686 nan 8.270 nan 0.000 0.442 250 V N 4.991 124.877 119.914 -0.046 0.000 2.479 250 V HA 0.210 4.337 4.120 0.010 0.000 0.281 250 V C 0.336 176.408 176.094 -0.037 0.000 1.031 250 V CA 0.154 62.418 62.300 -0.059 0.000 1.038 250 V CB 0.835 32.639 31.823 -0.032 0.000 0.981 250 V HN 0.592 nan 8.190 nan 0.000 0.478 251 K N 4.465 124.834 120.400 -0.052 0.000 2.235 251 K HA 0.544 4.870 4.320 0.010 0.000 0.266 251 K C -1.094 175.474 176.600 -0.052 0.000 0.980 251 K CA -0.631 55.625 56.287 -0.051 0.000 0.849 251 K CB 1.747 34.205 32.500 -0.070 0.000 1.098 251 K HN 0.483 nan 8.250 nan 0.000 0.445 252 V N 6.156 126.041 119.914 -0.047 0.000 2.385 252 V HA 0.201 4.327 4.120 0.010 0.000 0.269 252 V C 0.206 176.262 176.094 -0.063 0.000 1.043 252 V CA -0.693 61.579 62.300 -0.046 0.000 0.906 252 V CB 0.739 32.541 31.823 -0.036 0.000 0.995 252 V HN 0.636 nan 8.190 nan 0.000 0.467 253 I N 4.813 125.343 120.570 -0.067 0.000 2.291 253 I HA 0.337 4.513 4.170 0.010 0.000 0.292 253 I C 0.661 176.732 176.117 -0.078 0.000 1.064 253 I CA -0.124 61.125 61.300 -0.086 0.000 1.269 253 I CB 0.604 38.545 38.000 -0.097 0.000 1.418 253 I HN 0.669 nan 8.210 nan 0.000 0.485 254 E N 5.586 125.734 120.200 -0.086 0.000 2.259 254 E HA 0.233 4.589 4.350 0.010 0.000 0.281 254 E C -0.247 176.297 176.600 -0.093 0.000 1.027 254 E CA -0.323 56.029 56.400 -0.079 0.000 0.838 254 E CB 1.264 30.918 29.700 -0.077 0.000 1.066 254 E HN 0.669 nan 8.360 nan 0.000 0.401 255 N N 1.704 120.350 118.700 -0.089 0.000 2.890 255 N HA 0.200 4.946 4.740 0.010 0.000 0.317 255 N C 0.401 175.811 175.510 -0.166 0.000 1.355 255 N CA -0.742 52.239 53.050 -0.115 0.000 0.803 255 N CB 0.631 39.064 38.487 -0.091 0.000 1.465 255 N HN 0.369 nan 8.380 nan 0.000 0.591 256 M N -1.231 118.195 119.600 -0.290 0.000 2.149 256 M HA -0.043 4.443 4.480 0.010 0.000 0.261 256 M C 0.086 176.036 176.300 -0.582 0.000 1.064 256 M CA 1.758 56.727 55.300 -0.551 0.000 1.102 256 M CB -0.121 31.930 32.600 -0.916 0.000 1.369 256 M HN 0.679 nan 8.290 nan 0.000 0.408 257 Y N -1.064 119.226 120.300 -0.017 0.000 2.557 257 Y HA 0.508 5.063 4.550 0.008 0.000 0.247 257 Y C 0.730 176.619 175.900 -0.018 0.000 1.164 257 Y CA -0.338 57.753 58.100 -0.015 0.000 1.218 257 Y CB 0.550 39.004 38.460 -0.009 0.000 1.210 257 Y HN 0.267 nan 8.280 nan 0.000 0.529 258 G N -0.100 108.735 108.800 0.060 0.000 2.323 258 G HA2 0.408 4.374 3.960 0.010 0.000 0.291 258 G HA3 0.408 4.374 3.960 0.010 0.000 0.291 258 G C -1.451 173.448 174.900 -0.002 0.000 1.278 258 G CA -0.345 44.776 45.100 0.035 0.000 0.860 258 G HN 0.168 nan 8.290 nan 0.000 0.504 259 S N -1.288 114.411 115.700 -0.002 0.000 2.596 259 S HA 0.890 5.366 4.470 0.010 0.000 0.270 259 S C -0.663 173.931 174.600 -0.011 0.000 1.155 259 S CA -0.473 57.716 58.200 -0.018 0.000 0.827 259 S CB 2.436 65.622 63.200 -0.023 0.000 1.130 259 S HN 1.525 nan 8.310 nan 0.000 0.467 260 R N 0.228 120.715 120.500 -0.020 0.000 2.836 260 R HA 0.726 5.072 4.340 0.010 0.000 0.269 260 R C -1.485 174.805 176.300 -0.016 0.000 1.010 260 R CA -0.973 55.122 56.100 -0.009 0.000 0.930 260 R CB 1.389 31.683 30.300 -0.010 0.000 1.218 260 R HN 0.697 nan 8.270 nan 0.000 0.473 261 E N 1.527 121.727 120.200 -0.001 0.000 2.183 261 E HA 0.444 4.800 4.350 0.010 0.000 0.271 261 E C -0.493 176.099 176.600 -0.013 0.000 0.919 261 E CA -0.874 55.520 56.400 -0.011 0.000 0.781 261 E CB 2.276 31.975 29.700 -0.001 0.000 1.140 261 E HN 0.525 nan 8.360 nan 0.000 0.402 262 I N -1.236 119.311 120.570 -0.038 0.000 3.108 262 I HA 0.556 4.732 4.170 0.010 0.000 0.312 262 I C -0.861 175.206 176.117 -0.083 0.000 1.095 262 I CA -1.206 60.067 61.300 -0.045 0.000 1.000 262 I CB 1.567 39.535 38.000 -0.053 0.000 1.229 262 I HN 0.289 nan 8.210 nan 0.000 0.454 263 I N 2.248 122.754 120.570 -0.107 0.000 2.330 263 I HA 0.272 4.448 4.170 0.010 0.000 0.289 263 I C -0.084 175.947 176.117 -0.144 0.000 1.001 263 I CA -0.178 61.000 61.300 -0.204 0.000 1.193 263 I CB 1.115 38.887 38.000 -0.380 0.000 1.345 263 I HN 0.653 nan 8.210 nan 0.000 0.461 264 T N 7.791 122.267 114.554 -0.130 0.000 2.729 264 T HA 0.431 4.787 4.350 0.010 0.000 0.296 264 T C 0.398 175.058 174.700 -0.067 0.000 0.928 264 T CA -0.278 61.745 62.100 -0.128 0.000 1.045 264 T CB 0.327 69.079 68.868 -0.194 0.000 0.902 264 T HN 0.259 nan 8.240 nan 0.000 0.500 265 L N 4.648 125.847 121.223 -0.040 0.000 2.272 265 L HA 0.420 4.766 4.340 0.010 0.000 0.284 265 L C -0.135 176.782 176.870 0.079 0.000 1.045 265 L CA -0.835 54.045 54.840 0.067 0.000 0.842 265 L CB -0.018 42.102 42.059 0.103 0.000 1.224 265 L HN 0.539 nan 8.230 nan 0.000 0.430 266 F N 2.189 122.154 119.950 0.026 0.000 2.608 266 F HA 0.239 4.771 4.527 0.008 0.000 0.380 266 F C 1.553 177.412 175.800 0.099 0.000 1.083 266 F CA 1.276 59.322 58.000 0.076 0.000 1.266 266 F CB 0.557 39.600 39.000 0.072 0.000 1.076 266 F HN 0.734 nan 8.300 nan 0.000 0.574 267 G N 3.147 112.117 108.800 0.283 0.000 2.157 267 G HA2 -0.271 3.695 3.960 0.010 0.000 0.248 267 G HA3 -0.271 3.695 3.960 0.010 0.000 0.248 267 G C -0.226 174.720 174.900 0.076 0.000 0.979 267 G CA -0.109 45.106 45.100 0.192 0.000 0.650 267 G HN 0.567 nan 8.290 nan 0.000 0.529 268 I N 0.653 121.271 120.570 0.080 0.000 2.608 268 I HA 0.481 4.657 4.170 0.010 0.000 0.295 268 I C -0.218 175.938 176.117 0.065 0.000 1.049 268 I CA -0.873 60.472 61.300 0.076 0.000 1.063 268 I CB 2.386 40.461 38.000 0.124 0.000 1.248 268 I HN -0.006 nan 8.210 nan 0.000 0.424 269 S N 4.411 120.153 115.700 0.070 0.000 2.474 269 S HA 0.341 4.817 4.470 0.010 0.000 0.320 269 S C -0.246 174.414 174.600 0.099 0.000 1.067 269 S CA -0.523 57.718 58.200 0.068 0.000 1.127 269 S CB 0.845 64.077 63.200 0.054 0.000 0.971 269 S HN 0.274 nan 8.310 nan 0.000 0.472 270 V N 5.892 125.872 119.914 0.110 0.000 2.427 270 V HA 0.257 4.383 4.120 0.010 0.000 0.268 270 V C -0.060 176.144 176.094 0.183 0.000 1.046 270 V CA -0.125 62.266 62.300 0.152 0.000 0.970 270 V CB 0.324 32.228 31.823 0.136 0.000 1.001 270 V HN 0.710 nan 8.190 nan 0.000 0.476 271 L N 4.469 125.819 121.223 0.212 0.000 2.387 271 L HA 0.404 4.750 4.340 0.010 0.000 0.259 271 L C 0.121 177.142 176.870 0.251 0.000 1.050 271 L CA -0.472 54.528 54.840 0.266 0.000 0.922 271 L CB 1.049 43.217 42.059 0.182 0.000 1.280 271 L HN 0.525 nan 8.230 nan 0.000 0.449 272 D N 0.796 121.310 120.400 0.190 0.000 2.434 272 D HA -0.125 4.521 4.640 0.010 0.000 0.252 272 D C 0.734 177.094 176.300 0.099 0.000 1.185 272 D CA 0.439 54.506 54.000 0.111 0.000 0.886 272 D CB 0.833 41.612 40.800 -0.034 0.000 1.148 272 D HN 0.328 nan 8.370 nan 0.000 0.483 273 Y N 3.787 124.141 120.300 0.089 0.000 2.274 273 Y HA -0.142 4.414 4.550 0.010 0.000 0.290 273 Y C 2.208 178.036 175.900 -0.119 0.000 1.145 273 Y CA 0.943 59.143 58.100 0.167 0.000 1.203 273 Y CB -0.026 38.670 38.460 0.394 0.000 0.984 273 Y HN 0.581 nan 8.280 nan 0.000 0.533 274 I N -0.354 119.862 120.570 -0.589 0.000 2.264 274 I HA -0.358 3.819 4.170 0.010 0.000 0.248 274 I C 1.613 177.472 176.117 -0.429 0.000 1.111 274 I CA 1.888 62.587 61.300 -1.001 0.000 1.382 274 I CB -0.150 37.096 38.000 -1.257 0.000 1.060 274 I HN 0.224 nan 8.210 nan 0.000 0.418 275 D N 0.369 120.572 120.400 -0.328 0.000 2.162 275 D HA -0.105 4.541 4.640 0.010 0.000 0.203 275 D C 2.330 178.559 176.300 -0.119 0.000 0.967 275 D CA 1.014 54.830 54.000 -0.305 0.000 0.840 275 D CB -0.167 40.333 40.800 -0.499 0.000 0.972 275 D HN 0.368 nan 8.370 nan 0.000 0.482 276 L N -0.035 121.173 121.223 -0.024 0.000 2.042 276 L HA -0.221 4.125 4.340 0.010 0.000 0.210 276 L C 2.533 179.170 176.870 -0.389 0.000 1.076 276 L CA 1.167 55.896 54.840 -0.185 0.000 0.749 276 L CB -0.481 41.387 42.059 -0.319 0.000 0.893 276 L HN 0.055 nan 8.230 nan 0.000 0.432 277 Y N 0.902 121.074 120.300 -0.212 0.000 2.145 277 Y HA -0.264 4.292 4.550 0.010 0.000 0.286 277 Y C 2.650 178.481 175.900 -0.114 0.000 1.145 277 Y CA 1.659 59.794 58.100 0.058 0.000 1.148 277 Y CB -0.028 38.726 38.460 0.489 0.000 0.981 277 Y HN -0.028 nan 8.280 nan 0.000 0.507 278 K N -0.310 120.039 120.400 -0.085 0.000 2.103 278 K HA -0.207 4.119 4.320 0.010 0.000 0.207 278 K C 1.859 178.198 176.600 -0.435 0.000 1.048 278 K CA 1.879 58.009 56.287 -0.262 0.000 0.930 278 K CB -0.083 32.167 32.500 -0.417 0.000 0.716 278 K HN 0.109 nan 8.250 nan 0.000 0.444 279 K N -0.631 119.405 120.400 -0.607 0.000 2.262 279 K HA 0.062 4.388 4.320 0.010 0.000 0.200 279 K C 1.193 177.226 176.600 -0.946 0.000 1.049 279 K CA 0.988 56.770 56.287 -0.842 0.000 0.979 279 K CB 0.296 32.163 32.500 -1.055 0.000 0.773 279 K HN 0.110 nan 8.250 nan 0.000 0.474 280 F N -0.936 118.646 119.950 -0.612 0.000 2.728 280 F HA 0.115 4.649 4.527 0.011 0.000 0.314 280 F C 1.765 177.318 175.800 -0.412 0.000 1.094 280 F CA -0.256 57.367 58.000 -0.630 0.000 1.217 280 F CB 0.481 38.920 39.000 -0.934 0.000 1.056 280 F HN -0.062 nan 8.300 nan 0.000 0.577 281 S N -0.123 115.385 115.700 -0.320 0.000 2.470 281 S HA -0.092 4.384 4.470 0.010 0.000 0.225 281 S C 0.733 175.454 174.600 0.202 0.000 1.006 281 S CA 0.073 58.268 58.200 -0.007 0.000 0.934 281 S CB -0.873 61.940 63.200 -0.645 0.000 0.778 281 S HN 0.328 nan 8.310 nan 0.000 0.517 282 F N 2.394 122.295 119.950 -0.082 0.000 3.039 282 F HA -0.190 4.344 4.527 0.011 0.000 0.287 282 F C 0.637 176.431 175.800 -0.010 0.000 0.956 282 F CA 0.776 58.759 58.000 -0.027 0.000 0.971 282 F CB -2.396 36.612 39.000 0.014 0.000 0.943 282 F HN 0.534 nan 8.300 nan 0.000 0.766 283 T N -2.849 111.725 114.554 0.034 0.000 2.924 283 T HA 0.675 5.031 4.350 0.010 0.000 0.291 283 T C -0.649 174.068 174.700 0.028 0.000 1.045 283 T CA -0.989 61.133 62.100 0.036 0.000 1.015 283 T CB 2.490 71.359 68.868 0.001 0.000 1.103 283 T HN 0.121 nan 8.240 nan 0.000 0.496 284 N N 1.578 120.287 118.700 0.014 0.000 2.448 284 N HA 0.286 5.032 4.740 0.010 0.000 0.279 284 N C -1.057 174.414 175.510 -0.063 0.000 1.025 284 N CA -0.462 52.611 53.050 0.038 0.000 0.898 284 N CB 1.446 39.941 38.487 0.013 0.000 1.303 284 N HN 0.538 nan 8.380 nan 0.000 0.495 285 Q N 3.008 122.708 119.800 -0.166 0.000 2.235 285 Q HA 0.403 4.750 4.340 0.010 0.000 0.256 285 Q C -1.656 174.069 176.000 -0.459 0.000 0.951 285 Q CA -1.695 53.834 55.803 -0.456 0.000 0.890 285 Q CB 1.457 29.673 28.738 -0.869 0.000 1.279 285 Q HN 0.428 nan 8.270 nan 0.000 0.444 286 P HA -0.073 nan 4.420 nan 0.000 0.222 286 P C 0.107 177.002 177.300 -0.676 0.000 1.147 286 P CA 1.033 63.848 63.100 -0.476 0.000 0.790 286 P CB 0.490 31.956 31.700 -0.390 0.000 0.780 287 S N -2.323 112.812 115.700 -0.941 0.000 2.537 287 S HA 0.422 4.899 4.470 0.010 0.000 0.270 287 S C -1.221 172.979 174.600 -0.666 0.000 1.142 287 S CA -0.546 57.193 58.200 -0.769 0.000 0.870 287 S CB 0.402 63.051 63.200 -0.918 0.000 1.112 287 S HN -0.140 nan 8.310 nan 0.000 0.466 288 Y N 2.218 122.459 120.300 -0.099 0.000 2.720 288 Y HA 0.301 4.857 4.550 0.010 0.000 0.268 288 Y C 1.245 177.335 175.900 0.316 0.000 1.142 288 Y CA -0.279 57.905 58.100 0.141 0.000 1.193 288 Y CB 0.438 38.973 38.460 0.124 0.000 1.176 288 Y HN 0.692 nan 8.280 nan 0.000 0.542 289 S N -0.325 115.509 115.700 0.223 0.000 2.572 289 S HA -0.009 4.467 4.470 0.010 0.000 0.279 289 S C 1.219 175.813 174.600 -0.010 0.000 1.341 289 S CA -0.574 57.734 58.200 0.180 0.000 1.043 289 S CB 1.129 64.377 63.200 0.080 0.000 0.887 289 S HN 0.433 nan 8.310 nan 0.000 0.516 290 L N 1.788 122.825 121.223 -0.310 0.000 2.083 290 L HA -0.028 4.318 4.340 0.010 0.000 0.209 290 L C 1.979 178.596 176.870 -0.423 0.000 1.083 290 L CA 2.224 56.578 54.840 -0.811 0.000 0.752 290 L CB -1.232 40.311 42.059 -0.860 0.000 0.899 290 L HN 0.985 nan 8.230 nan 0.000 0.433 291 D N -1.898 118.378 120.400 -0.208 0.000 2.104 291 D HA -0.314 4.332 4.640 0.010 0.000 0.194 291 D C 2.102 178.343 176.300 -0.098 0.000 0.994 291 D CA 1.657 55.577 54.000 -0.133 0.000 0.830 291 D CB -0.267 40.502 40.800 -0.051 0.000 0.959 291 D HN 0.491 nan 8.370 nan 0.000 0.452 292 Y N 0.276 120.491 120.300 -0.143 0.000 2.145 292 Y HA -0.127 4.430 4.550 0.011 0.000 0.286 292 Y C 2.054 177.885 175.900 -0.116 0.000 1.145 292 Y CA 1.254 59.289 58.100 -0.109 0.000 1.148 292 Y CB -0.028 38.361 38.460 -0.117 0.000 0.981 292 Y HN 0.042 nan 8.280 nan 0.000 0.507 293 I N -0.208 120.331 120.570 -0.051 0.000 2.252 293 I HA -0.242 3.934 4.170 0.010 0.000 0.245 293 I C 2.576 178.598 176.117 -0.157 0.000 1.102 293 I CA 1.731 62.942 61.300 -0.149 0.000 1.385 293 I CB -1.796 35.972 38.000 -0.386 0.000 1.064 293 I HN 0.341 nan 8.210 nan 0.000 0.414 294 S N 0.645 116.191 115.700 -0.255 0.000 2.368 294 S HA -0.191 4.285 4.470 0.010 0.000 0.225 294 S C 1.820 176.330 174.600 -0.151 0.000 1.030 294 S CA 1.066 59.135 58.200 -0.218 0.000 0.999 294 S CB -0.609 62.434 63.200 -0.261 0.000 0.844 294 S HN 0.480 nan 8.310 nan 0.000 0.459 295 E N 0.379 120.481 120.200 -0.163 0.000 2.051 295 E HA -0.091 4.266 4.350 0.010 0.000 0.192 295 E C 1.766 178.290 176.600 -0.127 0.000 0.991 295 E CA 1.386 57.688 56.400 -0.164 0.000 0.799 295 E CB -0.293 29.271 29.700 -0.226 0.000 0.748 295 E HN 0.634 nan 8.360 nan 0.000 0.449 296 F N 1.814 121.612 119.950 -0.253 0.000 2.102 296 F HA -0.181 4.353 4.527 0.011 0.000 0.298 296 F C 2.199 177.962 175.800 -0.061 0.000 1.105 296 F CA 1.354 59.258 58.000 -0.160 0.000 1.239 296 F CB 0.226 39.155 39.000 -0.118 0.000 0.991 296 F HN -0.102 nan 8.300 nan 0.000 0.474 297 E N 0.070 120.320 120.200 0.083 0.000 2.122 297 E HA -0.003 4.354 4.350 0.010 0.000 0.190 297 E C 2.051 178.616 176.600 -0.058 0.000 0.977 297 E CA 1.143 57.572 56.400 0.048 0.000 0.820 297 E CB -0.032 29.760 29.700 0.154 0.000 0.770 297 E HN 0.469 nan 8.360 nan 0.000 0.462 298 L N -0.150 121.026 121.223 -0.078 0.000 2.781 298 L HA 0.212 4.558 4.340 0.010 0.000 0.245 298 L C 0.339 177.163 176.870 -0.076 0.000 1.118 298 L CA -0.266 54.532 54.840 -0.069 0.000 0.918 298 L CB 0.097 42.097 42.059 -0.098 0.000 1.246 298 L HN -0.028 nan 8.230 nan 0.000 0.526 299 N N 1.394 120.030 118.700 -0.107 0.000 2.738 299 N HA -0.156 4.590 4.740 0.010 0.000 0.249 299 N C -0.596 174.858 175.510 -0.094 0.000 1.047 299 N CA 0.797 53.784 53.050 -0.105 0.000 0.707 299 N CB -1.018 37.415 38.487 -0.090 0.000 0.937 299 N HN 0.259 nan 8.380 nan 0.000 0.545 300 V N -1.760 118.091 119.914 -0.104 0.000 2.547 300 V HA 0.932 5.058 4.120 0.010 0.000 0.299 300 V C 1.405 177.437 176.094 -0.103 0.000 1.040 300 V CA -0.423 61.817 62.300 -0.100 0.000 0.913 300 V CB 1.627 33.384 31.823 -0.110 0.000 0.992 300 V HN 0.298 nan 8.190 nan 0.000 0.449 301 G N 2.415 111.163 108.800 -0.087 0.000 2.432 301 G HA2 0.212 4.178 3.960 0.010 0.000 0.239 301 G HA3 0.212 4.178 3.960 0.010 0.000 0.239 301 G C 0.030 174.870 174.900 -0.100 0.000 1.291 301 G CA -0.375 44.676 45.100 -0.080 0.000 0.863 301 G HN 1.163 nan 8.290 nan 0.000 0.560 302 K N 1.453 121.798 120.400 -0.092 0.000 2.524 302 K HA -0.015 4.311 4.320 0.010 0.000 0.279 302 K C 0.753 177.281 176.600 -0.121 0.000 0.993 302 K CA -0.600 55.627 56.287 -0.100 0.000 1.030 302 K CB 0.207 32.667 32.500 -0.067 0.000 0.891 302 K HN 0.304 nan 8.250 nan 0.000 0.488 303 L N 2.772 123.881 121.223 -0.190 0.000 2.485 303 L HA 0.294 4.640 4.340 0.010 0.000 0.279 303 L C -0.168 176.680 176.870 -0.037 0.000 1.124 303 L CA 0.507 55.146 54.840 -0.335 0.000 0.888 303 L CB -0.438 41.188 42.059 -0.722 0.000 1.217 303 L HN 0.595 nan 8.230 nan 0.000 0.464 304 K N 4.729 125.205 120.400 0.126 0.000 2.159 304 K HA 0.572 4.899 4.320 0.010 0.000 0.266 304 K C -1.333 175.487 176.600 0.368 0.000 0.975 304 K CA -0.560 55.805 56.287 0.130 0.000 0.865 304 K CB 1.366 33.900 32.500 0.057 0.000 1.087 304 K HN 0.721 nan 8.250 nan 0.000 0.446 305 Y N -0.447 119.985 120.300 0.221 0.000 2.588 305 Y HA 0.423 4.979 4.550 0.010 0.000 0.343 305 Y C -0.981 174.979 175.900 0.099 0.000 1.065 305 Y CA -1.448 56.740 58.100 0.147 0.000 1.038 305 Y CB 0.894 39.439 38.460 0.142 0.000 1.297 305 Y HN 0.348 nan 8.280 nan 0.000 0.467 306 D N 1.028 121.574 120.400 0.243 0.000 2.210 306 D HA 0.489 5.135 4.640 0.010 0.000 0.249 306 D C 0.566 176.997 176.300 0.219 0.000 1.062 306 D CA 1.272 55.363 54.000 0.152 0.000 0.891 306 D CB 1.471 42.332 40.800 0.102 0.000 1.186 306 D HN 1.153 nan 8.370 nan 0.000 0.432 307 G N 2.138 111.028 108.800 0.150 0.000 2.855 307 G HA2 -0.143 3.823 3.960 0.010 0.000 0.352 307 G HA3 -0.143 3.823 3.960 0.010 0.000 0.352 307 G C -2.577 172.462 174.900 0.231 0.000 1.415 307 G CA -1.018 44.172 45.100 0.151 0.000 0.871 307 G HN 0.476 nan 8.290 nan 0.000 0.543 308 P HA 0.298 nan 4.420 nan 0.000 0.274 308 P C 1.226 178.649 177.300 0.204 0.000 1.237 308 P CA -0.680 62.535 63.100 0.193 0.000 0.793 308 P CB 0.814 32.578 31.700 0.106 0.000 0.977 309 I N 1.757 122.458 120.570 0.218 0.000 2.454 309 I HA -0.204 3.972 4.170 0.010 0.000 0.254 309 I C 1.886 178.023 176.117 0.033 0.000 1.156 309 I CA 1.975 63.332 61.300 0.095 0.000 1.433 309 I CB -0.817 37.255 38.000 0.120 0.000 1.082 309 I HN 0.385 nan 8.210 nan 0.000 0.432 310 S N -0.400 115.308 115.700 0.013 0.000 2.515 310 S HA -0.075 4.401 4.470 0.010 0.000 0.231 310 S C 1.614 176.163 174.600 -0.086 0.000 0.987 310 S CA 0.463 58.624 58.200 -0.065 0.000 0.936 310 S CB -0.171 62.976 63.200 -0.087 0.000 0.766 310 S HN 0.462 nan 8.310 nan 0.000 0.528 311 K N -0.250 120.126 120.400 -0.040 0.000 2.374 311 K HA 0.351 4.677 4.320 0.010 0.000 0.202 311 K C 1.198 177.761 176.600 -0.060 0.000 1.040 311 K CA -0.165 56.095 56.287 -0.045 0.000 1.085 311 K CB 0.136 32.634 32.500 -0.003 0.000 0.873 311 K HN 0.160 nan 8.250 nan 0.000 0.539 312 L N 1.968 123.144 121.223 -0.078 0.000 2.027 312 L HA -0.079 4.267 4.340 0.010 0.000 0.206 312 L C 2.316 179.063 176.870 -0.205 0.000 1.074 312 L CA 1.760 56.545 54.840 -0.092 0.000 0.745 312 L CB -0.336 41.664 42.059 -0.099 0.000 0.898 312 L HN 0.066 nan 8.230 nan 0.000 0.433 313 R N -0.555 119.614 120.500 -0.551 0.000 2.083 313 R HA -0.228 4.118 4.340 0.010 0.000 0.237 313 R C 2.338 178.505 176.300 -0.222 0.000 1.137 313 R CA 1.944 57.611 56.100 -0.723 0.000 0.951 313 R CB -0.302 29.365 30.300 -1.056 0.000 0.851 313 R HN 0.593 nan 8.270 nan 0.000 0.434 314 E N -0.149 119.956 120.200 -0.159 0.000 2.072 314 E HA -0.159 4.197 4.350 0.010 0.000 0.191 314 E C 1.790 178.374 176.600 -0.027 0.000 0.985 314 E CA 1.680 58.042 56.400 -0.063 0.000 0.801 314 E CB 0.038 29.713 29.700 -0.041 0.000 0.750 314 E HN 0.481 nan 8.360 nan 0.000 0.452 315 S N -0.259 115.425 115.700 -0.026 0.000 2.395 315 S HA -0.035 4.441 4.470 0.010 0.000 0.225 315 S C 1.125 175.734 174.600 0.015 0.000 1.027 315 S CA 0.497 58.698 58.200 0.002 0.000 0.965 315 S CB 0.234 63.442 63.200 0.013 0.000 0.812 315 S HN 0.105 nan 8.310 nan 0.000 0.482 316 N N 0.371 119.078 118.700 0.013 0.000 2.732 316 N HA 0.126 4.872 4.740 0.010 0.000 0.235 316 N C 0.159 175.706 175.510 0.062 0.000 1.466 316 N CA -0.275 52.794 53.050 0.031 0.000 0.751 316 N CB -0.013 38.477 38.487 0.006 0.000 1.317 316 N HN 0.446 nan 8.380 nan 0.000 0.525 317 H N 0.633 119.709 119.070 0.010 0.000 2.387 317 H HA -0.186 4.376 4.556 0.010 0.000 0.299 317 H C 1.305 176.742 175.328 0.183 0.000 1.099 317 H CA 2.206 58.302 56.048 0.080 0.000 1.315 317 H CB 0.630 30.434 29.762 0.070 0.000 1.380 317 H HN 0.461 nan 8.280 nan 0.000 0.513 318 Q N 1.356 121.209 119.800 0.088 0.000 2.029 318 Q HA -0.224 4.122 4.340 0.010 0.000 0.209 318 Q C 2.648 178.684 176.000 0.060 0.000 0.999 318 Q CA 2.512 58.367 55.803 0.086 0.000 0.857 318 Q CB -0.453 28.302 28.738 0.029 0.000 0.926 318 Q HN 0.445 nan 8.270 nan 0.000 0.415 319 R N -1.505 118.956 120.500 -0.064 0.000 2.092 319 R HA -0.171 4.175 4.340 0.010 0.000 0.231 319 R C 2.240 178.348 176.300 -0.320 0.000 1.119 319 R CA 1.323 57.251 56.100 -0.287 0.000 0.970 319 R CB -0.615 29.446 30.300 -0.398 0.000 0.864 319 R HN 0.458 nan 8.270 nan 0.000 0.440 320 Y N 0.827 120.955 120.300 -0.288 0.000 2.114 320 Y HA -0.281 4.274 4.550 0.009 0.000 0.282 320 Y C 1.824 177.617 175.900 -0.178 0.000 1.165 320 Y CA 1.817 59.782 58.100 -0.225 0.000 1.148 320 Y CB -0.074 38.296 38.460 -0.149 0.000 0.972 320 Y HN 0.051 nan 8.280 nan 0.000 0.504 321 I N -1.029 119.441 120.570 -0.167 0.000 2.233 321 I HA -0.246 3.931 4.170 0.010 0.000 0.243 321 I C 2.504 178.430 176.117 -0.318 0.000 1.093 321 I CA 1.445 62.547 61.300 -0.329 0.000 1.380 321 I CB -1.641 36.037 38.000 -0.537 0.000 1.067 321 I HN 0.153 nan 8.210 nan 0.000 0.413 322 S N 0.014 115.652 115.700 -0.103 0.000 2.374 322 S HA -0.203 4.273 4.470 0.010 0.000 0.227 322 S C 2.077 176.786 174.600 0.181 0.000 1.037 322 S CA 1.378 59.640 58.200 0.104 0.000 1.024 322 S CB -0.444 62.922 63.200 0.277 0.000 0.861 322 S HN 0.431 nan 8.310 nan 0.000 0.456 323 Y N 1.549 121.803 120.300 -0.076 0.000 2.293 323 Y HA -0.078 4.478 4.550 0.009 0.000 0.291 323 Y C 2.749 178.577 175.900 -0.120 0.000 1.137 323 Y CA 0.513 58.568 58.100 -0.076 0.000 1.202 323 Y CB -0.205 38.217 38.460 -0.064 0.000 0.990 323 Y HN 0.385 nan 8.280 nan 0.000 0.537 324 N N 1.157 119.836 118.700 -0.035 0.000 2.120 324 N HA -0.184 4.562 4.740 0.010 0.000 0.188 324 N C 1.659 177.159 175.510 -0.015 0.000 1.024 324 N CA 1.170 54.171 53.050 -0.082 0.000 0.852 324 N CB -0.135 38.249 38.487 -0.173 0.000 1.003 324 N HN 0.325 nan 8.380 nan 0.000 0.424 325 I N 0.942 121.480 120.570 -0.055 0.000 2.202 325 I HA -0.226 3.950 4.170 0.010 0.000 0.242 325 I C 2.227 178.335 176.117 -0.016 0.000 1.091 325 I CA 0.811 62.079 61.300 -0.054 0.000 1.368 325 I CB -0.169 37.705 38.000 -0.209 0.000 1.058 325 I HN 0.123 nan 8.210 nan 0.000 0.410 326 I N 0.837 121.406 120.570 -0.002 0.000 2.226 326 I HA -0.300 3.877 4.170 0.010 0.000 0.245 326 I C 2.801 178.932 176.117 0.023 0.000 1.100 326 I CA 1.331 62.645 61.300 0.022 0.000 1.374 326 I CB -0.464 37.530 38.000 -0.010 0.000 1.057 326 I HN 0.192 nan 8.210 nan 0.000 0.413 327 A N 0.345 123.161 122.820 -0.006 0.000 1.908 327 A HA -0.173 4.153 4.320 0.010 0.000 0.218 327 A C 2.433 180.037 177.584 0.034 0.000 1.181 327 A CA 1.902 53.922 52.037 -0.028 0.000 0.627 327 A CB -0.958 18.026 19.000 -0.026 0.000 0.818 327 A HN 0.258 nan 8.150 nan 0.000 0.445 328 V N -1.573 118.420 119.914 0.132 0.000 2.307 328 V HA -0.247 3.879 4.120 0.010 0.000 0.245 328 V C 2.356 178.610 176.094 0.266 0.000 1.045 328 V CA 2.035 64.476 62.300 0.235 0.000 1.024 328 V CB -0.978 31.077 31.823 0.386 0.000 0.651 328 V HN 0.697 nan 8.190 nan 0.000 0.449 329 Y N 1.469 121.858 120.300 0.149 0.000 2.224 329 Y HA -0.189 4.367 4.550 0.010 0.000 0.289 329 Y C 2.666 178.549 175.900 -0.028 0.000 1.146 329 Y CA 1.420 59.576 58.100 0.094 0.000 1.182 329 Y CB -0.320 38.124 38.460 -0.026 0.000 0.983 329 Y HN 0.091 nan 8.280 nan 0.000 0.524 330 R N -0.181 120.235 120.500 -0.140 0.000 2.083 330 R HA -0.145 4.201 4.340 0.010 0.000 0.237 330 R C 2.390 178.513 176.300 -0.295 0.000 1.137 330 R CA 1.543 57.475 56.100 -0.281 0.000 0.951 330 R CB -1.492 28.660 30.300 -0.245 0.000 0.851 330 R HN 0.347 nan 8.270 nan 0.000 0.434 331 V N 1.666 121.452 119.914 -0.213 0.000 2.343 331 V HA -0.209 3.917 4.120 0.010 0.000 0.247 331 V C 2.510 178.414 176.094 -0.316 0.000 1.051 331 V CA 1.537 63.685 62.300 -0.252 0.000 1.036 331 V CB -0.535 31.243 31.823 -0.075 0.000 0.654 331 V HN 0.191 nan 8.190 nan 0.000 0.451 332 L N -0.650 120.446 121.223 -0.212 0.000 2.083 332 L HA -0.223 4.124 4.340 0.010 0.000 0.209 332 L C 2.669 179.394 176.870 -0.243 0.000 1.083 332 L CA 1.560 56.281 54.840 -0.198 0.000 0.752 332 L CB -0.567 41.399 42.059 -0.156 0.000 0.899 332 L HN 0.374 nan 8.230 nan 0.000 0.433 333 Q N -0.075 119.502 119.800 -0.372 0.000 2.083 333 Q HA -0.151 4.195 4.340 0.010 0.000 0.198 333 Q C 2.356 178.226 176.000 -0.216 0.000 0.969 333 Q CA 1.303 56.902 55.803 -0.340 0.000 0.838 333 Q CB -0.053 28.400 28.738 -0.474 0.000 0.900 333 Q HN 0.507 nan 8.270 nan 0.000 0.436 334 I N 0.850 121.282 120.570 -0.231 0.000 2.163 334 I HA -0.294 3.882 4.170 0.010 0.000 0.243 334 I C 1.994 178.043 176.117 -0.114 0.000 1.085 334 I CA 1.439 62.655 61.300 -0.140 0.000 1.347 334 I CB -0.213 37.711 38.000 -0.127 0.000 1.044 334 I HN 0.199 nan 8.210 nan 0.000 0.408 335 D N 0.716 120.997 120.400 -0.198 0.000 2.144 335 D HA -0.144 4.502 4.640 0.010 0.000 0.200 335 D C 2.172 178.445 176.300 -0.045 0.000 0.978 335 D CA 1.292 55.270 54.000 -0.036 0.000 0.833 335 D CB 0.055 40.868 40.800 0.021 0.000 0.961 335 D HN 0.300 nan 8.370 nan 0.000 0.470 336 A N 0.380 123.158 122.820 -0.071 0.000 1.978 336 A HA -0.229 4.097 4.320 0.010 0.000 0.220 336 A C 2.102 179.642 177.584 -0.073 0.000 1.170 336 A CA 1.806 53.811 52.037 -0.052 0.000 0.636 336 A CB -0.555 18.420 19.000 -0.041 0.000 0.810 336 A HN 0.263 nan 8.150 nan 0.000 0.448 337 K N -1.369 118.975 120.400 -0.094 0.000 2.005 337 K HA -0.049 4.277 4.320 0.010 0.000 0.206 337 K C 2.202 178.707 176.600 -0.159 0.000 1.044 337 K CA 0.684 56.902 56.287 -0.115 0.000 0.942 337 K CB -0.128 32.318 32.500 -0.090 0.000 0.727 337 K HN 0.202 nan 8.250 nan 0.000 0.439 338 R N 0.626 120.989 120.500 -0.228 0.000 2.127 338 R HA 0.036 4.382 4.340 0.010 0.000 0.217 338 R C 0.367 176.331 176.300 -0.561 0.000 1.074 338 R CA 0.727 56.520 56.100 -0.511 0.000 0.991 338 R CB -0.263 29.466 30.300 -0.952 0.000 0.895 338 R HN 0.423 nan 8.270 nan 0.000 0.450 339 Q N -0.567 119.051 119.800 -0.303 0.000 2.478 339 Q HA -0.173 4.173 4.340 0.010 0.000 0.286 339 Q C 0.026 176.020 176.000 -0.009 0.000 1.299 339 Q CA 0.358 56.093 55.803 -0.113 0.000 0.826 339 Q CB -1.704 26.978 28.738 -0.093 0.000 1.199 339 Q HN 0.182 nan 8.270 nan 0.000 0.451 340 F N -0.620 119.414 119.950 0.141 0.000 2.325 340 F HA -0.069 4.464 4.527 0.010 0.000 0.299 340 F C 2.127 177.912 175.800 -0.025 0.000 1.090 340 F CA 0.401 58.413 58.000 0.020 0.000 1.392 340 F CB -0.156 38.844 39.000 -0.000 0.000 1.053 340 F HN 0.259 nan 8.300 nan 0.000 0.521 341 I N 0.019 120.735 120.570 0.244 0.000 2.202 341 I HA -0.248 3.929 4.170 0.010 0.000 0.242 341 I C 2.021 178.182 176.117 0.073 0.000 1.091 341 I CA 1.055 62.450 61.300 0.159 0.000 1.368 341 I CB -1.239 36.893 38.000 0.220 0.000 1.058 341 I HN 0.118 nan 8.210 nan 0.000 0.410 342 N N 1.270 120.011 118.700 0.068 0.000 2.104 342 N HA -0.199 4.547 4.740 0.010 0.000 0.190 342 N C 1.900 177.416 175.510 0.011 0.000 1.024 342 N CA 1.095 54.173 53.050 0.046 0.000 0.853 342 N CB -0.636 37.855 38.487 0.007 0.000 1.008 342 N HN 0.249 nan 8.380 nan 0.000 0.424 343 L N 1.057 122.260 121.223 -0.033 0.000 2.012 343 L HA -0.112 4.234 4.340 0.010 0.000 0.210 343 L C 2.053 178.802 176.870 -0.202 0.000 1.073 343 L CA 1.683 56.442 54.840 -0.135 0.000 0.748 343 L CB -0.893 41.062 42.059 -0.175 0.000 0.891 343 L HN 0.015 nan 8.230 nan 0.000 0.431 344 S N -0.357 115.224 115.700 -0.200 0.000 2.368 344 S HA -0.151 4.325 4.470 0.010 0.000 0.225 344 S C 1.923 176.389 174.600 -0.224 0.000 1.030 344 S CA 1.737 59.794 58.200 -0.238 0.000 0.999 344 S CB -0.516 62.569 63.200 -0.192 0.000 0.844 344 S HN 0.462 nan 8.310 nan 0.000 0.459 345 L N 1.263 122.373 121.223 -0.188 0.000 2.027 345 L HA -0.147 4.199 4.340 0.010 0.000 0.206 345 L C 2.297 179.008 176.870 -0.266 0.000 1.074 345 L CA 1.183 55.831 54.840 -0.320 0.000 0.745 345 L CB -0.779 41.100 42.059 -0.301 0.000 0.898 345 L HN 0.170 nan 8.230 nan 0.000 0.433 346 D N -0.098 120.283 120.400 -0.033 0.000 2.103 346 D HA -0.219 4.427 4.640 0.010 0.000 0.190 346 D C 2.304 178.634 176.300 0.049 0.000 0.997 346 D CA 1.506 55.580 54.000 0.123 0.000 0.833 346 D CB -0.135 40.710 40.800 0.075 0.000 0.961 346 D HN 0.168 nan 8.370 nan 0.000 0.447 347 M N -0.041 119.513 119.600 -0.077 0.000 2.132 347 M HA -0.012 4.474 4.480 0.010 0.000 0.263 347 M C 2.433 178.704 176.300 -0.049 0.000 1.065 347 M CA 1.276 56.523 55.300 -0.088 0.000 1.122 347 M CB -1.335 31.147 32.600 -0.197 0.000 1.365 347 M HN 0.035 nan 8.290 nan 0.000 0.411 348 G N -0.485 108.225 108.800 -0.150 0.000 2.459 348 G HA2 -0.244 3.722 3.960 0.010 0.000 0.217 348 G HA3 -0.244 3.722 3.960 0.010 0.000 0.217 348 G C 1.265 176.087 174.900 -0.130 0.000 1.183 348 G CA 0.792 45.773 45.100 -0.199 0.000 0.776 348 G HN 0.351 nan 8.290 nan 0.000 0.552 349 Y N -0.984 119.279 120.300 -0.062 0.000 2.314 349 Y HA 0.032 4.589 4.550 0.011 0.000 0.293 349 Y C 2.420 178.363 175.900 0.072 0.000 1.129 349 Y CA 0.429 58.508 58.100 -0.036 0.000 1.201 349 Y CB -0.692 37.651 38.460 -0.194 0.000 0.999 349 Y HN 0.305 nan 8.280 nan 0.000 0.541 350 Y N 0.287 120.655 120.300 0.114 0.000 2.128 350 Y HA -0.276 4.280 4.550 0.010 0.000 0.284 350 Y C 2.429 178.350 175.900 0.035 0.000 1.154 350 Y CA 1.726 59.864 58.100 0.064 0.000 1.149 350 Y CB -0.526 37.940 38.460 0.009 0.000 0.976 350 Y HN 0.026 nan 8.280 nan 0.000 0.505 351 A N -0.305 122.558 122.820 0.072 0.000 2.067 351 A HA 0.011 4.337 4.320 0.010 0.000 0.217 351 A C 0.929 178.525 177.584 0.020 0.000 1.156 351 A CA 0.880 52.911 52.037 -0.011 0.000 0.683 351 A CB -0.397 18.599 19.000 -0.005 0.000 0.808 351 A HN 0.468 nan 8.150 nan 0.000 0.455 352 K N -0.697 119.754 120.400 0.084 0.000 3.353 352 K HA -0.143 4.184 4.320 0.010 0.000 0.272 352 K C -0.417 176.204 176.600 0.034 0.000 1.071 352 K CA 0.890 57.252 56.287 0.125 0.000 0.789 352 K CB -2.166 30.384 32.500 0.082 0.000 1.325 352 K HN 0.816 nan 8.250 nan 0.000 0.464 353 I N -3.401 117.194 120.570 0.042 0.000 3.108 353 I HA 0.329 4.505 4.170 0.010 0.000 0.312 353 I C 0.144 176.253 176.117 -0.013 0.000 1.095 353 I CA -1.492 59.800 61.300 -0.013 0.000 1.000 353 I CB 1.441 39.440 38.000 -0.001 0.000 1.229 353 I HN -0.006 nan 8.210 nan 0.000 0.454 354 Q N 1.908 121.691 119.800 -0.028 0.000 2.304 354 Q HA 0.098 4.444 4.340 0.010 0.000 0.301 354 Q C 0.891 176.878 176.000 -0.020 0.000 1.063 354 Q CA -0.254 55.554 55.803 0.007 0.000 0.947 354 Q CB 1.133 29.869 28.738 -0.004 0.000 1.201 354 Q HN 0.529 nan 8.270 nan 0.000 0.389 355 I N 2.397 122.939 120.570 -0.046 0.000 2.264 355 I HA -0.318 3.858 4.170 0.010 0.000 0.248 355 I C 2.466 178.531 176.117 -0.086 0.000 1.111 355 I CA 1.611 62.831 61.300 -0.134 0.000 1.382 355 I CB -1.295 36.599 38.000 -0.177 0.000 1.060 355 I HN 0.777 nan 8.210 nan 0.000 0.418 356 Q N 0.494 120.287 119.800 -0.012 0.000 2.364 356 Q HA -0.098 4.248 4.340 0.010 0.000 0.207 356 Q C 1.693 177.751 176.000 0.097 0.000 0.970 356 Q CA 1.304 57.146 55.803 0.066 0.000 0.888 356 Q CB -0.751 28.052 28.738 0.108 0.000 0.951 356 Q HN 0.362 nan 8.270 nan 0.000 0.469 357 S N 1.495 117.210 115.700 0.026 0.000 2.555 357 S HA -0.029 4.447 4.470 0.010 0.000 0.230 357 S C 1.916 176.522 174.600 0.011 0.000 0.978 357 S CA 0.737 58.959 58.200 0.036 0.000 0.934 357 S CB -0.227 62.980 63.200 0.012 0.000 0.766 357 S HN 0.509 nan 8.310 nan 0.000 0.533 358 V N -1.250 118.617 119.914 -0.078 0.000 2.828 358 V HA -0.100 4.026 4.120 0.010 0.000 0.260 358 V C 1.558 177.623 176.094 -0.049 0.000 1.101 358 V CA 1.482 63.705 62.300 -0.128 0.000 1.123 358 V CB -1.258 30.419 31.823 -0.245 0.000 0.704 358 V HN 0.372 nan 8.190 nan 0.000 0.493 359 F N 1.455 121.441 119.950 0.060 0.000 2.502 359 F HA 0.205 4.739 4.527 0.012 0.000 0.298 359 F C 1.791 177.578 175.800 -0.021 0.000 1.111 359 F CA 1.184 59.180 58.000 -0.007 0.000 1.445 359 F CB -0.251 38.693 39.000 -0.093 0.000 1.081 359 F HN 0.288 nan 8.300 nan 0.000 0.558 360 S N 1.715 117.507 115.700 0.153 0.000 2.532 360 S HA 0.272 4.748 4.470 0.010 0.000 0.318 360 S C -1.515 173.140 174.600 0.092 0.000 1.083 360 S CA -1.716 56.544 58.200 0.100 0.000 1.131 360 S CB 0.862 64.106 63.200 0.074 0.000 0.973 360 S HN -0.160 nan 8.310 nan 0.000 0.468 361 P HA -0.052 nan 4.420 nan 0.000 0.220 361 P C 1.455 178.882 177.300 0.212 0.000 1.148 361 P CA 0.809 63.996 63.100 0.145 0.000 0.803 361 P CB 0.122 31.942 31.700 0.199 0.000 0.782 362 I N 0.014 120.681 120.570 0.162 0.000 2.179 362 I HA -0.244 3.932 4.170 0.010 0.000 0.242 362 I C 2.639 178.947 176.117 0.318 0.000 1.088 362 I CA 1.535 62.966 61.300 0.218 0.000 1.357 362 I CB -0.456 37.675 38.000 0.217 0.000 1.051 362 I HN -0.093 nan 8.210 nan 0.000 0.409 363 K N 0.857 121.376 120.400 0.199 0.000 2.057 363 K HA -0.145 4.182 4.320 0.010 0.000 0.207 363 K C 1.961 178.651 176.600 0.151 0.000 1.049 363 K CA 1.991 58.374 56.287 0.159 0.000 0.931 363 K CB -0.595 31.955 32.500 0.083 0.000 0.714 363 K HN 0.210 nan 8.250 nan 0.000 0.440 364 T N -0.535 114.071 114.554 0.088 0.000 2.674 364 T HA -0.148 4.208 4.350 0.010 0.000 0.265 364 T C 1.532 176.228 174.700 -0.007 0.000 1.039 364 T CA 1.807 63.887 62.100 -0.032 0.000 1.150 364 T CB -0.477 68.280 68.868 -0.185 0.000 0.864 364 T HN 0.410 nan 8.240 nan 0.000 0.427 365 W N 1.235 122.661 121.300 0.210 0.000 2.402 365 W HA -0.012 4.654 4.660 0.010 0.000 0.286 365 W C 2.311 179.067 176.519 0.394 0.000 1.221 365 W CA 0.317 57.833 57.345 0.284 0.000 1.257 365 W CB -0.244 29.375 29.460 0.264 0.000 1.120 365 W HN 0.255 nan 8.180 nan 0.000 0.551 366 D N 0.052 120.839 120.400 0.645 0.000 2.123 366 D HA -0.185 4.461 4.640 0.010 0.000 0.196 366 D C 2.175 178.724 176.300 0.414 0.000 0.992 366 D CA 1.957 56.271 54.000 0.523 0.000 0.833 366 D CB -0.326 40.695 40.800 0.368 0.000 0.954 366 D HN 0.024 nan 8.370 nan 0.000 0.455 367 A N -0.092 122.920 122.820 0.320 0.000 1.897 367 A HA -0.032 4.295 4.320 0.010 0.000 0.215 367 A C 2.444 180.187 177.584 0.264 0.000 1.181 367 A CA 0.832 53.053 52.037 0.306 0.000 0.620 367 A CB -0.649 18.464 19.000 0.189 0.000 0.821 367 A HN 0.315 nan 8.150 nan 0.000 0.443 368 I N -0.265 120.425 120.570 0.201 0.000 2.163 368 I HA -0.281 3.895 4.170 0.010 0.000 0.243 368 I C 2.289 178.529 176.117 0.205 0.000 1.085 368 I CA 1.493 62.878 61.300 0.143 0.000 1.347 368 I CB -0.312 37.774 38.000 0.143 0.000 1.044 368 I HN 0.296 nan 8.210 nan 0.000 0.408 369 I N -0.004 120.761 120.570 0.325 0.000 2.252 369 I HA -0.308 3.868 4.170 0.010 0.000 0.245 369 I C 2.491 178.739 176.117 0.219 0.000 1.102 369 I CA 1.474 62.918 61.300 0.240 0.000 1.385 369 I CB -0.368 37.756 38.000 0.206 0.000 1.064 369 I HN 0.191 nan 8.210 nan 0.000 0.414 370 F N 1.923 121.974 119.950 0.168 0.000 2.102 370 F HA -0.258 4.276 4.527 0.011 0.000 0.298 370 F C 2.397 178.251 175.800 0.091 0.000 1.105 370 F CA 1.730 59.811 58.000 0.134 0.000 1.239 370 F CB -0.383 38.700 39.000 0.139 0.000 0.991 370 F HN 0.042 nan 8.300 nan 0.000 0.474 371 N N 0.111 118.594 118.700 -0.361 0.000 2.149 371 N HA -0.218 4.528 4.740 0.010 0.000 0.188 371 N C 2.117 177.474 175.510 -0.255 0.000 1.019 371 N CA 1.500 54.280 53.050 -0.449 0.000 0.857 371 N CB -0.454 37.904 38.487 -0.215 0.000 0.997 371 N HN 0.378 nan 8.380 nan 0.000 0.426 372 S N 0.897 116.529 115.700 -0.114 0.000 2.356 372 S HA 0.022 4.498 4.470 0.010 0.000 0.223 372 S C 2.103 176.667 174.600 -0.060 0.000 1.032 372 S CA 0.655 58.820 58.200 -0.057 0.000 1.005 372 S CB -0.103 63.100 63.200 0.006 0.000 0.867 372 S HN 0.199 nan 8.310 nan 0.000 0.449 373 L N 1.064 122.256 121.223 -0.052 0.000 2.109 373 L HA 0.002 4.348 4.340 0.010 0.000 0.207 373 L C 2.622 179.463 176.870 -0.048 0.000 1.086 373 L CA 1.333 56.157 54.840 -0.026 0.000 0.760 373 L CB -0.452 41.623 42.059 0.026 0.000 0.910 373 L HN 0.312 nan 8.230 nan 0.000 0.437 374 K N 0.243 120.556 120.400 -0.145 0.000 2.063 374 K HA -0.222 4.104 4.320 0.010 0.000 0.208 374 K C 2.008 178.571 176.600 -0.063 0.000 1.048 374 K CA 1.337 57.540 56.287 -0.140 0.000 0.928 374 K CB 0.048 32.312 32.500 -0.393 0.000 0.713 374 K HN 0.156 nan 8.250 nan 0.000 0.442 375 E N 0.341 120.491 120.200 -0.083 0.000 2.273 375 E HA -0.178 4.178 4.350 0.010 0.000 0.198 375 E C 1.286 177.880 176.600 -0.010 0.000 1.002 375 E CA 1.010 57.387 56.400 -0.038 0.000 0.828 375 E CB 0.130 29.806 29.700 -0.041 0.000 0.747 375 E HN 0.440 nan 8.360 nan 0.000 0.491 376 Q N 0.029 119.826 119.800 -0.005 0.000 2.198 376 Q HA 0.105 4.451 4.340 0.010 0.000 0.209 376 Q C -0.088 175.933 176.000 0.035 0.000 0.848 376 Q CA -0.255 55.554 55.803 0.009 0.000 0.974 376 Q CB 0.257 28.997 28.738 0.002 0.000 1.115 376 Q HN 0.140 nan 8.270 nan 0.000 0.494 377 N N 1.079 119.808 118.700 0.049 0.000 2.714 377 N HA -0.177 4.569 4.740 0.010 0.000 0.250 377 N C -0.655 174.933 175.510 0.129 0.000 1.117 377 N CA 0.959 54.068 53.050 0.098 0.000 0.719 377 N CB -0.917 37.569 38.487 -0.002 0.000 1.081 377 N HN 0.375 nan 8.380 nan 0.000 0.557 378 K N 0.035 120.481 120.400 0.076 0.000 2.098 378 K HA 0.596 4.922 4.320 0.010 0.000 0.261 378 K C 0.150 176.738 176.600 -0.021 0.000 0.987 378 K CA -0.541 55.781 56.287 0.059 0.000 0.916 378 K CB 1.643 34.169 32.500 0.043 0.000 1.039 378 K HN -0.158 nan 8.250 nan 0.000 0.455 379 V N 3.978 123.849 119.914 -0.072 0.000 2.448 379 V HA 0.305 4.431 4.120 0.010 0.000 0.295 379 V C 0.086 176.169 176.094 -0.018 0.000 1.025 379 V CA -0.997 61.185 62.300 -0.197 0.000 0.859 379 V CB 1.170 32.700 31.823 -0.488 0.000 0.988 379 V HN 0.665 nan 8.190 nan 0.000 0.431 380 I N 4.141 124.754 120.570 0.071 0.000 2.638 380 I HA 0.512 4.688 4.170 0.010 0.000 0.286 380 I C -2.116 174.050 176.117 0.081 0.000 1.088 380 I CA -1.714 59.669 61.300 0.138 0.000 1.397 380 I CB 1.150 39.284 38.000 0.223 0.000 1.414 380 I HN 0.380 nan 8.210 nan 0.000 0.566 381 P HA 0.071 nan 4.420 nan 0.000 0.274 381 P C -1.103 176.194 177.300 -0.006 0.000 1.246 381 P CA -0.290 62.849 63.100 0.064 0.000 0.795 381 P CB 0.654 32.418 31.700 0.106 0.000 1.006 382 Q N 0.128 119.939 119.800 0.018 0.000 2.373 382 Q HA 0.348 4.694 4.340 0.010 0.000 0.255 382 Q C 0.469 176.438 176.000 -0.052 0.000 0.980 382 Q CA -0.362 55.433 55.803 -0.014 0.000 0.882 382 Q CB 0.207 28.945 28.738 -0.000 0.000 1.249 382 Q HN 0.603 nan 8.270 nan 0.000 0.438 383 G N 3.242 112.001 108.800 -0.068 0.000 2.365 383 G HA2 0.198 4.165 3.960 0.010 0.000 0.249 383 G HA3 0.198 4.165 3.960 0.010 0.000 0.249 383 G C -0.651 174.212 174.900 -0.061 0.000 1.288 383 G CA -0.300 44.765 45.100 -0.058 0.000 0.887 383 G HN 0.608 nan 8.290 nan 0.000 0.524 384 R N 0.850 121.301 120.500 -0.082 0.000 2.787 384 R HA 0.524 4.870 4.340 0.010 0.000 0.271 384 R C -0.008 176.004 176.300 -0.479 0.000 0.993 384 R CA -0.663 55.286 56.100 -0.252 0.000 0.993 384 R CB 1.801 31.931 30.300 -0.283 0.000 1.155 384 R HN 0.531 nan 8.270 nan 0.000 0.486 385 S N 1.084 116.476 115.700 -0.513 0.000 2.499 385 S HA 0.216 4.692 4.470 0.010 0.000 0.275 385 S C -0.891 173.266 174.600 -0.738 0.000 1.257 385 S CA -0.455 57.425 58.200 -0.533 0.000 1.050 385 S CB 0.218 63.224 63.200 -0.323 0.000 0.937 385 S HN 0.439 nan 8.310 nan 0.000 0.490 386 H N 4.148 122.997 119.070 -0.368 0.000 2.679 386 H HA 0.415 4.977 4.556 0.010 0.000 0.360 386 H C -2.481 172.651 175.328 -0.327 0.000 1.105 386 H CA -1.697 54.163 56.048 -0.313 0.000 1.196 386 H CB 1.458 30.955 29.762 -0.442 0.000 1.636 386 H HN 0.524 nan 8.280 nan 0.000 0.531 387 P HA 0.052 nan 4.420 nan 0.000 0.275 387 P C 0.102 177.369 177.300 -0.055 0.000 1.227 387 P CA -0.434 62.624 63.100 -0.070 0.000 0.781 387 P CB 1.109 32.798 31.700 -0.018 0.000 0.906 388 V N 4.105 123.983 119.914 -0.059 0.000 2.585 388 V HA 0.023 4.149 4.120 0.010 0.000 0.296 388 V C 0.736 176.866 176.094 0.061 0.000 1.035 388 V CA 0.541 62.838 62.300 -0.006 0.000 1.084 388 V CB -0.438 31.387 31.823 0.003 0.000 0.953 388 V HN 0.550 nan 8.190 nan 0.000 0.483 389 Q N 4.985 124.863 119.800 0.130 0.000 2.305 389 Q HA 0.436 4.782 4.340 0.010 0.000 0.271 389 Q C -2.641 173.481 176.000 0.203 0.000 1.046 389 Q CA -1.796 54.094 55.803 0.145 0.000 0.798 389 Q CB 2.515 31.343 28.738 0.149 0.000 1.286 389 Q HN 0.525 nan 8.270 nan 0.000 0.435 390 P HA 0.073 nan 4.420 nan 0.000 0.272 390 P C -1.506 175.924 177.300 0.216 0.000 1.223 390 P CA 0.098 63.273 63.100 0.126 0.000 0.784 390 P CB 0.227 31.965 31.700 0.063 0.000 0.923 391 Y N -0.425 119.906 120.300 0.052 0.000 2.597 391 Y HA 0.707 5.263 4.550 0.010 0.000 0.340 391 Y C -2.877 173.054 175.900 0.050 0.000 1.097 391 Y CA -2.826 55.298 58.100 0.041 0.000 1.037 391 Y CB -0.187 38.289 38.460 0.026 0.000 1.305 391 Y HN 0.228 nan 8.280 nan 0.000 0.463 392 P HA 0.484 nan 4.420 nan 0.000 0.277 392 P C -0.296 177.062 177.300 0.096 0.000 1.240 392 P CA 0.050 63.204 63.100 0.090 0.000 0.798 392 P CB 1.816 33.590 31.700 0.123 0.000 0.979 393 G N 0.086 108.927 108.800 0.069 0.000 3.247 393 G HA2 0.601 4.567 3.960 0.010 0.000 0.163 393 G HA3 0.601 4.567 3.960 0.010 0.000 0.163 393 G C -0.662 174.351 174.900 0.188 0.000 1.206 393 G CA -0.211 44.961 45.100 0.120 0.000 0.918 393 G HN 0.731 nan 8.290 nan 0.000 0.625 394 A N -0.869 122.074 122.820 0.206 0.000 2.287 394 A HA 0.615 4.941 4.320 0.010 0.000 0.273 394 A C -0.927 176.794 177.584 0.228 0.000 1.091 394 A CA -0.431 51.752 52.037 0.243 0.000 0.817 394 A CB 0.489 19.619 19.000 0.217 0.000 1.069 394 A HN 0.726 nan 8.150 nan 0.000 0.492 395 F N 1.474 121.489 119.950 0.109 0.000 2.394 395 F HA 0.558 5.091 4.527 0.010 0.000 0.340 395 F C -0.491 175.342 175.800 0.055 0.000 1.105 395 F CA -0.351 57.698 58.000 0.081 0.000 1.124 395 F CB 1.257 40.306 39.000 0.082 0.000 1.145 395 F HN 0.261 nan 8.300 nan 0.000 0.505 396 V N 6.444 125.868 119.914 -0.817 0.000 2.483 396 V HA 0.283 4.410 4.120 0.010 0.000 0.297 396 V C -0.349 175.127 176.094 -1.030 0.000 1.027 396 V CA -1.246 60.657 62.300 -0.663 0.000 0.855 396 V CB 1.482 33.163 31.823 -0.238 0.000 0.995 396 V HN 0.739 nan 8.190 nan 0.000 0.424 397 K N 2.686 122.648 120.400 -0.730 0.000 2.298 397 K HA 0.257 4.583 4.320 0.010 0.000 0.280 397 K C -0.007 176.561 176.600 -0.054 0.000 1.032 397 K CA -0.391 55.695 56.287 -0.336 0.000 0.958 397 K CB 0.862 33.337 32.500 -0.042 0.000 0.978 397 K HN 0.753 nan 8.250 nan 0.000 0.472 398 E N 6.084 126.294 120.200 0.017 0.000 2.166 398 E HA 0.124 4.481 4.350 0.010 0.000 0.279 398 E C -2.207 174.465 176.600 0.121 0.000 1.095 398 E CA -1.861 54.595 56.400 0.095 0.000 0.888 398 E CB 0.583 30.326 29.700 0.072 0.000 1.041 398 E HN 0.300 nan 8.360 nan 0.000 0.414 399 P HA 0.198 nan 4.420 nan 0.000 0.279 399 P C -0.441 176.910 177.300 0.084 0.000 1.252 399 P CA -0.359 62.770 63.100 0.048 0.000 0.811 399 P CB 0.856 32.482 31.700 -0.124 0.000 1.035 400 I N 3.141 123.769 120.570 0.097 0.000 2.379 400 I HA 0.141 4.317 4.170 0.010 0.000 0.290 400 I C -1.914 174.335 176.117 0.222 0.000 1.063 400 I CA -2.068 59.317 61.300 0.142 0.000 1.351 400 I CB 0.259 38.339 38.000 0.133 0.000 1.410 400 I HN 0.140 nan 8.210 nan 0.000 0.505 401 P HA 0.141 nan 4.420 nan 0.000 0.267 401 P C -0.634 176.771 177.300 0.176 0.000 1.209 401 P CA 0.165 63.405 63.100 0.233 0.000 0.763 401 P CB 0.499 32.297 31.700 0.164 0.000 0.816 402 N N 1.233 120.071 118.700 0.229 0.000 3.533 402 N HA 0.117 4.863 4.740 0.010 0.000 0.229 402 N C -1.301 174.229 175.510 0.033 0.000 1.418 402 N CA -0.852 52.186 53.050 -0.021 0.000 0.880 402 N CB 1.305 39.578 38.487 -0.357 0.000 1.415 402 N HN 0.291 nan 8.380 nan 0.000 0.491 403 R N 0.460 120.904 120.500 -0.094 0.000 2.582 403 R HA 0.485 4.831 4.340 0.010 0.000 0.271 403 R C -1.020 175.117 176.300 -0.271 0.000 1.078 403 R CA 0.063 56.170 56.100 0.012 0.000 1.127 403 R CB 0.388 30.689 30.300 0.003 0.000 1.038 403 R HN 0.484 nan 8.270 nan 0.000 0.500 404 Y N 0.623 121.037 120.300 0.190 0.000 2.331 404 Y HA 0.230 4.786 4.550 0.010 0.000 0.326 404 Y C 0.736 176.697 175.900 0.102 0.000 1.020 404 Y CA -0.883 57.306 58.100 0.147 0.000 1.136 404 Y CB 2.191 40.768 38.460 0.195 0.000 1.157 404 Y HN 0.721 nan 8.280 nan 0.000 0.444 405 K N 2.266 122.733 120.400 0.112 0.000 1.991 405 K HA 0.043 4.369 4.320 0.010 0.000 0.207 405 K C -0.661 175.773 176.600 -0.276 0.000 1.045 405 K CA 1.243 57.453 56.287 -0.128 0.000 0.937 405 K CB 0.155 32.523 32.500 -0.219 0.000 0.720 405 K HN 0.622 nan 8.250 nan 0.000 0.438 406 Y N 0.341 120.695 120.300 0.091 0.000 2.328 406 Y HA 0.384 4.941 4.550 0.010 0.000 0.337 406 Y C -0.886 175.125 175.900 0.185 0.000 0.966 406 Y CA -1.058 57.081 58.100 0.066 0.000 1.136 406 Y CB 2.024 40.435 38.460 -0.081 0.000 1.170 406 Y HN -0.274 nan 8.280 nan 0.000 0.470 407 V N 5.085 125.228 119.914 0.382 0.000 2.760 407 V HA 0.462 4.588 4.120 0.010 0.000 0.309 407 V C -0.455 175.843 176.094 0.340 0.000 1.077 407 V CA -1.001 61.516 62.300 0.362 0.000 0.910 407 V CB 2.093 34.163 31.823 0.411 0.000 1.008 407 V HN 0.777 nan 8.190 nan 0.000 0.424 408 M N 3.727 123.497 119.600 0.284 0.000 2.321 408 M HA 0.538 5.024 4.480 0.010 0.000 0.315 408 M C -0.264 176.052 176.300 0.027 0.000 1.052 408 M CA -0.330 55.053 55.300 0.138 0.000 0.936 408 M CB 2.385 35.077 32.600 0.153 0.000 1.639 408 M HN 0.821 nan 8.290 nan 0.000 0.433 409 S N 2.380 117.952 115.700 -0.215 0.000 2.593 409 S HA 0.869 5.345 4.470 0.010 0.000 0.297 409 S C -1.006 173.253 174.600 -0.570 0.000 1.112 409 S CA -0.593 57.375 58.200 -0.388 0.000 1.043 409 S CB 1.393 64.212 63.200 -0.635 0.000 1.054 409 S HN 0.471 nan 8.310 nan 0.000 0.516 410 F N 0.285 120.137 119.950 -0.162 0.000 2.576 410 F HA 0.662 5.195 4.527 0.010 0.000 0.313 410 F C -0.266 175.511 175.800 -0.038 0.000 1.078 410 F CA -0.626 57.347 58.000 -0.046 0.000 0.921 410 F CB 2.385 41.393 39.000 0.014 0.000 1.232 410 F HN 0.833 nan 8.300 nan 0.000 0.459 411 D N 1.353 121.870 120.400 0.195 0.000 2.947 411 D HA 0.514 5.160 4.640 0.010 0.000 0.224 411 D C -1.678 174.712 176.300 0.150 0.000 1.230 411 D CA -0.374 53.708 54.000 0.136 0.000 0.871 411 D CB 1.577 42.423 40.800 0.076 0.000 1.671 411 D HN 0.454 nan 8.370 nan 0.000 0.507 412 L N 2.655 123.953 121.223 0.126 0.000 2.331 412 L HA 0.340 4.686 4.340 0.010 0.000 0.278 412 L C 0.493 177.399 176.870 0.059 0.000 1.106 412 L CA -0.276 54.609 54.840 0.075 0.000 0.824 412 L CB 1.252 43.318 42.059 0.013 0.000 1.142 412 L HN 0.468 nan 8.230 nan 0.000 0.443 413 T N 1.939 116.536 114.554 0.071 0.000 2.853 413 T HA -0.010 4.346 4.350 0.010 0.000 0.298 413 T C 0.646 175.362 174.700 0.026 0.000 0.978 413 T CA -0.202 61.958 62.100 0.100 0.000 1.152 413 T CB 0.377 69.363 68.868 0.196 0.000 0.914 413 T HN 0.738 nan 8.240 nan 0.000 0.539 414 S N 2.186 117.929 115.700 0.072 0.000 3.247 414 S HA -0.153 4.323 4.470 0.010 0.000 0.341 414 S C 1.211 175.774 174.600 -0.061 0.000 0.924 414 S CA -0.115 58.103 58.200 0.030 0.000 1.323 414 S CB -1.124 62.130 63.200 0.090 0.000 0.918 414 S HN 0.672 nan 8.310 nan 0.000 0.523 415 L N 2.396 123.610 121.223 -0.015 0.000 1.956 415 L HA -0.135 4.211 4.340 0.010 0.000 0.216 415 L C 1.952 178.889 176.870 0.111 0.000 1.073 415 L CA 2.144 57.000 54.840 0.027 0.000 0.762 415 L CB -0.682 41.438 42.059 0.102 0.000 0.889 415 L HN 0.607 nan 8.230 nan 0.000 0.433 416 Y N -0.127 120.122 120.300 -0.084 0.000 2.181 416 Y HA -0.095 4.461 4.550 0.010 0.000 0.288 416 Y C -0.115 175.678 175.900 -0.178 0.000 1.146 416 Y CA 0.960 58.997 58.100 -0.105 0.000 1.164 416 Y CB -2.488 35.941 38.460 -0.052 0.000 0.982 416 Y HN 0.326 nan 8.280 nan 0.000 0.515 417 P HA -0.087 nan 4.420 nan 0.000 0.217 417 P C 1.806 178.937 177.300 -0.281 0.000 1.150 417 P CA 2.125 65.137 63.100 -0.147 0.000 0.832 417 P CB 0.045 31.680 31.700 -0.109 0.000 0.787 418 S N -0.836 114.668 115.700 -0.327 0.000 2.402 418 S HA -0.077 4.399 4.470 0.010 0.000 0.229 418 S C 1.851 176.199 174.600 -0.421 0.000 1.021 418 S CA 0.919 58.861 58.200 -0.430 0.000 0.974 418 S CB -0.988 61.937 63.200 -0.459 0.000 0.800 418 S HN 0.126 nan 8.310 nan 0.000 0.484 419 I N 1.268 121.612 120.570 -0.376 0.000 2.202 419 I HA -0.172 4.004 4.170 0.010 0.000 0.242 419 I C 2.053 177.834 176.117 -0.560 0.000 1.091 419 I CA 1.166 62.139 61.300 -0.545 0.000 1.368 419 I CB -0.393 37.322 38.000 -0.474 0.000 1.058 419 I HN 0.238 nan 8.210 nan 0.000 0.410 420 I N 0.555 120.869 120.570 -0.426 0.000 2.151 420 I HA -0.339 3.838 4.170 0.010 0.000 0.243 420 I C 2.743 178.630 176.117 -0.384 0.000 1.080 420 I CA 1.637 62.695 61.300 -0.403 0.000 1.339 420 I CB -0.353 37.458 38.000 -0.314 0.000 1.039 420 I HN 0.186 nan 8.210 nan 0.000 0.409 421 R N 0.007 120.299 120.500 -0.347 0.000 2.073 421 R HA -0.194 4.152 4.340 0.010 0.000 0.229 421 R C 2.295 178.413 176.300 -0.305 0.000 1.120 421 R CA 1.396 57.320 56.100 -0.293 0.000 0.967 421 R CB -0.355 29.778 30.300 -0.279 0.000 0.862 421 R HN 0.421 nan 8.270 nan 0.000 0.436 422 Q N 0.694 120.265 119.800 -0.380 0.000 2.046 422 Q HA -0.114 4.232 4.340 0.010 0.000 0.200 422 Q C 1.775 177.571 176.000 -0.341 0.000 0.975 422 Q CA 1.629 57.217 55.803 -0.358 0.000 0.836 422 Q CB 0.187 28.666 28.738 -0.430 0.000 0.896 422 Q HN 0.152 nan 8.270 nan 0.000 0.428 423 V N 0.922 120.550 119.914 -0.478 0.000 2.788 423 V HA -0.058 4.068 4.120 0.010 0.000 0.251 423 V C 0.505 176.369 176.094 -0.384 0.000 1.068 423 V CA 0.927 62.961 62.300 -0.443 0.000 1.090 423 V CB -0.773 30.675 31.823 -0.625 0.000 0.710 423 V HN 0.712 nan 8.190 nan 0.000 0.467 424 N N -0.032 118.430 118.700 -0.396 0.000 2.806 424 N HA -0.183 4.564 4.740 0.010 0.000 0.248 424 N C -0.586 174.613 175.510 -0.519 0.000 1.081 424 N CA 0.231 53.088 53.050 -0.322 0.000 0.680 424 N CB -1.522 36.883 38.487 -0.136 0.000 0.941 424 N HN 0.522 nan 8.380 nan 0.000 0.554 425 I N 0.488 120.652 120.570 -0.677 0.000 2.337 425 I HA 0.340 4.516 4.170 0.010 0.000 0.291 425 I C 0.657 176.539 176.117 -0.392 0.000 1.046 425 I CA 0.001 60.794 61.300 -0.845 0.000 1.324 425 I CB 1.236 38.778 38.000 -0.764 0.000 1.409 425 I HN 0.268 nan 8.210 nan 0.000 0.494 426 S N 7.085 122.658 115.700 -0.211 0.000 2.567 426 S HA 0.412 4.888 4.470 0.010 0.000 0.270 426 S C -2.081 172.512 174.600 -0.012 0.000 1.152 426 S CA -0.960 57.169 58.200 -0.117 0.000 0.835 426 S CB 1.834 64.965 63.200 -0.116 0.000 1.115 426 S HN 0.315 nan 8.310 nan 0.000 0.459 427 P HA -0.129 nan 4.420 nan 0.000 0.215 427 P C 0.946 178.309 177.300 0.105 0.000 1.153 427 P CA 1.307 64.442 63.100 0.060 0.000 0.853 427 P CB -0.026 31.719 31.700 0.075 0.000 0.788 428 E N 0.263 120.465 120.200 0.003 0.000 2.479 428 E HA -0.022 4.335 4.350 0.010 0.000 0.193 428 E C 0.887 177.583 176.600 0.159 0.000 1.049 428 E CA 0.914 57.335 56.400 0.035 0.000 0.870 428 E CB -1.009 28.619 29.700 -0.121 0.000 0.944 428 E HN 0.277 nan 8.360 nan 0.000 0.492 429 T N -1.211 113.400 114.554 0.095 0.000 3.069 429 T HA 0.327 4.683 4.350 0.010 0.000 0.252 429 T C 1.035 175.538 174.700 -0.328 0.000 1.053 429 T CA -0.480 61.651 62.100 0.052 0.000 0.964 429 T CB -0.419 68.526 68.868 0.129 0.000 1.005 429 T HN 0.024 nan 8.240 nan 0.000 0.532 430 I N 2.159 122.569 120.570 -0.267 0.000 2.662 430 I HA 0.218 4.395 4.170 0.010 0.000 0.285 430 I C 1.444 177.050 176.117 -0.851 0.000 1.161 430 I CA -0.215 60.758 61.300 -0.545 0.000 1.415 430 I CB 0.759 38.564 38.000 -0.324 0.000 1.385 430 I HN 0.297 nan 8.210 nan 0.000 0.552 431 A N 4.968 127.171 122.820 -1.028 0.000 2.167 431 A HA 0.630 4.956 4.320 0.010 0.000 0.208 431 A C 0.948 178.130 177.584 -0.670 0.000 1.198 431 A CA 0.648 52.020 52.037 -1.109 0.000 0.863 431 A CB 0.233 18.254 19.000 -1.631 0.000 0.904 431 A HN 0.928 nan 8.150 nan 0.000 0.484 432 G N -1.516 106.961 108.800 -0.539 0.000 2.356 432 G HA2 0.444 4.410 3.960 0.010 0.000 0.266 432 G HA3 0.444 4.410 3.960 0.010 0.000 0.266 432 G C -0.415 174.323 174.900 -0.271 0.000 1.312 432 G CA 0.192 45.102 45.100 -0.317 0.000 0.922 432 G HN 1.062 nan 8.290 nan 0.000 0.480 433 T N -1.695 112.766 114.554 -0.155 0.000 2.916 433 T HA 0.862 5.218 4.350 0.010 0.000 0.292 433 T C -0.525 174.178 174.700 0.005 0.000 1.064 433 T CA -0.185 61.823 62.100 -0.153 0.000 1.011 433 T CB 2.065 70.813 68.868 -0.200 0.000 1.152 433 T HN 1.819 nan 8.240 nan 0.000 0.510 434 F N -1.064 118.844 119.950 -0.070 0.000 2.631 434 F HA 0.788 5.321 4.527 0.010 0.000 0.328 434 F C -0.257 175.536 175.800 -0.012 0.000 1.067 434 F CA -1.677 56.307 58.000 -0.027 0.000 0.969 434 F CB 1.533 40.525 39.000 -0.013 0.000 1.332 434 F HN 0.714 nan 8.300 nan 0.000 0.490 435 K N 2.077 122.601 120.400 0.206 0.000 2.349 435 K HA 0.450 4.776 4.320 0.010 0.000 0.289 435 K C -1.171 175.546 176.600 0.194 0.000 1.064 435 K CA -0.403 55.947 56.287 0.104 0.000 0.947 435 K CB 0.542 33.110 32.500 0.112 0.000 1.007 435 K HN 0.645 nan 8.250 nan 0.000 0.478 436 V N 3.913 123.841 119.914 0.024 0.000 2.583 436 V HA 0.317 4.443 4.120 0.010 0.000 0.287 436 V C 0.541 176.741 176.094 0.176 0.000 1.051 436 V CA -0.614 61.766 62.300 0.134 0.000 1.010 436 V CB 0.940 32.741 31.823 -0.036 0.000 0.988 436 V HN 0.926 nan 8.190 nan 0.000 0.478 437 A N 6.696 129.669 122.820 0.255 0.000 2.269 437 A HA 0.827 5.153 4.320 0.010 0.000 0.319 437 A C -2.503 175.068 177.584 -0.022 0.000 1.110 437 A CA -1.894 50.123 52.037 -0.033 0.000 0.847 437 A CB 0.324 19.110 19.000 -0.356 0.000 1.161 437 A HN 0.693 nan 8.150 nan 0.000 0.497 438 P HA 0.050 nan 4.420 nan 0.000 0.267 438 P C 0.929 178.130 177.300 -0.165 0.000 1.200 438 P CA -0.276 62.733 63.100 -0.153 0.000 0.772 438 P CB 0.415 31.938 31.700 -0.296 0.000 0.855 439 L N 3.613 124.858 121.223 0.037 0.000 2.081 439 L HA -0.235 4.111 4.340 0.010 0.000 0.212 439 L C 2.428 179.350 176.870 0.087 0.000 1.080 439 L CA 1.875 56.807 54.840 0.153 0.000 0.754 439 L CB -1.260 40.878 42.059 0.131 0.000 0.893 439 L HN 0.550 nan 8.230 nan 0.000 0.433 440 H N -2.525 116.580 119.070 0.059 0.000 2.457 440 H HA -0.149 4.413 4.556 0.010 0.000 0.297 440 H C 1.296 176.632 175.328 0.014 0.000 1.092 440 H CA 1.351 57.413 56.048 0.022 0.000 1.309 440 H CB -0.514 29.247 29.762 -0.002 0.000 1.382 440 H HN 0.375 nan 8.280 nan 0.000 0.535 441 D N 0.937 121.089 120.400 -0.414 0.000 2.144 441 D HA -0.102 4.544 4.640 0.010 0.000 0.200 441 D C 1.905 178.122 176.300 -0.139 0.000 0.978 441 D CA 0.917 54.733 54.000 -0.307 0.000 0.833 441 D CB -0.418 40.083 40.800 -0.499 0.000 0.961 441 D HN 0.449 nan 8.370 nan 0.000 0.470 442 Y N 0.773 121.140 120.300 0.113 0.000 2.220 442 Y HA 0.025 4.581 4.550 0.010 0.000 0.291 442 Y C 2.418 178.564 175.900 0.409 0.000 1.129 442 Y CA 0.251 58.524 58.100 0.289 0.000 1.161 442 Y CB -0.521 38.011 38.460 0.120 0.000 0.997 442 Y HN -0.070 nan 8.280 nan 0.000 0.522 443 I N 0.285 121.083 120.570 0.380 0.000 2.264 443 I HA -0.336 3.840 4.170 0.010 0.000 0.248 443 I C 1.259 177.453 176.117 0.127 0.000 1.111 443 I CA 1.528 63.013 61.300 0.310 0.000 1.382 443 I CB -0.297 37.784 38.000 0.135 0.000 1.060 443 I HN 0.296 nan 8.210 nan 0.000 0.418 444 N N 0.869 119.608 118.700 0.065 0.000 2.270 444 N HA 0.216 4.962 4.740 0.010 0.000 0.198 444 N C 0.686 176.137 175.510 -0.099 0.000 1.117 444 N CA 0.775 53.780 53.050 -0.076 0.000 0.845 444 N CB 0.705 39.174 38.487 -0.030 0.000 0.980 444 N HN 0.258 nan 8.380 nan 0.000 0.486 445 A N 0.429 123.271 122.820 0.038 0.000 2.791 445 A HA -0.183 4.144 4.320 0.010 0.000 0.292 445 A C 1.290 178.818 177.584 -0.093 0.000 1.487 445 A CA 1.065 53.062 52.037 -0.067 0.000 0.760 445 A CB -2.156 16.680 19.000 -0.274 0.000 1.031 445 A HN 0.299 nan 8.150 nan 0.000 0.503 446 V N -4.213 115.696 119.914 -0.009 0.000 3.570 446 V HA 0.684 4.810 4.120 0.010 0.000 0.257 446 V C 1.221 177.307 176.094 -0.013 0.000 1.272 446 V CA 0.870 63.153 62.300 -0.028 0.000 1.079 446 V CB -0.462 31.340 31.823 -0.035 0.000 0.829 446 V HN 2.063 nan 8.190 nan 0.000 0.454 447 A N 2.411 125.212 122.820 -0.031 0.000 2.483 447 A HA 0.370 4.696 4.320 0.010 0.000 0.238 447 A C 0.597 178.256 177.584 0.125 0.000 1.070 447 A CA 0.148 52.124 52.037 -0.102 0.000 0.770 447 A CB -0.186 18.448 19.000 -0.610 0.000 1.008 447 A HN 0.811 nan 8.150 nan 0.000 0.497 448 E N 1.756 122.005 120.200 0.082 0.000 2.415 448 E HA 0.123 4.479 4.350 0.010 0.000 0.262 448 E C 0.098 176.805 176.600 0.179 0.000 1.038 448 E CA -0.497 55.979 56.400 0.126 0.000 0.921 448 E CB 0.485 30.226 29.700 0.069 0.000 0.950 448 E HN 0.559 nan 8.360 nan 0.000 0.438 449 R N 3.226 123.835 120.500 0.182 0.000 2.480 449 R HA -0.004 4.342 4.340 0.010 0.000 0.303 449 R C -1.590 174.632 176.300 -0.131 0.000 0.985 449 R CA -0.937 55.208 56.100 0.076 0.000 1.051 449 R CB 0.281 30.645 30.300 0.106 0.000 0.935 449 R HN 0.500 nan 8.270 nan 0.000 0.410 450 P HA -0.127 nan 4.420 nan 0.000 0.216 450 P C -0.300 176.703 177.300 -0.495 0.000 1.153 450 P CA 1.132 63.748 63.100 -0.807 0.000 0.858 450 P CB 0.288 31.047 31.700 -1.569 0.000 0.789 451 S N -2.363 113.150 115.700 -0.311 0.000 2.537 451 S HA 0.240 4.716 4.470 0.010 0.000 0.271 451 S C -0.889 173.644 174.600 -0.112 0.000 1.148 451 S CA -0.698 57.407 58.200 -0.157 0.000 0.868 451 S CB 0.735 63.881 63.200 -0.091 0.000 1.115 451 S HN -0.180 nan 8.310 nan 0.000 0.461 452 D N 2.595 122.936 120.400 -0.098 0.000 2.395 452 D HA 0.229 4.875 4.640 0.010 0.000 0.213 452 D C 1.089 177.306 176.300 -0.138 0.000 1.110 452 D CA 0.453 54.398 54.000 -0.090 0.000 0.835 452 D CB 0.954 41.714 40.800 -0.066 0.000 0.965 452 D HN 0.268 nan 8.370 nan 0.000 0.505 453 V N -0.485 119.296 119.914 -0.222 0.000 3.058 453 V HA 0.108 4.234 4.120 0.010 0.000 0.233 453 V C -0.081 175.766 176.094 -0.412 0.000 1.255 453 V CA 0.343 62.392 62.300 -0.419 0.000 1.267 453 V CB 0.426 31.798 31.823 -0.751 0.000 1.049 453 V HN -0.079 nan 8.190 nan 0.000 0.486 454 Y N 0.222 120.526 120.300 0.006 0.000 2.567 454 Y HA 0.670 5.226 4.550 0.010 0.000 0.333 454 Y C 0.544 176.445 175.900 0.001 0.000 1.106 454 Y CA -1.265 56.848 58.100 0.021 0.000 1.157 454 Y CB 1.344 39.810 38.460 0.010 0.000 1.277 454 Y HN -0.024 nan 8.280 nan 0.000 0.490 455 S N 0.786 116.621 115.700 0.225 0.000 2.499 455 S HA 0.605 5.081 4.470 0.010 0.000 0.279 455 S C -0.881 173.823 174.600 0.172 0.000 1.219 455 S CA -0.361 57.916 58.200 0.129 0.000 1.062 455 S CB -0.373 62.882 63.200 0.091 0.000 0.978 455 S HN 0.663 nan 8.310 nan 0.000 0.489 456 C N 3.498 122.856 119.300 0.097 0.000 2.667 456 C HA 0.894 5.360 4.460 0.010 0.000 0.323 456 C C 0.021 175.121 174.990 0.184 0.000 1.214 456 C CA -0.837 58.264 59.018 0.138 0.000 1.721 456 C CB 1.390 29.066 27.740 -0.107 0.000 2.275 456 C HN 0.972 nan 8.230 nan 0.000 0.491 457 S N 1.057 116.919 115.700 0.271 0.000 2.536 457 S HA 0.544 5.021 4.470 0.010 0.000 0.298 457 S C -2.362 172.318 174.600 0.132 0.000 1.083 457 S CA -1.073 57.279 58.200 0.253 0.000 0.995 457 S CB 1.774 65.106 63.200 0.221 0.000 1.058 457 S HN 0.615 nan 8.310 nan 0.000 0.488 458 P HA -0.054 nan 4.420 nan 0.000 0.236 458 P C 0.519 177.738 177.300 -0.135 0.000 1.172 458 P CA 0.658 63.598 63.100 -0.268 0.000 0.759 458 P CB -0.336 31.160 31.700 -0.341 0.000 0.843 459 N N -0.243 118.399 118.700 -0.096 0.000 2.398 459 N HA 0.000 4.747 4.740 0.010 0.000 0.188 459 N C 1.302 176.623 175.510 -0.315 0.000 1.122 459 N CA 0.983 53.950 53.050 -0.138 0.000 0.866 459 N CB -0.642 37.797 38.487 -0.080 0.000 0.970 459 N HN 0.188 nan 8.380 nan 0.000 0.462 460 G N -0.457 107.981 108.800 -0.603 0.000 2.184 460 G HA2 -0.176 3.790 3.960 0.010 0.000 0.206 460 G HA3 -0.176 3.790 3.960 0.010 0.000 0.206 460 G C -0.197 174.215 174.900 -0.814 0.000 0.995 460 G CA -0.059 44.309 45.100 -1.220 0.000 0.651 460 G HN 0.189 nan 8.290 nan 0.000 0.511 461 M N 0.839 120.231 119.600 -0.346 0.000 2.277 461 M HA 0.683 5.169 4.480 0.010 0.000 0.350 461 M C 0.532 176.750 176.300 -0.137 0.000 1.180 461 M CA 0.098 55.231 55.300 -0.279 0.000 1.103 461 M CB 1.082 33.524 32.600 -0.264 0.000 1.577 461 M HN 0.203 nan 8.290 nan 0.000 0.459 462 M N 2.438 121.809 119.600 -0.382 0.000 2.535 462 M HA 0.532 5.018 4.480 0.010 0.000 0.314 462 M C -1.610 174.249 176.300 -0.736 0.000 1.153 462 M CA -0.622 54.513 55.300 -0.274 0.000 0.924 462 M CB 2.195 34.754 32.600 -0.068 0.000 1.710 462 M HN 0.449 nan 8.290 nan 0.000 0.451 463 Y N -0.317 119.877 120.300 -0.176 0.000 2.512 463 Y HA 0.475 5.031 4.550 0.010 0.000 0.348 463 Y C -0.699 175.129 175.900 -0.119 0.000 0.990 463 Y CA -0.913 57.023 58.100 -0.273 0.000 1.033 463 Y CB 1.342 39.695 38.460 -0.179 0.000 1.259 463 Y HN 0.469 nan 8.280 nan 0.000 0.461 464 Y N 1.552 121.911 120.300 0.100 0.000 2.683 464 Y HA 0.016 4.572 4.550 0.010 0.000 0.340 464 Y C 1.053 177.045 175.900 0.153 0.000 1.245 464 Y CA 0.137 58.332 58.100 0.158 0.000 1.485 464 Y CB 0.676 39.187 38.460 0.085 0.000 1.328 464 Y HN 0.548 nan 8.280 nan 0.000 0.603 465 K N 0.973 121.572 120.400 0.331 0.000 2.374 465 K HA -0.035 4.291 4.320 0.010 0.000 0.202 465 K C 0.866 177.531 176.600 0.108 0.000 1.040 465 K CA 0.350 56.739 56.287 0.169 0.000 1.085 465 K CB 0.312 32.888 32.500 0.125 0.000 0.873 465 K HN 0.733 nan 8.250 nan 0.000 0.539 466 D N 1.016 121.483 120.400 0.112 0.000 2.194 466 D HA -0.119 4.527 4.640 0.010 0.000 0.204 466 D C 0.688 177.002 176.300 0.022 0.000 0.964 466 D CA 0.780 54.803 54.000 0.039 0.000 0.846 466 D CB 0.323 41.120 40.800 -0.006 0.000 0.962 466 D HN -0.042 nan 8.370 nan 0.000 0.490 467 R N -0.130 120.394 120.500 0.039 0.000 2.707 467 R HA 0.221 4.567 4.340 0.010 0.000 0.272 467 R C -1.679 174.641 176.300 0.033 0.000 1.011 467 R CA -0.672 55.440 56.100 0.021 0.000 0.893 467 R CB 1.705 32.004 30.300 -0.002 0.000 1.233 467 R HN -0.290 nan 8.270 nan 0.000 0.464 468 D N 1.338 121.743 120.400 0.008 0.000 2.425 468 D HA 0.176 4.822 4.640 0.010 0.000 0.247 468 D C 0.234 176.528 176.300 -0.011 0.000 1.147 468 D CA 0.722 54.716 54.000 -0.010 0.000 0.879 468 D CB 1.207 41.995 40.800 -0.019 0.000 1.179 468 D HN 0.657 nan 8.370 nan 0.000 0.456 469 G N 0.676 109.459 108.800 -0.029 0.000 2.636 469 G HA2 0.112 4.078 3.960 0.010 0.000 0.246 469 G HA3 0.112 4.078 3.960 0.010 0.000 0.246 469 G C 1.234 176.096 174.900 -0.064 0.000 1.216 469 G CA -0.614 44.459 45.100 -0.045 0.000 0.854 469 G HN 0.384 nan 8.290 nan 0.000 0.572 470 V N 1.286 121.150 119.914 -0.083 0.000 2.427 470 V HA -0.143 3.983 4.120 0.010 0.000 0.248 470 V C 2.795 178.838 176.094 -0.085 0.000 1.051 470 V CA 2.045 64.299 62.300 -0.077 0.000 1.048 470 V CB -0.336 31.427 31.823 -0.100 0.000 0.666 470 V HN 0.458 nan 8.190 nan 0.000 0.456 471 V N 0.750 120.577 119.914 -0.145 0.000 2.270 471 V HA -0.110 4.016 4.120 0.010 0.000 0.245 471 V C 0.248 176.252 176.094 -0.150 0.000 1.043 471 V CA 2.686 64.881 62.300 -0.175 0.000 1.014 471 V CB -1.863 29.826 31.823 -0.224 0.000 0.645 471 V HN 0.505 nan 8.190 nan 0.000 0.447 472 P HA -0.129 nan 4.420 nan 0.000 0.215 472 P C 1.820 179.087 177.300 -0.055 0.000 1.153 472 P CA 1.804 64.827 63.100 -0.128 0.000 0.853 472 P CB -0.224 31.390 31.700 -0.143 0.000 0.788 473 T N -0.260 114.277 114.554 -0.027 0.000 2.684 473 T HA -0.147 4.209 4.350 0.010 0.000 0.267 473 T C 1.584 176.334 174.700 0.084 0.000 1.036 473 T CA 1.321 63.435 62.100 0.022 0.000 1.148 473 T CB -0.637 68.241 68.868 0.018 0.000 0.863 473 T HN 0.171 nan 8.240 nan 0.000 0.436 474 E N 0.574 120.841 120.200 0.112 0.000 2.112 474 E HA 0.109 4.465 4.350 0.010 0.000 0.190 474 E C 2.196 179.002 176.600 0.344 0.000 0.979 474 E CA 0.344 56.898 56.400 0.256 0.000 0.814 474 E CB -0.399 29.506 29.700 0.341 0.000 0.762 474 E HN 0.453 nan 8.360 nan 0.000 0.460 475 I N 1.165 121.837 120.570 0.169 0.000 2.361 475 I HA -0.243 3.934 4.170 0.010 0.000 0.251 475 I C 1.816 178.055 176.117 0.203 0.000 1.133 475 I CA 1.087 62.478 61.300 0.152 0.000 1.413 475 I CB 0.051 37.989 38.000 -0.104 0.000 1.073 475 I HN 0.060 nan 8.210 nan 0.000 0.424 476 T N 0.659 115.301 114.554 0.146 0.000 2.746 476 T HA -0.195 4.161 4.350 0.010 0.000 0.267 476 T C 1.829 176.670 174.700 0.235 0.000 1.039 476 T CA 1.337 63.545 62.100 0.180 0.000 1.142 476 T CB -0.107 68.823 68.868 0.103 0.000 0.866 476 T HN 0.339 nan 8.240 nan 0.000 0.444 477 K N 0.562 121.091 120.400 0.215 0.000 2.032 477 K HA -0.058 4.268 4.320 0.010 0.000 0.209 477 K C 2.316 179.003 176.600 0.144 0.000 1.048 477 K CA 1.113 57.520 56.287 0.200 0.000 0.927 477 K CB -0.423 32.243 32.500 0.278 0.000 0.712 477 K HN 0.155 nan 8.250 nan 0.000 0.441 478 V N 1.013 121.036 119.914 0.182 0.000 2.427 478 V HA -0.210 3.917 4.120 0.010 0.000 0.248 478 V C 1.951 178.108 176.094 0.106 0.000 1.051 478 V CA 1.465 63.810 62.300 0.074 0.000 1.048 478 V CB -0.554 31.365 31.823 0.159 0.000 0.666 478 V HN 0.228 nan 8.190 nan 0.000 0.456 479 F N 2.314 122.302 119.950 0.064 0.000 2.126 479 F HA -0.209 4.324 4.527 0.010 0.000 0.299 479 F C 2.253 178.058 175.800 0.008 0.000 1.096 479 F CA 1.974 59.994 58.000 0.033 0.000 1.255 479 F CB -0.453 38.563 39.000 0.027 0.000 0.997 479 F HN 0.183 nan 8.300 nan 0.000 0.479 480 N N 0.532 119.157 118.700 -0.126 0.000 2.166 480 N HA -0.182 4.564 4.740 0.010 0.000 0.186 480 N C 1.844 177.206 175.510 -0.247 0.000 1.019 480 N CA 1.538 54.448 53.050 -0.233 0.000 0.856 480 N CB -0.592 37.877 38.487 -0.031 0.000 0.993 480 N HN 0.537 nan 8.380 nan 0.000 0.426 481 Q N 0.299 120.008 119.800 -0.152 0.000 2.061 481 Q HA -0.084 4.262 4.340 0.010 0.000 0.204 481 Q C 2.178 178.115 176.000 -0.105 0.000 0.984 481 Q CA 1.011 56.745 55.803 -0.115 0.000 0.846 481 Q CB -0.065 28.621 28.738 -0.086 0.000 0.902 481 Q HN 0.240 nan 8.270 nan 0.000 0.421 482 R N 1.488 121.899 120.500 -0.150 0.000 2.083 482 R HA -0.186 4.160 4.340 0.010 0.000 0.237 482 R C 2.033 178.182 176.300 -0.252 0.000 1.137 482 R CA 1.760 57.773 56.100 -0.145 0.000 0.951 482 R CB -0.212 30.014 30.300 -0.123 0.000 0.851 482 R HN 0.128 nan 8.270 nan 0.000 0.434 483 K N 0.616 120.736 120.400 -0.466 0.000 2.063 483 K HA -0.203 4.124 4.320 0.010 0.000 0.208 483 K C 2.047 178.414 176.600 -0.389 0.000 1.048 483 K CA 1.907 57.916 56.287 -0.464 0.000 0.928 483 K CB -0.150 31.977 32.500 -0.622 0.000 0.713 483 K HN 0.268 nan 8.250 nan 0.000 0.442 484 E N -0.313 119.627 120.200 -0.433 0.000 2.051 484 E HA -0.237 4.120 4.350 0.010 0.000 0.192 484 E C 1.915 177.973 176.600 -0.904 0.000 0.991 484 E CA 1.266 57.284 56.400 -0.637 0.000 0.799 484 E CB -0.007 29.336 29.700 -0.595 0.000 0.748 484 E HN 0.485 nan 8.360 nan 0.000 0.449 485 H N 0.040 118.833 119.070 -0.462 0.000 2.423 485 H HA -0.053 4.509 4.556 0.010 0.000 0.297 485 H C 2.121 177.302 175.328 -0.245 0.000 1.075 485 H CA 1.308 57.175 56.048 -0.301 0.000 1.342 485 H CB 0.009 29.700 29.762 -0.117 0.000 1.395 485 H HN 0.156 nan 8.280 nan 0.000 0.530 486 K N 0.747 121.062 120.400 -0.142 0.000 2.057 486 K HA -0.098 4.229 4.320 0.010 0.000 0.207 486 K C 2.419 178.925 176.600 -0.158 0.000 1.049 486 K CA 1.129 57.342 56.287 -0.125 0.000 0.931 486 K CB -0.203 32.225 32.500 -0.121 0.000 0.714 486 K HN 0.230 nan 8.250 nan 0.000 0.440 487 G N 0.207 108.848 108.800 -0.266 0.000 2.446 487 G HA2 -0.263 3.703 3.960 0.010 0.000 0.217 487 G HA3 -0.263 3.703 3.960 0.010 0.000 0.217 487 G C 1.092 175.883 174.900 -0.181 0.000 1.168 487 G CA 1.077 46.025 45.100 -0.254 0.000 0.771 487 G HN 0.284 nan 8.290 nan 0.000 0.551 488 Y N -0.046 120.134 120.300 -0.200 0.000 2.181 488 Y HA -0.012 4.544 4.550 0.010 0.000 0.288 488 Y C 2.822 178.618 175.900 -0.172 0.000 1.146 488 Y CA 0.793 58.740 58.100 -0.255 0.000 1.164 488 Y CB -0.881 37.433 38.460 -0.243 0.000 0.982 488 Y HN 0.186 nan 8.280 nan 0.000 0.515 489 M N -0.579 119.038 119.600 0.028 0.000 2.086 489 M HA -0.201 4.285 4.480 0.010 0.000 0.261 489 M C 1.874 178.150 176.300 -0.041 0.000 1.067 489 M CA 1.814 57.108 55.300 -0.011 0.000 1.116 489 M CB -0.348 32.239 32.600 -0.021 0.000 1.348 489 M HN 0.301 nan 8.290 nan 0.000 0.407 490 L N -0.060 121.131 121.223 -0.054 0.000 2.093 490 L HA -0.121 4.225 4.340 0.010 0.000 0.208 490 L C 2.754 179.580 176.870 -0.074 0.000 1.085 490 L CA 0.970 55.773 54.840 -0.062 0.000 0.755 490 L CB -0.924 41.095 42.059 -0.066 0.000 0.904 490 L HN 0.397 nan 8.230 nan 0.000 0.435 491 A N 0.216 122.989 122.820 -0.078 0.000 1.902 491 A HA -0.172 4.154 4.320 0.010 0.000 0.217 491 A C 2.540 180.040 177.584 -0.140 0.000 1.181 491 A CA 1.707 53.682 52.037 -0.104 0.000 0.623 491 A CB -0.684 18.258 19.000 -0.097 0.000 0.818 491 A HN 0.386 nan 8.150 nan 0.000 0.443 492 A N -1.006 121.751 122.820 -0.104 0.000 1.933 492 A HA -0.221 4.106 4.320 0.010 0.000 0.218 492 A C 2.177 179.705 177.584 -0.093 0.000 1.175 492 A CA 1.792 53.776 52.037 -0.089 0.000 0.628 492 A CB -0.536 18.427 19.000 -0.061 0.000 0.814 492 A HN 0.669 nan 8.150 nan 0.000 0.444 493 Q N -0.599 119.156 119.800 -0.075 0.000 2.046 493 Q HA -0.166 4.180 4.340 0.010 0.000 0.200 493 Q C 2.360 178.327 176.000 -0.055 0.000 0.975 493 Q CA 1.450 57.224 55.803 -0.048 0.000 0.836 493 Q CB -0.086 28.635 28.738 -0.029 0.000 0.896 493 Q HN 0.673 nan 8.270 nan 0.000 0.428 494 R N 0.057 120.503 120.500 -0.090 0.000 2.081 494 R HA -0.085 4.261 4.340 0.010 0.000 0.235 494 R C 2.008 178.232 176.300 -0.127 0.000 1.131 494 R CA 1.315 57.356 56.100 -0.098 0.000 0.960 494 R CB -0.219 30.018 30.300 -0.104 0.000 0.856 494 R HN 0.324 nan 8.270 nan 0.000 0.436 495 N N 0.231 118.779 118.700 -0.253 0.000 2.166 495 N HA -0.113 4.633 4.740 0.010 0.000 0.186 495 N C 1.836 177.306 175.510 -0.065 0.000 1.019 495 N CA 1.509 54.296 53.050 -0.439 0.000 0.856 495 N CB -0.608 37.310 38.487 -0.948 0.000 0.993 495 N HN 0.329 nan 8.380 nan 0.000 0.426 496 G N 1.710 110.492 108.800 -0.030 0.000 2.440 496 G HA2 -0.227 3.739 3.960 0.010 0.000 0.218 496 G HA3 -0.227 3.739 3.960 0.010 0.000 0.218 496 G C 1.429 176.358 174.900 0.048 0.000 1.154 496 G CA 0.614 45.731 45.100 0.028 0.000 0.767 496 G HN 0.245 nan 8.290 nan 0.000 0.552 497 E N 0.493 120.716 120.200 0.038 0.000 2.150 497 E HA -0.041 4.315 4.350 0.010 0.000 0.193 497 E C 2.584 179.217 176.600 0.054 0.000 0.985 497 E CA 0.329 56.762 56.400 0.056 0.000 0.814 497 E CB -0.230 29.508 29.700 0.063 0.000 0.752 497 E HN 0.540 nan 8.360 nan 0.000 0.466 498 I N 0.853 121.467 120.570 0.074 0.000 2.163 498 I HA -0.286 3.890 4.170 0.010 0.000 0.243 498 I C 2.385 178.569 176.117 0.112 0.000 1.085 498 I CA 1.093 62.464 61.300 0.118 0.000 1.347 498 I CB -0.286 37.846 38.000 0.221 0.000 1.044 498 I HN 0.038 nan 8.210 nan 0.000 0.408 499 I N 0.480 121.139 120.570 0.148 0.000 2.252 499 I HA -0.277 3.899 4.170 0.010 0.000 0.245 499 I C 2.484 178.606 176.117 0.008 0.000 1.102 499 I CA 1.402 62.768 61.300 0.110 0.000 1.385 499 I CB -0.385 37.715 38.000 0.167 0.000 1.064 499 I HN 0.128 nan 8.210 nan 0.000 0.414 500 K N 0.518 120.910 120.400 -0.014 0.000 2.063 500 K HA -0.193 4.133 4.320 0.010 0.000 0.208 500 K C 2.084 178.489 176.600 -0.325 0.000 1.048 500 K CA 1.282 57.507 56.287 -0.103 0.000 0.928 500 K CB -0.121 32.357 32.500 -0.037 0.000 0.713 500 K HN 0.290 nan 8.250 nan 0.000 0.442 501 E N 0.475 120.541 120.200 -0.222 0.000 2.051 501 E HA -0.181 4.175 4.350 0.010 0.000 0.192 501 E C 2.071 178.522 176.600 -0.249 0.000 0.991 501 E CA 1.286 57.524 56.400 -0.269 0.000 0.799 501 E CB -0.194 29.493 29.700 -0.021 0.000 0.748 501 E HN 0.323 nan 8.360 nan 0.000 0.449 502 A N 1.044 123.800 122.820 -0.106 0.000 2.015 502 A HA -0.092 4.234 4.320 0.010 0.000 0.219 502 A C 2.261 179.816 177.584 -0.048 0.000 1.163 502 A CA 0.746 52.760 52.037 -0.038 0.000 0.646 502 A CB -0.572 18.429 19.000 0.002 0.000 0.806 502 A HN 0.160 nan 8.150 nan 0.000 0.448 503 L N -0.760 120.396 121.223 -0.112 0.000 2.465 503 L HA -0.111 4.235 4.340 0.010 0.000 0.224 503 L C 2.043 178.919 176.870 0.010 0.000 1.145 503 L CA 0.370 55.175 54.840 -0.058 0.000 0.834 503 L CB -0.426 41.599 42.059 -0.058 0.000 0.944 503 L HN 0.434 nan 8.230 nan 0.000 0.451 504 H N -0.917 118.176 119.070 0.038 0.000 2.462 504 H HA 0.058 4.620 4.556 0.010 0.000 0.292 504 H C 0.539 175.885 175.328 0.029 0.000 1.049 504 H CA 0.658 56.727 56.048 0.034 0.000 1.334 504 H CB 0.024 29.809 29.762 0.038 0.000 1.404 504 H HN 0.195 nan 8.280 nan 0.000 0.544 505 N N 1.124 119.902 118.700 0.131 0.000 2.765 505 N HA 0.150 4.896 4.740 0.010 0.000 0.277 505 N C -2.714 172.826 175.510 0.050 0.000 1.750 505 N CA -1.222 51.877 53.050 0.081 0.000 0.827 505 N CB 1.567 40.098 38.487 0.074 0.000 1.200 505 N HN 0.147 nan 8.380 nan 0.000 0.494 506 P HA 0.279 nan 4.420 nan 0.000 0.278 506 P C -0.535 176.779 177.300 0.023 0.000 1.238 506 P CA -0.371 62.746 63.100 0.029 0.000 0.794 506 P CB 1.058 32.775 31.700 0.028 0.000 0.955 507 N N 1.213 119.923 118.700 0.017 0.000 2.518 507 N HA 0.242 4.988 4.740 0.010 0.000 0.283 507 N C -0.225 175.291 175.510 0.011 0.000 1.119 507 N CA -0.327 52.731 53.050 0.013 0.000 0.983 507 N CB 0.154 38.646 38.487 0.009 0.000 1.139 507 N HN 0.328 nan 8.380 nan 0.000 0.465 508 L N 1.966 123.195 121.223 0.010 0.000 2.404 508 L HA 0.277 4.623 4.340 0.010 0.000 0.277 508 L C -0.051 176.822 176.870 0.005 0.000 1.184 508 L CA -0.165 54.679 54.840 0.008 0.000 1.013 508 L CB -1.018 41.046 42.059 0.008 0.000 1.318 508 L HN 0.665 nan 8.230 nan 0.000 0.435 509 S N 0.896 116.598 115.700 0.004 0.000 2.615 509 S HA 0.657 5.133 4.470 0.010 0.000 0.269 509 S C -0.903 173.698 174.600 0.002 0.000 1.161 509 S CA -0.927 57.275 58.200 0.002 0.000 0.817 509 S CB 2.053 65.254 63.200 0.001 0.000 1.131 509 S HN -0.064 nan 8.310 nan 0.000 0.467 510 V N 2.687 122.601 119.914 0.000 0.000 2.357 510 V HA 0.702 4.828 4.120 0.010 0.000 0.284 510 V C -0.906 175.187 176.094 -0.001 0.000 1.018 510 V CA -0.145 62.155 62.300 -0.000 0.000 0.841 510 V CB 0.624 32.447 31.823 -0.001 0.000 0.991 510 V HN 1.098 nan 8.190 nan 0.000 0.437 511 D N 3.303 123.703 120.400 -0.000 0.000 2.825 511 D HA 0.500 5.146 4.640 0.010 0.000 0.327 511 D C -1.052 175.249 176.300 0.001 0.000 1.277 511 D CA -0.779 53.221 54.000 -0.001 0.000 0.950 511 D CB 1.063 41.861 40.800 -0.003 0.000 1.438 511 D HN 0.433 nan 8.370 nan 0.000 0.526 512 E N -0.945 119.256 120.200 0.001 0.000 2.277 512 E HA 0.486 4.842 4.350 0.010 0.000 0.266 512 E C -2.766 173.839 176.600 0.009 0.000 0.901 512 E CA -1.911 54.493 56.400 0.007 0.000 0.782 512 E CB 1.652 31.356 29.700 0.007 0.000 1.228 512 E HN 0.241 nan 8.360 nan 0.000 0.424 513 P HA 0.096 nan 4.420 nan 0.000 0.269 513 P C -0.227 177.084 177.300 0.018 0.000 1.209 513 P CA -0.513 62.610 63.100 0.038 0.000 0.776 513 P CB 0.477 32.225 31.700 0.079 0.000 0.876 514 L N 2.631 123.846 121.223 -0.013 0.000 2.461 514 L HA 0.108 4.454 4.340 0.010 0.000 0.272 514 L C 1.004 177.845 176.870 -0.048 0.000 1.197 514 L CA 0.673 55.476 54.840 -0.062 0.000 0.836 514 L CB -0.697 41.273 42.059 -0.148 0.000 1.105 514 L HN 0.353 nan 8.230 nan 0.000 0.477 515 D N 2.397 122.766 120.400 -0.052 0.000 2.422 515 D HA 0.375 5.021 4.640 0.010 0.000 0.227 515 D C -0.793 175.453 176.300 -0.089 0.000 1.190 515 D CA -0.003 53.976 54.000 -0.036 0.000 0.905 515 D CB 0.269 41.060 40.800 -0.014 0.000 1.034 515 D HN 0.254 nan 8.370 nan 0.000 0.507 516 V N 0.683 120.503 119.914 -0.157 0.000 3.040 516 V HA 0.543 4.669 4.120 0.010 0.000 0.312 516 V C -0.360 175.597 176.094 -0.230 0.000 1.115 516 V CA -1.114 61.043 62.300 -0.237 0.000 0.998 516 V CB 2.187 33.769 31.823 -0.401 0.000 1.042 516 V HN 0.170 nan 8.190 nan 0.000 0.433 517 D N 0.989 121.344 120.400 -0.074 0.000 2.380 517 D HA 0.343 4.989 4.640 0.010 0.000 0.230 517 D C 0.198 176.534 176.300 0.060 0.000 1.154 517 D CA -0.097 53.934 54.000 0.051 0.000 0.859 517 D CB 0.911 41.833 40.800 0.204 0.000 1.045 517 D HN 0.621 nan 8.370 nan 0.000 0.495 518 Y N 2.196 122.562 120.300 0.109 0.000 2.616 518 Y HA 0.022 4.578 4.550 0.010 0.000 0.296 518 Y C 2.138 177.960 175.900 -0.131 0.000 1.154 518 Y CA 0.387 58.507 58.100 0.033 0.000 1.325 518 Y CB 0.143 38.614 38.460 0.018 0.000 1.007 518 Y HN 0.268 nan 8.280 nan 0.000 0.542 519 R N -0.632 119.804 120.500 -0.107 0.000 2.316 519 R HA 0.028 4.374 4.340 0.010 0.000 0.202 519 R C -0.769 175.146 176.300 -0.641 0.000 1.029 519 R CA 0.457 56.294 56.100 -0.438 0.000 1.018 519 R CB -0.048 29.719 30.300 -0.887 0.000 0.888 519 R HN 0.116 nan 8.270 nan 0.000 0.471 520 F N 0.392 120.337 119.950 -0.009 0.000 2.520 520 F HA 0.228 4.761 4.527 0.010 0.000 0.322 520 F C 0.273 176.038 175.800 -0.059 0.000 1.103 520 F CA -1.581 56.418 58.000 -0.001 0.000 0.926 520 F CB 1.070 40.077 39.000 0.012 0.000 1.154 520 F HN -0.228 nan 8.300 nan 0.000 0.453 521 D N 2.290 122.753 120.400 0.106 0.000 2.525 521 D HA -0.057 4.590 4.640 0.010 0.000 0.235 521 D C -0.146 176.217 176.300 0.105 0.000 1.137 521 D CA 0.713 54.707 54.000 -0.009 0.000 0.868 521 D CB 0.507 41.321 40.800 0.024 0.000 1.180 521 D HN 0.081 nan 8.370 nan 0.000 0.465 522 F N 1.412 121.390 119.950 0.046 0.000 2.578 522 F HA -0.039 4.494 4.527 0.010 0.000 0.376 522 F C 1.645 177.453 175.800 0.013 0.000 1.085 522 F CA -0.850 57.160 58.000 0.017 0.000 1.260 522 F CB -0.127 38.879 39.000 0.009 0.000 1.095 522 F HN 0.074 nan 8.300 nan 0.000 0.573 523 S N 1.688 117.509 115.700 0.201 0.000 2.596 523 S HA 0.074 4.550 4.470 0.010 0.000 0.260 523 S C 0.913 175.557 174.600 0.073 0.000 1.336 523 S CA -0.686 57.571 58.200 0.096 0.000 0.993 523 S CB 0.767 63.993 63.200 0.044 0.000 0.923 523 S HN 0.555 nan 8.310 nan 0.000 0.567 524 D N 0.497 120.923 120.400 0.044 0.000 2.149 524 D HA -0.120 4.526 4.640 0.010 0.000 0.198 524 D C 1.732 178.036 176.300 0.006 0.000 0.990 524 D CA 1.457 55.474 54.000 0.029 0.000 0.839 524 D CB -0.331 40.481 40.800 0.021 0.000 0.948 524 D HN 0.830 nan 8.370 nan 0.000 0.460 525 E N 0.251 120.447 120.200 -0.007 0.000 2.047 525 E HA -0.131 4.225 4.350 0.010 0.000 0.191 525 E C 2.313 178.878 176.600 -0.058 0.000 0.987 525 E CA 0.499 56.883 56.400 -0.028 0.000 0.799 525 E CB -0.029 29.652 29.700 -0.031 0.000 0.752 525 E HN 0.228 nan 8.360 nan 0.000 0.449 526 I N 0.928 121.448 120.570 -0.083 0.000 2.179 526 I HA -0.290 3.886 4.170 0.010 0.000 0.242 526 I C 2.545 178.554 176.117 -0.179 0.000 1.088 526 I CA 1.205 62.391 61.300 -0.190 0.000 1.357 526 I CB -0.175 37.633 38.000 -0.320 0.000 1.051 526 I HN 0.040 nan 8.210 nan 0.000 0.409 527 K N 0.344 120.700 120.400 -0.074 0.000 2.063 527 K HA -0.201 4.125 4.320 0.010 0.000 0.208 527 K C 2.088 178.675 176.600 -0.022 0.000 1.048 527 K CA 1.274 57.553 56.287 -0.014 0.000 0.928 527 K CB -0.068 32.466 32.500 0.057 0.000 0.713 527 K HN 0.257 nan 8.250 nan 0.000 0.442 528 E N 0.858 121.044 120.200 -0.025 0.000 2.072 528 E HA -0.159 4.197 4.350 0.010 0.000 0.191 528 E C 1.820 178.400 176.600 -0.032 0.000 0.985 528 E CA 1.231 57.619 56.400 -0.020 0.000 0.801 528 E CB 0.006 29.697 29.700 -0.016 0.000 0.750 528 E HN 0.299 nan 8.360 nan 0.000 0.452 529 K N 0.403 120.769 120.400 -0.056 0.000 2.097 529 K HA -0.015 4.311 4.320 0.010 0.000 0.205 529 K C 2.318 178.880 176.600 -0.063 0.000 1.050 529 K CA 0.660 56.910 56.287 -0.062 0.000 0.938 529 K CB -0.112 32.338 32.500 -0.083 0.000 0.718 529 K HN 0.091 nan 8.250 nan 0.000 0.442 530 I N 1.518 122.038 120.570 -0.083 0.000 2.286 530 I HA -0.284 3.893 4.170 0.010 0.000 0.248 530 I C 1.871 177.974 176.117 -0.023 0.000 1.115 530 I CA 1.358 62.619 61.300 -0.065 0.000 1.392 530 I CB -0.087 37.864 38.000 -0.081 0.000 1.065 530 I HN 0.114 nan 8.210 nan 0.000 0.418 531 K N 0.607 120.999 120.400 -0.014 0.000 2.442 531 K HA -0.114 4.212 4.320 0.010 0.000 0.198 531 K C 1.414 178.014 176.600 0.001 0.000 1.042 531 K CA 0.818 57.106 56.287 0.002 0.000 0.958 531 K CB 0.043 32.548 32.500 0.008 0.000 0.766 531 K HN 0.334 nan 8.250 nan 0.000 0.474 532 K N 0.190 120.585 120.400 -0.008 0.000 2.358 532 K HA 0.186 4.512 4.320 0.010 0.000 0.200 532 K C 0.129 176.726 176.600 -0.005 0.000 1.030 532 K CA -0.123 56.161 56.287 -0.005 0.000 1.097 532 K CB 0.512 33.007 32.500 -0.010 0.000 0.862 532 K HN 0.003 nan 8.250 nan 0.000 0.534 533 L N 1.819 123.038 121.223 -0.007 0.000 2.418 533 L HA 0.131 4.477 4.340 0.010 0.000 0.265 533 L C 0.839 177.711 176.870 0.004 0.000 1.143 533 L CA -0.533 54.305 54.840 -0.004 0.000 0.809 533 L CB 1.131 43.185 42.059 -0.007 0.000 1.124 533 L HN 0.108 nan 8.230 nan 0.000 0.456 534 S N 0.972 116.675 115.700 0.005 0.000 2.600 534 S HA 0.220 4.696 4.470 0.010 0.000 0.265 534 S C 1.050 175.657 174.600 0.012 0.000 1.325 534 S CA -0.146 58.059 58.200 0.008 0.000 1.002 534 S CB 1.378 64.581 63.200 0.006 0.000 0.921 534 S HN 0.703 nan 8.310 nan 0.000 0.554 535 A N 1.481 124.309 122.820 0.013 0.000 1.933 535 A HA -0.114 4.212 4.320 0.010 0.000 0.218 535 A C 2.174 179.766 177.584 0.013 0.000 1.175 535 A CA 1.830 53.876 52.037 0.015 0.000 0.628 535 A CB -0.939 18.071 19.000 0.016 0.000 0.814 535 A HN 0.970 nan 8.150 nan 0.000 0.444 536 K N -0.296 120.108 120.400 0.008 0.000 2.026 536 K HA -0.126 4.200 4.320 0.010 0.000 0.208 536 K C 2.205 178.811 176.600 0.010 0.000 1.048 536 K CA 1.734 58.023 56.287 0.003 0.000 0.929 536 K CB -0.213 32.286 32.500 -0.002 0.000 0.713 536 K HN 0.408 nan 8.250 nan 0.000 0.439 537 S N 1.018 116.726 115.700 0.015 0.000 2.368 537 S HA -0.047 4.429 4.470 0.010 0.000 0.224 537 S C 1.849 176.473 174.600 0.041 0.000 1.029 537 S CA 1.019 59.234 58.200 0.024 0.000 0.988 537 S CB -0.178 63.032 63.200 0.016 0.000 0.838 537 S HN 0.239 nan 8.310 nan 0.000 0.462 538 L N 1.452 122.696 121.223 0.035 0.000 2.046 538 L HA -0.161 4.185 4.340 0.010 0.000 0.208 538 L C 2.058 178.965 176.870 0.061 0.000 1.077 538 L CA 1.311 56.180 54.840 0.048 0.000 0.747 538 L CB -0.713 41.365 42.059 0.032 0.000 0.896 538 L HN 0.327 nan 8.230 nan 0.000 0.432 539 N N -0.611 118.116 118.700 0.044 0.000 2.166 539 N HA -0.232 4.514 4.740 0.010 0.000 0.186 539 N C 1.791 177.344 175.510 0.073 0.000 1.019 539 N CA 0.946 54.025 53.050 0.047 0.000 0.856 539 N CB 0.007 38.506 38.487 0.020 0.000 0.993 539 N HN 0.235 nan 8.380 nan 0.000 0.426 540 E N 0.996 121.232 120.200 0.061 0.000 2.072 540 E HA -0.080 4.276 4.350 0.010 0.000 0.191 540 E C 1.771 178.461 176.600 0.149 0.000 0.985 540 E CA 1.259 57.710 56.400 0.086 0.000 0.801 540 E CB -0.049 29.683 29.700 0.052 0.000 0.750 540 E HN 0.322 nan 8.360 nan 0.000 0.452 541 M N -0.437 119.249 119.600 0.144 0.000 2.159 541 M HA -0.115 4.371 4.480 0.010 0.000 0.263 541 M C 2.110 178.471 176.300 0.101 0.000 1.063 541 M CA 0.954 56.378 55.300 0.206 0.000 1.110 541 M CB -0.258 32.493 32.600 0.252 0.000 1.374 541 M HN 0.228 nan 8.290 nan 0.000 0.411 542 L N 0.118 121.400 121.223 0.098 0.000 2.017 542 L HA -0.168 4.178 4.340 0.010 0.000 0.208 542 L C 2.207 179.071 176.870 -0.010 0.000 1.073 542 L CA 1.825 56.694 54.840 0.047 0.000 0.745 542 L CB -0.928 41.166 42.059 0.060 0.000 0.894 542 L HN 0.195 nan 8.230 nan 0.000 0.432 543 F N 0.500 120.395 119.950 -0.091 0.000 2.095 543 F HA -0.260 4.273 4.527 0.010 0.000 0.298 543 F C 2.554 178.246 175.800 -0.180 0.000 1.104 543 F CA 1.909 59.843 58.000 -0.110 0.000 1.232 543 F CB -0.236 38.718 39.000 -0.076 0.000 0.987 543 F HN 0.037 nan 8.300 nan 0.000 0.475 544 R N 0.002 120.398 120.500 -0.173 0.000 2.092 544 R HA -0.073 4.273 4.340 0.010 0.000 0.231 544 R C 2.479 178.283 176.300 -0.827 0.000 1.119 544 R CA 1.080 56.918 56.100 -0.437 0.000 0.970 544 R CB -0.803 29.332 30.300 -0.275 0.000 0.864 544 R HN 0.398 nan 8.270 nan 0.000 0.440 545 A N 1.166 123.427 122.820 -0.931 0.000 1.902 545 A HA -0.220 4.106 4.320 0.010 0.000 0.217 545 A C 2.037 179.402 177.584 -0.366 0.000 1.181 545 A CA 1.260 52.883 52.037 -0.691 0.000 0.623 545 A CB -0.377 18.467 19.000 -0.261 0.000 0.818 545 A HN 0.313 nan 8.150 nan 0.000 0.443 546 Q N -1.118 118.485 119.800 -0.328 0.000 2.119 546 Q HA -0.110 4.236 4.340 0.010 0.000 0.201 546 Q C 2.317 178.119 176.000 -0.330 0.000 0.972 546 Q CA 0.950 56.588 55.803 -0.275 0.000 0.847 546 Q CB -0.104 28.489 28.738 -0.241 0.000 0.903 546 Q HN 0.396 nan 8.270 nan 0.000 0.433 547 R N -0.147 120.069 120.500 -0.473 0.000 2.092 547 R HA -0.048 4.298 4.340 0.010 0.000 0.231 547 R C 2.153 178.300 176.300 -0.255 0.000 1.119 547 R CA 1.352 57.204 56.100 -0.413 0.000 0.970 547 R CB -0.850 29.140 30.300 -0.516 0.000 0.864 547 R HN 0.282 nan 8.270 nan 0.000 0.440 548 T N 0.870 115.277 114.554 -0.244 0.000 2.821 548 T HA -0.134 4.222 4.350 0.010 0.000 0.267 548 T C 1.700 176.336 174.700 -0.107 0.000 1.046 548 T CA 1.258 63.274 62.100 -0.140 0.000 1.139 548 T CB -0.041 68.775 68.868 -0.087 0.000 0.871 548 T HN 0.399 nan 8.240 nan 0.000 0.454 549 E N 0.579 120.703 120.200 -0.126 0.000 2.077 549 E HA -0.126 4.230 4.350 0.010 0.000 0.193 549 E C 2.228 178.783 176.600 -0.076 0.000 0.989 549 E CA 0.983 57.330 56.400 -0.088 0.000 0.800 549 E CB -0.063 29.582 29.700 -0.091 0.000 0.746 549 E HN 0.259 nan 8.360 nan 0.000 0.452 550 V N 1.324 121.177 119.914 -0.102 0.000 2.332 550 V HA -0.289 3.837 4.120 0.010 0.000 0.248 550 V C 2.477 178.529 176.094 -0.070 0.000 1.055 550 V CA 1.865 64.117 62.300 -0.081 0.000 1.038 550 V CB -0.832 30.926 31.823 -0.108 0.000 0.651 550 V HN 0.420 nan 8.190 nan 0.000 0.450 551 A N 0.532 123.301 122.820 -0.085 0.000 1.877 551 A HA -0.098 4.228 4.320 0.010 0.000 0.216 551 A C 2.441 180.001 177.584 -0.040 0.000 1.186 551 A CA 1.981 53.976 52.037 -0.071 0.000 0.620 551 A CB -1.280 17.678 19.000 -0.070 0.000 0.822 551 A HN 0.529 nan 8.150 nan 0.000 0.443 552 G N -0.705 108.090 108.800 -0.010 0.000 2.422 552 G HA2 -0.224 3.742 3.960 0.010 0.000 0.218 552 G HA3 -0.224 3.742 3.960 0.010 0.000 0.218 552 G C 1.527 176.423 174.900 -0.005 0.000 1.146 552 G CA 1.613 46.737 45.100 0.041 0.000 0.769 552 G HN 0.477 nan 8.290 nan 0.000 0.547 553 M N 1.089 120.675 119.600 -0.024 0.000 2.086 553 M HA -0.007 4.479 4.480 0.010 0.000 0.261 553 M C 2.529 178.817 176.300 -0.021 0.000 1.067 553 M CA 2.200 57.481 55.300 -0.031 0.000 1.116 553 M CB -0.991 31.595 32.600 -0.022 0.000 1.348 553 M HN 0.109 nan 8.290 nan 0.000 0.407 554 T N 0.870 115.431 114.554 0.012 0.000 2.635 554 T HA -0.155 4.201 4.350 0.010 0.000 0.267 554 T C 1.808 176.488 174.700 -0.033 0.000 1.040 554 T CA 1.998 64.142 62.100 0.073 0.000 1.156 554 T CB -0.848 68.069 68.868 0.081 0.000 0.863 554 T HN 0.589 nan 8.240 nan 0.000 0.430 555 A N 1.636 124.377 122.820 -0.132 0.000 1.902 555 A HA -0.195 4.131 4.320 0.010 0.000 0.217 555 A C 2.278 179.723 177.584 -0.232 0.000 1.181 555 A CA 2.118 53.967 52.037 -0.312 0.000 0.623 555 A CB -0.643 17.963 19.000 -0.656 0.000 0.818 555 A HN 0.683 nan 8.150 nan 0.000 0.443 556 Q N -0.513 119.218 119.800 -0.116 0.000 2.123 556 Q HA 0.124 4.470 4.340 0.010 0.000 0.196 556 Q C 1.842 177.792 176.000 -0.084 0.000 0.958 556 Q CA 1.599 57.359 55.803 -0.071 0.000 0.841 556 Q CB -0.594 28.118 28.738 -0.044 0.000 0.915 556 Q HN 0.531 nan 8.270 nan 0.000 0.455 557 I N 0.355 120.858 120.570 -0.112 0.000 2.546 557 I HA -0.136 4.040 4.170 0.010 0.000 0.255 557 I C 1.067 177.129 176.117 -0.092 0.000 1.163 557 I CA 0.804 61.985 61.300 -0.197 0.000 1.457 557 I CB 0.026 37.782 38.000 -0.407 0.000 1.092 557 I HN 0.314 nan 8.210 nan 0.000 0.434 558 N N 0.532 119.225 118.700 -0.012 0.000 2.415 558 N HA -0.017 4.729 4.740 0.010 0.000 0.176 558 N C 1.722 177.225 175.510 -0.012 0.000 1.042 558 N CA 0.494 53.572 53.050 0.047 0.000 0.902 558 N CB 0.060 38.500 38.487 -0.079 0.000 0.986 558 N HN 0.383 nan 8.380 nan 0.000 0.447 559 R N 1.208 121.680 120.500 -0.047 0.000 2.093 559 R HA 0.020 4.366 4.340 0.010 0.000 0.224 559 R C 2.172 178.508 176.300 0.060 0.000 1.101 559 R CA 0.777 56.862 56.100 -0.024 0.000 0.979 559 R CB -0.011 30.253 30.300 -0.060 0.000 0.877 559 R HN 0.147 nan 8.270 nan 0.000 0.441 560 K N 1.040 121.468 120.400 0.047 0.000 2.032 560 K HA -0.197 4.130 4.320 0.010 0.000 0.209 560 K C 2.030 178.704 176.600 0.123 0.000 1.048 560 K CA 1.354 57.690 56.287 0.081 0.000 0.927 560 K CB -0.163 32.349 32.500 0.020 0.000 0.712 560 K HN 0.034 nan 8.250 nan 0.000 0.441 561 L N 1.535 122.846 121.223 0.147 0.000 2.012 561 L HA -0.171 4.175 4.340 0.010 0.000 0.210 561 L C 2.230 179.231 176.870 0.219 0.000 1.073 561 L CA 1.440 56.418 54.840 0.229 0.000 0.748 561 L CB -0.719 41.559 42.059 0.365 0.000 0.891 561 L HN 0.328 nan 8.230 nan 0.000 0.431 562 L N -0.087 121.259 121.223 0.206 0.000 2.017 562 L HA -0.191 4.156 4.340 0.010 0.000 0.208 562 L C 2.423 179.602 176.870 0.516 0.000 1.073 562 L CA 2.307 57.321 54.840 0.290 0.000 0.745 562 L CB -0.675 41.455 42.059 0.118 0.000 0.894 562 L HN 0.506 nan 8.230 nan 0.000 0.432 563 I N -3.166 117.644 120.570 0.401 0.000 2.315 563 I HA -0.168 4.008 4.170 0.010 0.000 0.248 563 I C 1.912 178.116 176.117 0.146 0.000 1.117 563 I CA 1.490 62.991 61.300 0.335 0.000 1.404 563 I CB -0.838 37.326 38.000 0.273 0.000 1.071 563 I HN 0.213 nan 8.210 nan 0.000 0.419 564 N N 1.495 120.284 118.700 0.148 0.000 2.309 564 N HA -0.097 4.649 4.740 0.010 0.000 0.182 564 N C 1.953 177.525 175.510 0.103 0.000 1.018 564 N CA 1.483 54.595 53.050 0.104 0.000 0.876 564 N CB -0.287 38.246 38.487 0.077 0.000 0.972 564 N HN 0.403 nan 8.380 nan 0.000 0.434 565 S N 0.639 116.425 115.700 0.143 0.000 2.461 565 S HA 0.016 4.492 4.470 0.010 0.000 0.228 565 S C 1.766 176.368 174.600 0.005 0.000 1.005 565 S CA 0.028 58.301 58.200 0.121 0.000 0.942 565 S CB -0.019 63.297 63.200 0.193 0.000 0.776 565 S HN 0.197 nan 8.310 nan 0.000 0.514 566 L N 2.295 123.445 121.223 -0.122 0.000 2.056 566 L HA 0.081 4.427 4.340 0.010 0.000 0.207 566 L C 2.330 179.020 176.870 -0.301 0.000 1.078 566 L CA 1.795 56.312 54.840 -0.539 0.000 0.749 566 L CB -1.132 40.222 42.059 -1.175 0.000 0.901 566 L HN 0.230 nan 8.230 nan 0.000 0.433 567 A N -0.473 122.263 122.820 -0.140 0.000 1.908 567 A HA -0.094 4.232 4.320 0.010 0.000 0.218 567 A C 2.337 179.944 177.584 0.038 0.000 1.181 567 A CA 1.633 53.651 52.037 -0.031 0.000 0.627 567 A CB -1.595 17.477 19.000 0.119 0.000 0.818 567 A HN 0.532 nan 8.150 nan 0.000 0.445 568 G N -0.651 108.193 108.800 0.073 0.000 2.422 568 G HA2 0.031 3.997 3.960 0.010 0.000 0.218 568 G HA3 0.031 3.997 3.960 0.010 0.000 0.218 568 G C 1.707 176.648 174.900 0.067 0.000 1.146 568 G CA 1.321 46.491 45.100 0.117 0.000 0.769 568 G HN 0.819 nan 8.290 nan 0.000 0.547 569 A N 0.618 123.381 122.820 -0.096 0.000 1.972 569 A HA 0.105 4.432 4.320 0.010 0.000 0.219 569 A C 2.349 179.931 177.584 -0.002 0.000 1.169 569 A CA 1.066 52.947 52.037 -0.261 0.000 0.635 569 A CB -0.350 18.099 19.000 -0.919 0.000 0.810 569 A HN 0.365 nan 8.150 nan 0.000 0.446 570 L N -0.878 120.387 121.223 0.070 0.000 2.261 570 L HA -0.122 4.224 4.340 0.010 0.000 0.216 570 L C 2.245 179.140 176.870 0.042 0.000 1.114 570 L CA 0.904 55.845 54.840 0.169 0.000 0.777 570 L CB -0.304 41.760 42.059 0.009 0.000 0.910 570 L HN 0.491 nan 8.230 nan 0.000 0.440 571 G N -1.295 107.573 108.800 0.112 0.000 3.337 571 G HA2 -0.042 3.924 3.960 0.010 0.000 0.246 571 G HA3 -0.042 3.924 3.960 0.010 0.000 0.246 571 G C 0.202 175.382 174.900 0.468 0.000 1.131 571 G CA -0.264 44.956 45.100 0.200 0.000 0.773 571 G HN 0.152 nan 8.290 nan 0.000 0.544 572 N N 1.088 120.050 118.700 0.435 0.000 2.408 572 N HA 0.112 4.858 4.740 0.010 0.000 0.280 572 N C 1.606 177.192 175.510 0.126 0.000 1.002 572 N CA -0.364 52.860 53.050 0.291 0.000 0.907 572 N CB 2.300 40.935 38.487 0.246 0.000 1.161 572 N HN -0.037 nan 8.380 nan 0.000 0.488 573 V N 1.998 121.710 119.914 -0.336 0.000 2.867 573 V HA -0.064 4.062 4.120 0.010 0.000 0.260 573 V C 1.182 177.000 176.094 -0.461 0.000 1.099 573 V CA 0.996 62.784 62.300 -0.852 0.000 1.122 573 V CB -0.901 30.412 31.823 -0.850 0.000 0.708 573 V HN 0.650 nan 8.190 nan 0.000 0.490 574 W N -1.381 119.925 121.300 0.010 0.000 3.003 574 W HA 0.398 5.064 4.660 0.011 0.000 0.257 574 W C 0.963 177.595 176.519 0.189 0.000 1.308 574 W CA -0.778 56.612 57.345 0.075 0.000 1.529 574 W CB -0.032 29.461 29.460 0.056 0.000 1.115 574 W HN 0.156 nan 8.180 nan 0.000 0.659 575 F N 2.271 122.358 119.950 0.229 0.000 2.495 575 F HA 0.143 4.676 4.527 0.010 0.000 0.365 575 F C 1.865 177.737 175.800 0.120 0.000 1.090 575 F CA -1.003 57.120 58.000 0.204 0.000 1.235 575 F CB 0.705 39.848 39.000 0.239 0.000 1.119 575 F HN -0.182 nan 8.300 nan 0.000 0.562 576 R N 3.505 123.790 120.500 -0.358 0.000 2.139 576 R HA -0.204 4.142 4.340 0.010 0.000 0.243 576 R C 0.433 176.212 176.300 -0.867 0.000 1.145 576 R CA 1.840 57.544 56.100 -0.660 0.000 0.976 576 R CB -0.232 29.508 30.300 -0.934 0.000 0.866 576 R HN 0.727 nan 8.270 nan 0.000 0.449 577 Y N -1.340 118.470 120.300 -0.817 0.000 2.708 577 Y HA 0.106 4.663 4.550 0.010 0.000 0.287 577 Y C -0.477 175.361 175.900 -0.104 0.000 1.145 577 Y CA -0.962 56.863 58.100 -0.457 0.000 1.249 577 Y CB -0.235 37.912 38.460 -0.521 0.000 1.152 577 Y HN 0.026 nan 8.280 nan 0.000 0.532 578 Y N 2.654 122.936 120.300 -0.030 0.000 2.805 578 Y HA 0.090 4.647 4.550 0.011 0.000 0.331 578 Y C -0.132 175.673 175.900 -0.158 0.000 1.241 578 Y CA 0.537 58.620 58.100 -0.028 0.000 1.546 578 Y CB 0.332 38.680 38.460 -0.186 0.000 1.248 578 Y HN 0.193 nan 8.280 nan 0.000 0.559 579 D N 6.585 126.548 120.400 -0.729 0.000 2.419 579 D HA 0.073 4.720 4.640 0.010 0.000 0.219 579 D C 0.006 175.902 176.300 -0.673 0.000 1.349 579 D CA -0.387 53.224 54.000 -0.648 0.000 0.964 579 D CB 0.776 41.420 40.800 -0.261 0.000 1.463 579 D HN 0.751 nan 8.370 nan 0.000 0.573 580 L N 2.592 123.352 121.223 -0.772 0.000 2.265 580 L HA -0.044 4.302 4.340 0.010 0.000 0.215 580 L C 2.344 178.981 176.870 -0.389 0.000 1.117 580 L CA 0.733 55.209 54.840 -0.608 0.000 0.782 580 L CB -0.024 41.762 42.059 -0.454 0.000 0.914 580 L HN 0.224 nan 8.230 nan 0.000 0.441 581 R N -0.168 120.154 120.500 -0.296 0.000 2.075 581 R HA -0.105 4.241 4.340 0.010 0.000 0.232 581 R C 1.984 178.196 176.300 -0.147 0.000 1.126 581 R CA 1.281 57.261 56.100 -0.199 0.000 0.963 581 R CB -0.242 29.950 30.300 -0.179 0.000 0.858 581 R HN 0.397 nan 8.270 nan 0.000 0.435 582 N N 0.617 119.224 118.700 -0.156 0.000 2.207 582 N HA -0.033 4.713 4.740 0.010 0.000 0.182 582 N C 1.646 177.044 175.510 -0.188 0.000 1.020 582 N CA 1.262 54.249 53.050 -0.105 0.000 0.858 582 N CB -0.310 38.127 38.487 -0.084 0.000 0.991 582 N HN 0.164 nan 8.380 nan 0.000 0.427 583 A N 0.683 123.335 122.820 -0.281 0.000 1.883 583 A HA -0.168 4.158 4.320 0.010 0.000 0.217 583 A C 2.344 179.790 177.584 -0.230 0.000 1.186 583 A CA 2.521 54.369 52.037 -0.316 0.000 0.624 583 A CB -1.233 17.393 19.000 -0.624 0.000 0.822 583 A HN 0.507 nan 8.150 nan 0.000 0.444 584 T N -2.663 111.749 114.554 -0.237 0.000 2.985 584 T HA 0.239 4.595 4.350 0.010 0.000 0.266 584 T C 1.885 176.546 174.700 -0.064 0.000 1.076 584 T CA 1.322 63.375 62.100 -0.078 0.000 1.135 584 T CB -0.415 68.419 68.868 -0.057 0.000 0.890 584 T HN 0.555 nan 8.240 nan 0.000 0.480 585 A N 1.728 124.496 122.820 -0.086 0.000 1.908 585 A HA 0.076 4.402 4.320 0.010 0.000 0.218 585 A C 2.302 179.830 177.584 -0.093 0.000 1.181 585 A CA 1.453 53.464 52.037 -0.043 0.000 0.627 585 A CB -0.825 18.191 19.000 0.027 0.000 0.818 585 A HN 0.598 nan 8.150 nan 0.000 0.445 586 I N 0.019 120.467 120.570 -0.203 0.000 2.163 586 I HA -0.226 3.950 4.170 0.010 0.000 0.240 586 I C 2.925 178.830 176.117 -0.354 0.000 1.081 586 I CA 1.874 62.964 61.300 -0.350 0.000 1.353 586 I CB -0.668 37.040 38.000 -0.487 0.000 1.054 586 I HN 0.530 nan 8.210 nan 0.000 0.407 587 T N -2.362 112.030 114.554 -0.270 0.000 2.821 587 T HA -0.135 4.221 4.350 0.010 0.000 0.267 587 T C 1.817 176.535 174.700 0.029 0.000 1.046 587 T CA 1.843 63.866 62.100 -0.128 0.000 1.139 587 T CB -0.892 68.025 68.868 0.082 0.000 0.871 587 T HN 0.233 nan 8.240 nan 0.000 0.454 588 T N 1.213 115.790 114.554 0.039 0.000 2.777 588 T HA 0.080 4.436 4.350 0.010 0.000 0.266 588 T C 1.358 176.099 174.700 0.068 0.000 1.040 588 T CA 1.014 63.151 62.100 0.062 0.000 1.141 588 T CB -0.641 68.250 68.868 0.038 0.000 0.868 588 T HN 0.378 nan 8.240 nan 0.000 0.444 589 F N 2.166 122.066 119.950 -0.083 0.000 2.126 589 F HA -0.022 4.511 4.527 0.010 0.000 0.299 589 F C 2.381 178.157 175.800 -0.040 0.000 1.096 589 F CA 1.309 59.254 58.000 -0.091 0.000 1.255 589 F CB -0.733 38.179 39.000 -0.147 0.000 0.997 589 F HN 0.185 nan 8.300 nan 0.000 0.479 590 G N -0.717 108.211 108.800 0.214 0.000 2.418 590 G HA2 -0.240 3.726 3.960 0.010 0.000 0.217 590 G HA3 -0.240 3.726 3.960 0.010 0.000 0.217 590 G C 1.508 176.516 174.900 0.181 0.000 1.158 590 G CA 0.694 45.930 45.100 0.226 0.000 0.771 590 G HN 0.415 nan 8.290 nan 0.000 0.545 591 Q N -0.680 119.212 119.800 0.153 0.000 2.096 591 Q HA -0.100 4.246 4.340 0.010 0.000 0.204 591 Q C 2.473 178.492 176.000 0.033 0.000 0.982 591 Q CA 1.423 57.309 55.803 0.138 0.000 0.850 591 Q CB -0.259 28.561 28.738 0.136 0.000 0.901 591 Q HN 0.580 nan 8.270 nan 0.000 0.422 592 M N 0.198 119.789 119.600 -0.015 0.000 2.086 592 M HA -0.172 4.314 4.480 0.010 0.000 0.261 592 M C 2.155 178.466 176.300 0.017 0.000 1.067 592 M CA 1.775 57.051 55.300 -0.039 0.000 1.116 592 M CB -0.172 32.325 32.600 -0.172 0.000 1.348 592 M HN 0.200 nan 8.290 nan 0.000 0.407 593 A N 0.547 123.339 122.820 -0.046 0.000 1.908 593 A HA -0.211 4.115 4.320 0.010 0.000 0.218 593 A C 2.019 179.806 177.584 0.338 0.000 1.181 593 A CA 1.858 53.987 52.037 0.153 0.000 0.627 593 A CB -1.103 17.965 19.000 0.114 0.000 0.818 593 A HN 0.614 nan 8.150 nan 0.000 0.445 594 L N -0.229 121.138 121.223 0.240 0.000 2.017 594 L HA -0.189 4.157 4.340 0.010 0.000 0.208 594 L C 2.483 179.443 176.870 0.149 0.000 1.073 594 L CA 2.442 57.422 54.840 0.233 0.000 0.745 594 L CB -0.704 41.503 42.059 0.247 0.000 0.894 594 L HN 0.521 nan 8.230 nan 0.000 0.432 595 Q N -1.552 118.277 119.800 0.049 0.000 2.172 595 Q HA -0.214 4.132 4.340 0.010 0.000 0.200 595 Q C 1.958 177.981 176.000 0.038 0.000 0.964 595 Q CA 1.420 57.194 55.803 -0.047 0.000 0.855 595 Q CB -0.483 28.102 28.738 -0.255 0.000 0.918 595 Q HN 0.716 nan 8.270 nan 0.000 0.444 596 W N 1.278 122.533 121.300 -0.075 0.000 2.332 596 W HA -0.216 4.450 4.660 0.010 0.000 0.321 596 W C 1.754 178.171 176.519 -0.171 0.000 1.219 596 W CA 1.109 58.398 57.345 -0.093 0.000 1.277 596 W CB -0.325 29.096 29.460 -0.064 0.000 1.161 596 W HN 0.149 nan 8.180 nan 0.000 0.476 597 I N 1.596 122.230 120.570 0.107 0.000 2.493 597 I HA -0.229 3.947 4.170 0.010 0.000 0.254 597 I C 2.546 178.589 176.117 -0.122 0.000 1.160 597 I CA 1.924 63.129 61.300 -0.159 0.000 1.445 597 I CB -0.821 36.971 38.000 -0.347 0.000 1.086 597 I HN 0.120 nan 8.210 nan 0.000 0.433 598 E N 0.453 120.631 120.200 -0.037 0.000 2.058 598 E HA -0.315 4.041 4.350 0.010 0.000 0.194 598 E C 2.478 179.036 176.600 -0.071 0.000 0.997 598 E CA 1.316 57.702 56.400 -0.023 0.000 0.801 598 E CB -0.210 29.504 29.700 0.024 0.000 0.746 598 E HN 0.437 nan 8.360 nan 0.000 0.450 599 R N 0.296 120.715 120.500 -0.134 0.000 2.073 599 R HA -0.138 4.208 4.340 0.010 0.000 0.234 599 R C 2.263 178.431 176.300 -0.220 0.000 1.134 599 R CA 1.523 57.511 56.100 -0.186 0.000 0.952 599 R CB 0.027 30.162 30.300 -0.276 0.000 0.850 599 R HN -0.010 nan 8.270 nan 0.000 0.433 600 K N 0.175 120.392 120.400 -0.304 0.000 2.057 600 K HA -0.085 4.241 4.320 0.010 0.000 0.207 600 K C 2.087 178.591 176.600 -0.160 0.000 1.049 600 K CA 1.183 57.306 56.287 -0.272 0.000 0.931 600 K CB -0.375 31.929 32.500 -0.326 0.000 0.714 600 K HN 0.130 nan 8.250 nan 0.000 0.440 601 V N 2.366 122.191 119.914 -0.149 0.000 2.358 601 V HA -0.215 3.911 4.120 0.010 0.000 0.246 601 V C 2.004 178.068 176.094 -0.050 0.000 1.047 601 V CA 1.537 63.775 62.300 -0.104 0.000 1.035 601 V CB -0.515 31.233 31.823 -0.125 0.000 0.658 601 V HN 0.282 nan 8.190 nan 0.000 0.452 602 N N 0.298 118.987 118.700 -0.018 0.000 2.104 602 N HA -0.184 4.562 4.740 0.010 0.000 0.190 602 N C 1.851 177.356 175.510 -0.008 0.000 1.024 602 N CA 1.586 54.667 53.050 0.052 0.000 0.853 602 N CB -0.252 38.285 38.487 0.083 0.000 1.008 602 N HN 0.601 nan 8.380 nan 0.000 0.424 603 E N -0.652 119.520 120.200 -0.047 0.000 2.072 603 E HA -0.191 4.165 4.350 0.010 0.000 0.191 603 E C 1.694 178.255 176.600 -0.065 0.000 0.985 603 E CA 0.739 57.104 56.400 -0.060 0.000 0.801 603 E CB -0.185 29.461 29.700 -0.090 0.000 0.750 603 E HN 0.479 nan 8.360 nan 0.000 0.452 604 Y N 1.140 121.333 120.300 -0.178 0.000 2.163 604 Y HA -0.158 4.398 4.550 0.010 0.000 0.288 604 Y C 1.923 177.689 175.900 -0.223 0.000 1.136 604 Y CA 1.289 59.279 58.100 -0.182 0.000 1.147 604 Y CB 0.029 38.373 38.460 -0.193 0.000 0.987 604 Y HN -0.070 nan 8.280 nan 0.000 0.509 605 L N 0.165 121.133 121.223 -0.426 0.000 2.156 605 L HA -0.179 4.167 4.340 0.010 0.000 0.208 605 L C 2.200 178.629 176.870 -0.735 0.000 1.095 605 L CA 0.782 55.141 54.840 -0.800 0.000 0.770 605 L CB -0.591 40.673 42.059 -1.325 0.000 0.914 605 L HN 0.305 nan 8.230 nan 0.000 0.439 606 N N 0.164 118.638 118.700 -0.377 0.000 2.166 606 N HA -0.243 4.504 4.740 0.010 0.000 0.186 606 N C 1.768 177.230 175.510 -0.081 0.000 1.019 606 N CA 1.434 54.481 53.050 -0.006 0.000 0.856 606 N CB 0.039 38.581 38.487 0.091 0.000 0.993 606 N HN 0.471 nan 8.380 nan 0.000 0.426 607 E N 1.116 121.210 120.200 -0.177 0.000 2.028 607 E HA -0.139 4.217 4.350 0.010 0.000 0.191 607 E C 2.025 178.507 176.600 -0.196 0.000 0.988 607 E CA 1.587 57.884 56.400 -0.171 0.000 0.799 607 E CB 0.046 29.631 29.700 -0.192 0.000 0.755 607 E HN 0.183 nan 8.360 nan 0.000 0.447 608 V N -0.552 119.164 119.914 -0.330 0.000 2.594 608 V HA -0.170 3.956 4.120 0.010 0.000 0.253 608 V C 2.064 178.096 176.094 -0.104 0.000 1.069 608 V CA 1.571 63.725 62.300 -0.242 0.000 1.082 608 V CB -0.664 30.968 31.823 -0.318 0.000 0.680 608 V HN 0.401 nan 8.190 nan 0.000 0.469 609 C N 1.143 120.396 119.300 -0.078 0.000 2.799 609 C HA 0.616 5.082 4.460 0.010 0.000 0.267 609 C C 1.919 176.928 174.990 0.032 0.000 1.257 609 C CA 0.068 59.103 59.018 0.028 0.000 1.702 609 C CB -1.103 26.737 27.740 0.167 0.000 1.934 609 C HN 1.030 nan 8.230 nan 0.000 0.594 610 G N 2.629 111.429 108.800 -0.001 0.000 2.295 610 G HA2 -0.201 3.765 3.960 0.010 0.000 0.287 610 G HA3 -0.201 3.765 3.960 0.010 0.000 0.287 610 G C 0.081 174.995 174.900 0.023 0.000 1.055 610 G CA 0.732 45.833 45.100 0.002 0.000 0.922 610 G HN 0.632 nan 8.290 nan 0.000 0.503 611 T N -3.368 111.215 114.554 0.048 0.000 2.762 611 T HA 0.825 5.181 4.350 0.010 0.000 0.272 611 T C -0.517 174.213 174.700 0.050 0.000 0.982 611 T CA -0.732 61.403 62.100 0.058 0.000 1.013 611 T CB 2.833 71.758 68.868 0.096 0.000 1.309 611 T HN 0.223 nan 8.240 nan 0.000 0.572 612 E N -0.778 119.449 120.200 0.044 0.000 2.278 612 E HA 0.489 4.845 4.350 0.010 0.000 0.272 612 E C 0.246 176.864 176.600 0.030 0.000 0.890 612 E CA -0.505 55.913 56.400 0.031 0.000 0.770 612 E CB 1.549 31.255 29.700 0.010 0.000 1.212 612 E HN 1.183 nan 8.360 nan 0.000 0.415 613 G N 2.790 111.613 108.800 0.037 0.000 2.168 613 G HA2 -0.308 3.658 3.960 0.010 0.000 0.263 613 G HA3 -0.308 3.658 3.960 0.010 0.000 0.263 613 G C 0.199 175.115 174.900 0.025 0.000 0.977 613 G CA 0.693 45.809 45.100 0.026 0.000 0.659 613 G HN 0.454 nan 8.290 nan 0.000 0.533 614 E N 0.604 120.830 120.200 0.043 0.000 2.344 614 E HA 0.593 4.949 4.350 0.010 0.000 0.270 614 E C 0.630 177.213 176.600 -0.028 0.000 1.021 614 E CA 0.630 56.999 56.400 -0.051 0.000 0.887 614 E CB 0.738 30.351 29.700 -0.145 0.000 0.997 614 E HN 0.789 nan 8.360 nan 0.000 0.429 615 A N 4.928 127.688 122.820 -0.101 0.000 2.343 615 A HA 0.272 4.598 4.320 0.010 0.000 0.305 615 A C -0.117 177.405 177.584 -0.104 0.000 1.308 615 A CA -0.265 51.757 52.037 -0.024 0.000 0.949 615 A CB -0.264 18.731 19.000 -0.008 0.000 1.148 615 A HN 0.779 nan 8.150 nan 0.000 0.545 616 F N 2.203 122.172 119.950 0.033 0.000 2.317 616 F HA 0.050 4.583 4.527 0.010 0.000 0.293 616 F C 1.086 176.911 175.800 0.042 0.000 1.085 616 F CA 0.523 58.554 58.000 0.052 0.000 1.390 616 F CB 0.249 39.288 39.000 0.065 0.000 1.077 616 F HN 0.280 nan 8.300 nan 0.000 0.517 617 V N 3.533 123.573 119.914 0.209 0.000 2.415 617 V HA -0.017 4.109 4.120 0.010 0.000 0.267 617 V C 0.869 176.972 176.094 0.015 0.000 1.042 617 V CA -0.063 62.304 62.300 0.112 0.000 1.000 617 V CB 0.658 32.541 31.823 0.099 0.000 1.015 617 V HN 0.253 nan 8.190 nan 0.000 0.478 618 L N 3.939 125.100 121.223 -0.103 0.000 2.463 618 L HA 0.513 4.859 4.340 0.010 0.000 0.219 618 L C 0.249 176.933 176.870 -0.309 0.000 1.088 618 L CA 0.682 55.336 54.840 -0.310 0.000 0.849 618 L CB -0.207 41.398 42.059 -0.755 0.000 1.012 618 L HN 0.511 nan 8.230 nan 0.000 0.468 619 Y N -0.656 119.435 120.300 -0.348 0.000 2.604 619 Y HA 0.644 5.200 4.550 0.010 0.000 0.331 619 Y C -0.816 175.121 175.900 0.062 0.000 1.158 619 Y CA -0.643 57.293 58.100 -0.273 0.000 1.056 619 Y CB 1.565 39.603 38.460 -0.702 0.000 1.330 619 Y HN 0.006 nan 8.280 nan 0.000 0.457 620 G N 2.792 111.173 108.800 -0.698 0.000 2.755 620 G HA2 0.438 4.404 3.960 0.010 0.000 0.297 620 G HA3 0.438 4.404 3.960 0.010 0.000 0.297 620 G C -2.695 171.837 174.900 -0.615 0.000 1.441 620 G CA -0.621 44.255 45.100 -0.373 0.000 0.964 620 G HN 0.474 nan 8.290 nan 0.000 0.540 621 D N 0.771 121.023 120.400 -0.245 0.000 2.476 621 D HA 0.517 5.163 4.640 0.010 0.000 0.251 621 D C 1.101 177.438 176.300 0.061 0.000 1.291 621 D CA 0.602 54.539 54.000 -0.106 0.000 0.939 621 D CB 1.145 41.964 40.800 0.033 0.000 1.221 621 D HN 0.507 nan 8.370 nan 0.000 0.567 622 T N 2.581 117.194 114.554 0.098 0.000 13.097 622 T HA -0.269 4.088 4.350 0.010 0.000 0.418 622 T C 0.542 175.352 174.700 0.183 0.000 1.446 622 T CA 1.827 64.018 62.100 0.152 0.000 2.371 622 T CB -1.139 67.781 68.868 0.086 0.000 2.810 622 T HN 0.653 nan 8.240 nan 0.000 0.655 623 D N 0.857 121.346 120.400 0.149 0.000 2.640 623 D HA 0.309 4.955 4.640 0.010 0.000 0.282 623 D C -0.083 176.309 176.300 0.152 0.000 1.558 623 D CA 0.572 54.666 54.000 0.157 0.000 0.820 623 D CB -0.203 40.669 40.800 0.119 0.000 1.243 623 D HN 0.747 nan 8.370 nan 0.000 0.456 624 S N 0.323 116.110 115.700 0.145 0.000 2.568 624 S HA 0.814 5.290 4.470 0.010 0.000 0.293 624 S C -0.198 174.468 174.600 0.110 0.000 1.089 624 S CA -0.884 57.387 58.200 0.118 0.000 0.945 624 S CB 2.032 65.309 63.200 0.128 0.000 1.077 624 S HN 0.365 nan 8.310 nan 0.000 0.485 625 I N -1.008 119.598 120.570 0.061 0.000 2.730 625 I HA 0.700 4.876 4.170 0.010 0.000 0.298 625 I C -1.981 174.122 176.117 -0.022 0.000 1.089 625 I CA -1.297 60.065 61.300 0.103 0.000 1.041 625 I CB 1.649 39.730 38.000 0.134 0.000 1.235 625 I HN 0.638 nan 8.210 nan 0.000 0.423 626 Y N 4.028 124.402 120.300 0.123 0.000 2.328 626 Y HA 0.654 5.210 4.550 0.010 0.000 0.336 626 Y C -0.336 175.599 175.900 0.059 0.000 0.960 626 Y CA -0.899 57.263 58.100 0.104 0.000 1.134 626 Y CB 2.180 40.647 38.460 0.010 0.000 1.166 626 Y HN 0.324 nan 8.280 nan 0.000 0.464 627 V N 2.484 122.564 119.914 0.276 0.000 2.417 627 V HA 0.307 4.433 4.120 0.010 0.000 0.291 627 V C 0.092 176.348 176.094 0.270 0.000 1.024 627 V CA -0.988 61.481 62.300 0.281 0.000 0.861 627 V CB 1.774 33.829 31.823 0.386 0.000 0.985 627 V HN 0.793 nan 8.190 nan 0.000 0.436 628 S N 3.413 119.255 115.700 0.237 0.000 2.498 628 S HA 0.386 4.862 4.470 0.010 0.000 0.281 628 S C 0.956 175.743 174.600 0.312 0.000 1.265 628 S CA 0.191 58.543 58.200 0.254 0.000 1.071 628 S CB 0.787 64.106 63.200 0.200 0.000 0.894 628 S HN 1.042 nan 8.310 nan 0.000 0.491 629 A N 4.306 127.301 122.820 0.291 0.000 2.430 629 A HA 0.248 4.574 4.320 0.010 0.000 0.243 629 A C 1.313 178.980 177.584 0.138 0.000 1.254 629 A CA -0.106 52.066 52.037 0.224 0.000 0.914 629 A CB -0.141 18.986 19.000 0.211 0.000 0.998 629 A HN 0.778 nan 8.150 nan 0.000 0.515 630 D N 1.125 121.645 120.400 0.200 0.000 2.116 630 D HA -0.186 4.460 4.640 0.010 0.000 0.193 630 D C 1.746 178.078 176.300 0.053 0.000 0.998 630 D CA 1.564 55.660 54.000 0.160 0.000 0.836 630 D CB -0.066 40.834 40.800 0.166 0.000 0.951 630 D HN 0.463 nan 8.370 nan 0.000 0.449 631 K N -0.063 120.391 120.400 0.089 0.000 2.147 631 K HA -0.068 4.258 4.320 0.010 0.000 0.205 631 K C 2.015 178.637 176.600 0.036 0.000 1.049 631 K CA 0.519 56.853 56.287 0.080 0.000 0.936 631 K CB 0.078 32.680 32.500 0.170 0.000 0.722 631 K HN 0.142 nan 8.250 nan 0.000 0.446 632 I N 1.343 121.919 120.570 0.009 0.000 2.202 632 I HA -0.251 3.925 4.170 0.010 0.000 0.242 632 I C 2.267 178.382 176.117 -0.004 0.000 1.091 632 I CA 1.263 62.514 61.300 -0.080 0.000 1.368 632 I CB -0.941 36.895 38.000 -0.275 0.000 1.058 632 I HN 0.107 nan 8.210 nan 0.000 0.410 633 I N 1.170 121.684 120.570 -0.093 0.000 2.226 633 I HA -0.263 3.913 4.170 0.010 0.000 0.245 633 I C 2.089 178.128 176.117 -0.129 0.000 1.100 633 I CA 1.563 62.741 61.300 -0.202 0.000 1.374 633 I CB -1.254 36.305 38.000 -0.735 0.000 1.057 633 I HN 0.213 nan 8.210 nan 0.000 0.413 634 D N 0.756 121.097 120.400 -0.097 0.000 2.264 634 D HA -0.137 4.509 4.640 0.010 0.000 0.208 634 D C 2.144 178.406 176.300 -0.063 0.000 0.966 634 D CA 0.809 54.772 54.000 -0.062 0.000 0.864 634 D CB -0.118 40.667 40.800 -0.026 0.000 0.933 634 D HN 0.311 nan 8.370 nan 0.000 0.499 635 K N 0.101 120.468 120.400 -0.054 0.000 2.211 635 K HA -0.062 4.264 4.320 0.010 0.000 0.203 635 K C 1.949 178.491 176.600 -0.097 0.000 1.050 635 K CA 0.612 56.870 56.287 -0.047 0.000 0.945 635 K CB 0.325 32.820 32.500 -0.008 0.000 0.732 635 K HN 0.142 nan 8.250 nan 0.000 0.451 636 V N -2.253 117.551 119.914 -0.184 0.000 3.263 636 V HA 0.313 4.439 4.120 0.010 0.000 0.248 636 V C 0.413 176.319 176.094 -0.314 0.000 1.145 636 V CA 0.665 62.778 62.300 -0.311 0.000 1.107 636 V CB 0.112 31.586 31.823 -0.581 0.000 0.797 636 V HN 0.283 nan 8.190 nan 0.000 0.467 637 G N 0.694 109.357 108.800 -0.229 0.000 3.039 637 G HA2 -0.155 3.811 3.960 0.010 0.000 0.686 637 G HA3 -0.155 3.811 3.960 0.010 0.000 0.686 637 G C -0.119 174.690 174.900 -0.152 0.000 1.066 637 G CA 0.142 45.147 45.100 -0.159 0.000 0.774 637 G HN 0.452 nan 8.290 nan 0.000 0.591 638 E N 0.661 120.857 120.200 -0.007 0.000 2.160 638 E HA -0.199 4.158 4.350 0.010 0.000 0.195 638 E C 2.777 179.440 176.600 0.106 0.000 0.991 638 E CA 1.699 58.181 56.400 0.136 0.000 0.810 638 E CB -0.065 29.691 29.700 0.094 0.000 0.742 638 E HN 0.838 nan 8.360 nan 0.000 0.466 639 S N 0.725 116.425 115.700 -0.001 0.000 2.442 639 S HA -0.115 4.361 4.470 0.010 0.000 0.236 639 S C 1.680 176.245 174.600 -0.057 0.000 1.007 639 S CA 0.885 59.080 58.200 -0.008 0.000 0.965 639 S CB -0.019 63.166 63.200 -0.025 0.000 0.773 639 S HN 0.007 nan 8.310 nan 0.000 0.504 640 K N 0.468 120.743 120.400 -0.208 0.000 2.432 640 K HA 0.345 4.671 4.320 0.010 0.000 0.196 640 K C -0.301 176.113 176.600 -0.309 0.000 1.038 640 K CA 0.054 56.148 56.287 -0.322 0.000 0.986 640 K CB -0.195 31.998 32.500 -0.512 0.000 0.782 640 K HN 0.473 nan 8.250 nan 0.000 0.485 641 F N 0.130 120.099 119.950 0.032 0.000 2.394 641 F HA 0.258 4.791 4.527 0.010 0.000 0.340 641 F C 1.490 177.432 175.800 0.237 0.000 1.105 641 F CA -0.643 57.461 58.000 0.173 0.000 1.124 641 F CB 1.236 40.288 39.000 0.087 0.000 1.145 641 F HN -0.236 nan 8.300 nan 0.000 0.505 642 R N 0.501 121.325 120.500 0.540 0.000 2.073 642 R HA -0.020 4.326 4.340 0.010 0.000 0.229 642 R C -0.524 175.879 176.300 0.172 0.000 1.120 642 R CA 1.322 57.548 56.100 0.210 0.000 0.967 642 R CB -0.176 30.137 30.300 0.022 0.000 0.862 642 R HN 0.793 nan 8.270 nan 0.000 0.436 643 D N -4.031 116.491 120.400 0.203 0.000 2.768 643 D HA 0.082 4.728 4.640 0.010 0.000 0.327 643 D C 0.253 176.551 176.300 -0.003 0.000 1.302 643 D CA -0.660 53.394 54.000 0.091 0.000 0.897 643 D CB 0.222 41.032 40.800 0.018 0.000 1.420 643 D HN -0.323 nan 8.370 nan 0.000 0.494 644 T N -0.569 113.869 114.554 -0.193 0.000 2.684 644 T HA -0.134 4.222 4.350 0.010 0.000 0.267 644 T C 1.426 175.519 174.700 -1.011 0.000 1.036 644 T CA 1.479 63.180 62.100 -0.665 0.000 1.148 644 T CB -0.517 67.819 68.868 -0.886 0.000 0.863 644 T HN 0.395 nan 8.240 nan 0.000 0.436 645 N N 0.468 118.837 118.700 -0.552 0.000 2.192 645 N HA -0.141 4.606 4.740 0.010 0.000 0.188 645 N C 1.648 177.006 175.510 -0.253 0.000 1.013 645 N CA 1.145 53.963 53.050 -0.387 0.000 0.863 645 N CB -0.403 37.988 38.487 -0.159 0.000 0.990 645 N HN 0.643 nan 8.380 nan 0.000 0.430 646 H N -0.459 118.459 119.070 -0.252 0.000 2.299 646 H HA -0.119 4.443 4.556 0.010 0.000 0.302 646 H C 2.177 177.467 175.328 -0.063 0.000 1.078 646 H CA 1.447 57.476 56.048 -0.032 0.000 1.323 646 H CB -0.165 29.697 29.762 0.166 0.000 1.381 646 H HN 0.445 nan 8.280 nan 0.000 0.498 647 W N 0.823 121.799 121.300 -0.540 0.000 2.425 647 W HA -0.042 4.624 4.660 0.010 0.000 0.277 647 W C 1.345 177.673 176.519 -0.318 0.000 1.231 647 W CA 0.620 57.367 57.345 -0.996 0.000 1.248 647 W CB -0.956 27.509 29.460 -1.657 0.000 1.117 647 W HN 0.008 nan 8.180 nan 0.000 0.568 648 V N 2.293 121.792 119.914 -0.691 0.000 2.307 648 V HA -0.295 3.831 4.120 0.010 0.000 0.245 648 V C 2.355 178.389 176.094 -0.101 0.000 1.045 648 V CA 2.486 64.495 62.300 -0.485 0.000 1.024 648 V CB -0.964 30.436 31.823 -0.705 0.000 0.651 648 V HN -0.023 nan 8.190 nan 0.000 0.449 649 D N -0.372 119.998 120.400 -0.051 0.000 2.123 649 D HA -0.203 4.443 4.640 0.010 0.000 0.196 649 D C 1.893 178.287 176.300 0.156 0.000 0.992 649 D CA 1.480 55.523 54.000 0.073 0.000 0.833 649 D CB -0.285 40.597 40.800 0.137 0.000 0.954 649 D HN 0.484 nan 8.370 nan 0.000 0.455 650 F N 1.205 121.196 119.950 0.069 0.000 2.134 650 F HA -0.099 4.434 4.527 0.010 0.000 0.299 650 F C 2.119 178.020 175.800 0.169 0.000 1.097 650 F CA 1.084 59.165 58.000 0.135 0.000 1.264 650 F CB -0.285 38.822 39.000 0.177 0.000 1.001 650 F HN -0.118 nan 8.300 nan 0.000 0.479 651 L N 0.028 121.296 121.223 0.076 0.000 2.093 651 L HA -0.172 4.174 4.340 0.010 0.000 0.208 651 L C 2.165 179.078 176.870 0.072 0.000 1.085 651 L CA 1.637 56.504 54.840 0.044 0.000 0.755 651 L CB -0.852 41.353 42.059 0.244 0.000 0.904 651 L HN 0.182 nan 8.230 nan 0.000 0.435 652 D N 0.512 120.948 120.400 0.060 0.000 2.104 652 D HA -0.255 4.391 4.640 0.010 0.000 0.194 652 D C 2.195 178.517 176.300 0.036 0.000 0.994 652 D CA 1.494 55.519 54.000 0.041 0.000 0.830 652 D CB 0.116 40.931 40.800 0.024 0.000 0.959 652 D HN 0.042 nan 8.370 nan 0.000 0.452 653 K N -1.251 119.162 120.400 0.022 0.000 2.057 653 K HA -0.135 4.191 4.320 0.010 0.000 0.206 653 K C 2.181 178.778 176.600 -0.005 0.000 1.050 653 K CA 0.856 57.151 56.287 0.012 0.000 0.935 653 K CB -0.398 32.122 32.500 0.033 0.000 0.715 653 K HN 0.185 nan 8.250 nan 0.000 0.439 654 F N 1.034 120.856 119.950 -0.212 0.000 2.102 654 F HA -0.211 4.322 4.527 0.010 0.000 0.298 654 F C 2.037 177.827 175.800 -0.016 0.000 1.105 654 F CA 1.618 59.509 58.000 -0.182 0.000 1.239 654 F CB -0.275 38.519 39.000 -0.342 0.000 0.991 654 F HN 0.088 nan 8.300 nan 0.000 0.474 655 A N 0.334 123.247 122.820 0.155 0.000 1.877 655 A HA -0.225 4.101 4.320 0.010 0.000 0.216 655 A C 2.330 179.967 177.584 0.088 0.000 1.186 655 A CA 1.865 54.033 52.037 0.218 0.000 0.620 655 A CB -0.843 18.310 19.000 0.254 0.000 0.822 655 A HN 0.470 nan 8.150 nan 0.000 0.443 656 R N -0.493 120.028 120.500 0.034 0.000 2.073 656 R HA -0.068 4.278 4.340 0.010 0.000 0.229 656 R C 1.815 178.085 176.300 -0.049 0.000 1.120 656 R CA 1.584 57.689 56.100 0.007 0.000 0.967 656 R CB -0.129 30.175 30.300 0.008 0.000 0.862 656 R HN 0.660 nan 8.270 nan 0.000 0.436 657 E N -1.051 119.096 120.200 -0.088 0.000 2.340 657 E HA 0.007 4.364 4.350 0.010 0.000 0.194 657 E C 1.729 178.223 176.600 -0.177 0.000 0.996 657 E CA 0.216 56.554 56.400 -0.103 0.000 0.869 657 E CB 0.508 30.169 29.700 -0.064 0.000 0.835 657 E HN 0.155 nan 8.360 nan 0.000 0.493 658 R N -0.307 120.001 120.500 -0.319 0.000 2.144 658 R HA 0.274 4.620 4.340 0.010 0.000 0.195 658 R C 2.096 178.090 176.300 -0.511 0.000 1.077 658 R CA 0.433 56.280 56.100 -0.420 0.000 1.120 658 R CB -0.344 29.521 30.300 -0.725 0.000 1.060 658 R HN 0.124 nan 8.270 nan 0.000 0.520 659 M N 0.908 120.209 119.600 -0.498 0.000 2.160 659 M HA -0.012 4.474 4.480 0.010 0.000 0.264 659 M C 1.874 177.926 176.300 -0.413 0.000 1.073 659 M CA 1.543 56.554 55.300 -0.482 0.000 1.142 659 M CB -0.160 32.273 32.600 -0.279 0.000 1.358 659 M HN 0.125 nan 8.290 nan 0.000 0.422 660 E N 0.133 120.213 120.200 -0.201 0.000 2.085 660 E HA -0.190 4.166 4.350 0.010 0.000 0.194 660 E C -0.820 175.704 176.600 -0.126 0.000 0.994 660 E CA 1.245 57.587 56.400 -0.098 0.000 0.801 660 E CB -1.020 28.698 29.700 0.031 0.000 0.743 660 E HN 0.379 nan 8.360 nan 0.000 0.453 661 P HA -0.131 nan 4.420 nan 0.000 0.218 661 P C 0.942 178.111 177.300 -0.219 0.000 1.149 661 P CA 1.590 64.600 63.100 -0.151 0.000 0.817 661 P CB 0.050 31.661 31.700 -0.148 0.000 0.785 662 A N -0.741 121.833 122.820 -0.410 0.000 1.930 662 A HA -0.134 4.192 4.320 0.010 0.000 0.217 662 A C 2.175 179.551 177.584 -0.347 0.000 1.175 662 A CA 1.230 52.955 52.037 -0.521 0.000 0.627 662 A CB -1.533 16.753 19.000 -1.191 0.000 0.815 662 A HN 0.101 nan 8.150 nan 0.000 0.443 663 I N -0.427 119.955 120.570 -0.313 0.000 2.252 663 I HA -0.228 3.948 4.170 0.010 0.000 0.245 663 I C 2.249 178.354 176.117 -0.020 0.000 1.102 663 I CA 1.794 62.971 61.300 -0.205 0.000 1.385 663 I CB -0.335 37.559 38.000 -0.177 0.000 1.064 663 I HN 0.327 nan 8.210 nan 0.000 0.414 664 D N 0.807 121.239 120.400 0.054 0.000 2.117 664 D HA -0.178 4.468 4.640 0.010 0.000 0.197 664 D C 2.362 178.701 176.300 0.066 0.000 0.987 664 D CA 1.374 55.478 54.000 0.174 0.000 0.829 664 D CB 0.069 40.958 40.800 0.148 0.000 0.961 664 D HN 0.096 nan 8.370 nan 0.000 0.460 665 R N -0.499 119.988 120.500 -0.022 0.000 2.081 665 R HA -0.044 4.303 4.340 0.010 0.000 0.235 665 R C 2.431 178.729 176.300 -0.003 0.000 1.131 665 R CA 1.231 57.308 56.100 -0.037 0.000 0.960 665 R CB -0.516 29.744 30.300 -0.066 0.000 0.856 665 R HN 0.239 nan 8.270 nan 0.000 0.436 666 G N 0.234 109.023 108.800 -0.019 0.000 2.418 666 G HA2 -0.233 3.734 3.960 0.010 0.000 0.217 666 G HA3 -0.233 3.734 3.960 0.010 0.000 0.217 666 G C 1.068 176.090 174.900 0.202 0.000 1.158 666 G CA 0.429 45.571 45.100 0.069 0.000 0.771 666 G HN 0.152 nan 8.290 nan 0.000 0.545 667 F N 0.884 120.915 119.950 0.135 0.000 2.259 667 F HA 0.185 4.718 4.527 0.010 0.000 0.298 667 F C 2.830 178.552 175.800 -0.131 0.000 1.088 667 F CA 0.593 58.611 58.000 0.030 0.000 1.358 667 F CB -0.243 38.862 39.000 0.174 0.000 1.040 667 F HN -0.004 nan 8.300 nan 0.000 0.505 668 R N 0.022 120.462 120.500 -0.100 0.000 2.096 668 R HA -0.194 4.152 4.340 0.010 0.000 0.235 668 R C 2.136 178.397 176.300 -0.065 0.000 1.127 668 R CA 1.562 57.503 56.100 -0.266 0.000 0.968 668 R CB -0.452 29.680 30.300 -0.280 0.000 0.861 668 R HN 0.363 nan 8.270 nan 0.000 0.440 669 E N 0.760 120.977 120.200 0.029 0.000 2.072 669 E HA -0.202 4.154 4.350 0.010 0.000 0.191 669 E C 2.025 178.645 176.600 0.033 0.000 0.985 669 E CA 0.959 57.417 56.400 0.096 0.000 0.801 669 E CB 0.023 29.859 29.700 0.225 0.000 0.750 669 E HN 0.215 nan 8.360 nan 0.000 0.452 670 M N 0.314 119.813 119.600 -0.169 0.000 2.117 670 M HA -0.168 4.318 4.480 0.010 0.000 0.262 670 M C 2.522 178.681 176.300 -0.236 0.000 1.065 670 M CA 1.442 56.352 55.300 -0.649 0.000 1.114 670 M CB -0.289 31.599 32.600 -1.187 0.000 1.361 670 M HN 0.411 nan 8.290 nan 0.000 0.408 671 C N 0.736 119.996 119.300 -0.068 0.000 2.413 671 C HA -0.177 4.289 4.460 0.010 0.000 0.276 671 C C 2.412 177.411 174.990 0.014 0.000 1.248 671 C CA 1.762 60.793 59.018 0.022 0.000 1.742 671 C CB -1.023 26.758 27.740 0.068 0.000 2.017 671 C HN 0.671 nan 8.230 nan 0.000 0.481 672 E N -1.473 118.738 120.200 0.019 0.000 2.072 672 E HA -0.197 4.159 4.350 0.010 0.000 0.191 672 E C 2.001 178.655 176.600 0.089 0.000 0.985 672 E CA 1.196 57.622 56.400 0.042 0.000 0.801 672 E CB -0.385 29.341 29.700 0.043 0.000 0.750 672 E HN 0.799 nan 8.360 nan 0.000 0.452 673 Y N 0.353 120.610 120.300 -0.073 0.000 2.181 673 Y HA -0.166 4.390 4.550 0.010 0.000 0.288 673 Y C 1.759 177.605 175.900 -0.092 0.000 1.146 673 Y CA 1.314 59.374 58.100 -0.066 0.000 1.164 673 Y CB 0.021 38.425 38.460 -0.094 0.000 0.982 673 Y HN 0.082 nan 8.280 nan 0.000 0.515 674 M N 0.223 119.737 119.600 -0.144 0.000 2.561 674 M HA 0.028 4.514 4.480 0.010 0.000 0.238 674 M C 0.684 176.925 176.300 -0.098 0.000 1.131 674 M CA 0.548 55.721 55.300 -0.211 0.000 1.046 674 M CB -1.425 31.118 32.600 -0.095 0.000 1.532 674 M HN 0.347 nan 8.290 nan 0.000 0.497 675 N N 2.416 121.087 118.700 -0.047 0.000 2.721 675 N HA -0.209 4.537 4.740 0.010 0.000 0.249 675 N C -0.806 174.704 175.510 -0.000 0.000 1.072 675 N CA 0.386 53.424 53.050 -0.021 0.000 0.710 675 N CB -1.486 36.977 38.487 -0.040 0.000 0.993 675 N HN 0.534 nan 8.380 nan 0.000 0.547 676 N N 0.186 118.889 118.700 0.005 0.000 2.371 676 N HA 0.040 4.786 4.740 0.010 0.000 0.243 676 N C 1.283 176.787 175.510 -0.011 0.000 1.287 676 N CA 0.004 53.048 53.050 -0.009 0.000 0.911 676 N CB 0.535 39.009 38.487 -0.023 0.000 1.142 676 N HN 0.273 nan 8.380 nan 0.000 0.451 677 K N 0.435 120.815 120.400 -0.034 0.000 2.097 677 K HA -0.098 4.228 4.320 0.010 0.000 0.205 677 K C 0.030 176.617 176.600 -0.022 0.000 1.050 677 K CA 1.273 57.547 56.287 -0.022 0.000 0.938 677 K CB 0.240 32.719 32.500 -0.035 0.000 0.718 677 K HN 0.549 nan 8.250 nan 0.000 0.442 678 Q N -0.144 119.629 119.800 -0.046 0.000 2.313 678 Q HA 0.019 4.365 4.340 0.010 0.000 0.260 678 Q C -1.943 174.028 176.000 -0.048 0.000 0.972 678 Q CA -0.696 55.089 55.803 -0.030 0.000 0.886 678 Q CB 1.141 29.844 28.738 -0.058 0.000 1.373 678 Q HN 0.319 nan 8.270 nan 0.000 0.416 679 H N 4.835 123.861 119.070 -0.074 0.000 3.017 679 H HA 0.221 4.783 4.556 0.010 0.000 0.276 679 H C -0.521 174.642 175.328 -0.276 0.000 1.062 679 H CA 0.859 56.841 56.048 -0.110 0.000 1.486 679 H CB 0.199 29.966 29.762 0.007 0.000 1.507 679 H HN 0.626 nan 8.280 nan 0.000 0.508 680 L N 4.963 125.642 121.223 -0.906 0.000 3.429 680 L HA 0.195 4.541 4.340 0.010 0.000 0.311 680 L C -0.318 175.637 176.870 -1.525 0.000 1.274 680 L CA -0.187 53.804 54.840 -1.416 0.000 1.037 680 L CB 0.335 41.920 42.059 -0.790 0.000 1.433 680 L HN 0.608 nan 8.230 nan 0.000 0.614 681 M N 1.574 120.466 119.600 -1.181 0.000 2.775 681 M HA 0.254 4.740 4.480 0.010 0.000 0.313 681 M C -1.028 174.914 176.300 -0.597 0.000 1.429 681 M CA 0.249 55.020 55.300 -0.882 0.000 1.494 681 M CB -0.654 31.314 32.600 -1.052 0.000 1.274 681 M HN -0.101 nan 8.290 nan 0.000 0.491 682 F N 3.301 123.094 119.950 -0.261 0.000 2.308 682 F HA 0.464 4.997 4.527 0.010 0.000 0.370 682 F C 0.380 176.186 175.800 0.010 0.000 1.100 682 F CA -1.088 56.862 58.000 -0.083 0.000 1.108 682 F CB 0.562 39.517 39.000 -0.074 0.000 1.293 682 F HN 0.436 nan 8.300 nan 0.000 0.478 683 M N 4.726 124.507 119.600 0.301 0.000 2.047 683 M HA 0.397 4.883 4.480 0.010 0.000 0.342 683 M C -1.386 175.096 176.300 0.303 0.000 1.058 683 M CA -0.211 55.266 55.300 0.295 0.000 0.991 683 M CB 0.290 33.133 32.600 0.405 0.000 1.474 683 M HN 0.363 nan 8.290 nan 0.000 0.419 684 D N 3.506 124.061 120.400 0.259 0.000 2.272 684 D HA 0.315 4.961 4.640 0.010 0.000 0.247 684 D C -0.362 176.068 176.300 0.217 0.000 0.990 684 D CA -0.423 53.715 54.000 0.229 0.000 0.931 684 D CB 1.343 42.217 40.800 0.122 0.000 1.195 684 D HN 0.544 nan 8.370 nan 0.000 0.477 685 R N 1.458 122.026 120.500 0.113 0.000 2.538 685 R HA -0.051 4.296 4.340 0.010 0.000 0.282 685 R C 0.540 176.718 176.300 -0.204 0.000 1.009 685 R CA 0.638 56.545 56.100 -0.323 0.000 1.063 685 R CB 0.611 30.727 30.300 -0.306 0.000 0.945 685 R HN 0.642 nan 8.270 nan 0.000 0.414 686 E N 2.569 122.606 120.200 -0.272 0.000 2.098 686 E HA 0.225 4.582 4.350 0.010 0.000 0.196 686 E C -0.528 176.013 176.600 -0.098 0.000 0.955 686 E CA 0.127 56.450 56.400 -0.128 0.000 0.936 686 E CB 0.341 29.990 29.700 -0.086 0.000 1.054 686 E HN 0.687 nan 8.360 nan 0.000 0.482 687 A N 0.915 123.685 122.820 -0.082 0.000 2.325 687 A HA 0.616 4.942 4.320 0.010 0.000 0.333 687 A C -0.775 176.840 177.584 0.052 0.000 1.155 687 A CA -0.524 51.532 52.037 0.032 0.000 0.814 687 A CB 0.708 19.791 19.000 0.137 0.000 1.206 687 A HN 0.355 nan 8.150 nan 0.000 0.482 688 I N 1.585 122.241 120.570 0.144 0.000 2.389 688 I HA 0.561 4.737 4.170 0.010 0.000 0.288 688 I C 0.287 176.666 176.117 0.438 0.000 0.999 688 I CA -0.140 61.321 61.300 0.267 0.000 1.129 688 I CB 1.774 39.914 38.000 0.234 0.000 1.288 688 I HN 0.713 nan 8.210 nan 0.000 0.444 689 A N 4.664 127.791 122.820 0.511 0.000 2.386 689 A HA 1.008 5.334 4.320 0.010 0.000 0.311 689 A C -0.315 177.654 177.584 0.641 0.000 1.068 689 A CA -0.496 51.865 52.037 0.539 0.000 0.743 689 A CB 1.846 21.055 19.000 0.349 0.000 1.258 689 A HN 0.864 nan 8.150 nan 0.000 0.429 690 G N 0.849 110.079 108.800 0.718 0.000 2.368 690 G HA2 0.629 4.595 3.960 0.010 0.000 0.293 690 G HA3 0.629 4.595 3.960 0.010 0.000 0.293 690 G C -3.582 171.665 174.900 0.577 0.000 1.467 690 G CA -0.670 44.669 45.100 0.399 0.000 0.804 690 G HN 0.573 nan 8.290 nan 0.000 0.535 691 P HA 0.398 nan 4.420 nan 0.000 0.276 691 P C -2.759 174.850 177.300 0.515 0.000 1.244 691 P CA -1.531 61.749 63.100 0.300 0.000 0.801 691 P CB 0.436 32.169 31.700 0.054 0.000 1.006 692 P HA 0.043 nan 4.420 nan 0.000 0.265 692 P C 0.249 177.719 177.300 0.282 0.000 1.193 692 P CA 0.201 63.565 63.100 0.440 0.000 0.765 692 P CB 0.222 32.157 31.700 0.392 0.000 0.823 693 L N 3.327 124.709 121.223 0.266 0.000 2.559 693 L HA 0.044 4.390 4.340 0.010 0.000 0.274 693 L C 1.394 178.362 176.870 0.163 0.000 1.205 693 L CA 1.325 56.313 54.840 0.248 0.000 0.907 693 L CB -0.744 41.474 42.059 0.265 0.000 1.153 693 L HN 0.841 nan 8.230 nan 0.000 0.490 694 G N 2.479 111.360 108.800 0.135 0.000 2.148 694 G HA2 -0.282 3.684 3.960 0.010 0.000 0.254 694 G HA3 -0.282 3.684 3.960 0.010 0.000 0.254 694 G C 0.247 175.199 174.900 0.088 0.000 0.981 694 G CA 0.450 45.611 45.100 0.100 0.000 0.670 694 G HN 0.881 nan 8.290 nan 0.000 0.528 695 S N -1.348 114.411 115.700 0.100 0.000 2.745 695 S HA 0.738 5.214 4.470 0.010 0.000 0.292 695 S C 0.740 175.378 174.600 0.063 0.000 1.133 695 S CA -0.210 58.043 58.200 0.088 0.000 0.998 695 S CB 1.698 64.969 63.200 0.119 0.000 1.087 695 S HN 0.224 nan 8.310 nan 0.000 0.551 696 K N 0.258 120.690 120.400 0.053 0.000 2.410 696 K HA 0.250 4.577 4.320 0.010 0.000 0.200 696 K C 0.945 177.566 176.600 0.036 0.000 1.023 696 K CA -0.034 56.275 56.287 0.035 0.000 1.149 696 K CB -0.071 32.445 32.500 0.027 0.000 0.859 696 K HN 0.714 nan 8.250 nan 0.000 0.514 697 G N 1.445 110.277 108.800 0.053 0.000 2.554 697 G HA2 0.074 4.040 3.960 0.010 0.000 0.238 697 G HA3 0.074 4.040 3.960 0.010 0.000 0.238 697 G C 0.822 175.741 174.900 0.031 0.000 1.259 697 G CA -0.404 44.730 45.100 0.057 0.000 0.843 697 G HN 0.381 nan 8.290 nan 0.000 0.582 698 I N -0.374 120.221 120.570 0.041 0.000 3.728 698 I HA 0.356 4.532 4.170 0.010 0.000 0.307 698 I C 1.685 177.821 176.117 0.032 0.000 1.276 698 I CA 0.536 61.854 61.300 0.030 0.000 1.285 698 I CB 0.145 38.178 38.000 0.055 0.000 1.038 698 I HN 0.808 nan 8.210 nan 0.000 0.445 699 G N 1.339 110.169 108.800 0.050 0.000 3.444 699 G HA2 -0.197 3.769 3.960 0.010 0.000 0.222 699 G HA3 -0.197 3.769 3.960 0.010 0.000 0.222 699 G C 0.500 175.463 174.900 0.106 0.000 1.358 699 G CA -0.036 45.101 45.100 0.062 0.000 0.880 699 G HN 1.175 nan 8.290 nan 0.000 0.555 700 G N -1.054 107.840 108.800 0.156 0.000 2.576 700 G HA2 0.850 4.816 3.960 0.010 0.000 0.290 700 G HA3 0.850 4.816 3.960 0.010 0.000 0.290 700 G C -1.041 174.052 174.900 0.322 0.000 1.442 700 G CA 0.051 45.241 45.100 0.150 0.000 0.792 700 G HN 1.762 nan 8.290 nan 0.000 0.491 701 F N -2.135 117.890 119.950 0.125 0.000 2.678 701 F HA 0.814 5.347 4.527 0.010 0.000 0.308 701 F C -1.810 174.080 175.800 0.149 0.000 1.118 701 F CA -1.964 56.181 58.000 0.241 0.000 0.959 701 F CB 1.485 40.537 39.000 0.088 0.000 1.305 701 F HN 0.536 nan 8.300 nan 0.000 0.443 702 W N 2.359 123.848 121.300 0.315 0.000 2.632 702 W HA 0.344 5.010 4.660 0.010 0.000 0.328 702 W C 0.342 177.015 176.519 0.256 0.000 1.044 702 W CA -0.202 57.221 57.345 0.131 0.000 1.225 702 W CB 2.729 32.167 29.460 -0.037 0.000 1.396 702 W HN 0.895 nan 8.180 nan 0.000 0.499 703 T N -0.357 114.402 114.554 0.342 0.000 3.015 703 T HA 0.429 4.785 4.350 0.010 0.000 0.250 703 T C 0.587 175.412 174.700 0.209 0.000 1.057 703 T CA 0.809 63.077 62.100 0.280 0.000 1.066 703 T CB 0.994 70.023 68.868 0.268 0.000 0.959 703 T HN 0.560 nan 8.240 nan 0.000 0.488 704 G N 0.413 109.332 108.800 0.198 0.000 2.325 704 G HA2 0.373 4.339 3.960 0.010 0.000 0.295 704 G HA3 0.373 4.339 3.960 0.010 0.000 0.295 704 G C -1.854 173.143 174.900 0.161 0.000 1.274 704 G CA -1.202 43.998 45.100 0.167 0.000 0.857 704 G HN 0.268 nan 8.290 nan 0.000 0.499 705 K N 0.922 121.428 120.400 0.176 0.000 2.484 705 K HA 0.204 4.531 4.320 0.010 0.000 0.280 705 K C 0.243 176.957 176.600 0.190 0.000 1.013 705 K CA 0.803 57.240 56.287 0.250 0.000 1.029 705 K CB 0.252 32.874 32.500 0.204 0.000 0.902 705 K HN 0.615 nan 8.250 nan 0.000 0.481 706 K N 1.298 121.865 120.400 0.279 0.000 3.209 706 K HA -0.253 4.073 4.320 0.010 0.000 0.289 706 K C -0.627 175.976 176.600 0.005 0.000 1.191 706 K CA 0.981 57.387 56.287 0.198 0.000 0.851 706 K CB -0.852 31.734 32.500 0.144 0.000 1.242 706 K HN 0.576 nan 8.250 nan 0.000 0.480 707 R N 0.370 120.846 120.500 -0.039 0.000 2.575 707 R HA 0.297 4.643 4.340 0.010 0.000 0.292 707 R C -1.211 174.874 176.300 -0.359 0.000 1.246 707 R CA -0.744 55.245 56.100 -0.185 0.000 0.973 707 R CB 0.889 31.170 30.300 -0.031 0.000 1.187 707 R HN 0.249 nan 8.270 nan 0.000 0.478 708 Y N -0.916 118.907 120.300 -0.796 0.000 2.677 708 Y HA 0.820 5.376 4.550 0.010 0.000 0.334 708 Y C -1.872 173.323 175.900 -1.176 0.000 1.196 708 Y CA -1.373 55.942 58.100 -1.308 0.000 1.059 708 Y CB 1.276 38.266 38.460 -2.451 0.000 1.315 708 Y HN 0.396 nan 8.280 nan 0.000 0.455 709 A N 2.148 124.229 122.820 -1.230 0.000 2.486 709 A HA 0.853 5.180 4.320 0.010 0.000 0.300 709 A C -2.110 175.104 177.584 -0.617 0.000 1.048 709 A CA -0.807 50.668 52.037 -0.936 0.000 0.696 709 A CB 1.466 19.823 19.000 -1.071 0.000 1.278 709 A HN 0.805 nan 8.150 nan 0.000 0.405 710 L N 1.343 122.365 121.223 -0.334 0.000 2.422 710 L HA 0.438 4.784 4.340 0.010 0.000 0.264 710 L C -0.528 176.282 176.870 -0.099 0.000 0.984 710 L CA -0.909 53.856 54.840 -0.124 0.000 0.819 710 L CB 2.494 44.569 42.059 0.026 0.000 1.330 710 L HN 0.800 nan 8.230 nan 0.000 0.410 711 N N 1.715 120.389 118.700 -0.042 0.000 2.469 711 N HA 0.338 5.084 4.740 0.010 0.000 0.239 711 N C -1.133 174.283 175.510 -0.158 0.000 1.053 711 N CA -0.208 52.765 53.050 -0.128 0.000 0.937 711 N CB 0.866 39.306 38.487 -0.079 0.000 1.163 711 N HN 0.253 nan 8.380 nan 0.000 0.509 712 V N 4.073 123.865 119.914 -0.203 0.000 2.439 712 V HA 0.235 4.361 4.120 0.010 0.000 0.282 712 V C 0.264 176.285 176.094 -0.122 0.000 1.039 712 V CA -0.438 61.846 62.300 -0.026 0.000 0.913 712 V CB 1.138 33.037 31.823 0.127 0.000 0.983 712 V HN 0.772 nan 8.190 nan 0.000 0.460 713 W N 0.753 122.174 121.300 0.203 0.000 2.808 713 W HA 0.311 4.977 4.660 0.011 0.000 0.266 713 W C 0.694 177.235 176.519 0.037 0.000 1.247 713 W CA -0.083 57.346 57.345 0.140 0.000 1.440 713 W CB 0.682 30.112 29.460 -0.050 0.000 1.040 713 W HN 0.474 nan 8.180 nan 0.000 0.606 714 D N 0.371 120.861 120.400 0.149 0.000 2.970 714 D HA 0.244 4.891 4.640 0.010 0.000 0.230 714 D C -1.572 174.669 176.300 -0.099 0.000 1.276 714 D CA -0.392 53.544 54.000 -0.107 0.000 0.910 714 D CB 1.610 42.387 40.800 -0.039 0.000 1.590 714 D HN -0.193 nan 8.370 nan 0.000 0.551 715 M N 3.323 122.772 119.600 -0.251 0.000 2.151 715 M HA 0.263 4.749 4.480 0.010 0.000 0.290 715 M C -0.174 176.056 176.300 -0.116 0.000 0.965 715 M CA 0.041 55.282 55.300 -0.099 0.000 0.930 715 M CB 1.096 33.712 32.600 0.026 0.000 1.560 715 M HN 0.456 nan 8.290 nan 0.000 0.438 716 E N 3.400 123.556 120.200 -0.073 0.000 2.494 716 E HA -0.259 4.097 4.350 0.010 0.000 0.249 716 E C 0.687 177.240 176.600 -0.078 0.000 1.184 716 E CA 1.151 57.514 56.400 -0.062 0.000 0.727 716 E CB -1.459 28.217 29.700 -0.040 0.000 1.281 716 E HN 1.335 nan 8.360 nan 0.000 0.405 717 G N -0.912 107.830 108.800 -0.097 0.000 2.175 717 G HA2 -0.286 3.680 3.960 0.010 0.000 0.244 717 G HA3 -0.286 3.680 3.960 0.010 0.000 0.244 717 G C 0.254 175.077 174.900 -0.129 0.000 0.982 717 G CA 0.328 45.373 45.100 -0.092 0.000 0.641 717 G HN 0.250 nan 8.290 nan 0.000 0.527 718 T N 1.121 115.556 114.554 -0.200 0.000 2.727 718 T HA 0.518 4.874 4.350 0.010 0.000 0.298 718 T C 0.331 174.771 174.700 -0.432 0.000 0.942 718 T CA -0.241 61.691 62.100 -0.279 0.000 0.997 718 T CB 1.347 70.035 68.868 -0.300 0.000 0.917 718 T HN 0.434 nan 8.240 nan 0.000 0.487 719 R N 3.410 123.758 120.500 -0.253 0.000 2.210 719 R HA 0.283 4.629 4.340 0.010 0.000 0.338 719 R C -1.088 175.147 176.300 -0.110 0.000 1.062 719 R CA -0.519 55.473 56.100 -0.179 0.000 0.902 719 R CB -0.354 29.911 30.300 -0.058 0.000 1.050 719 R HN 0.463 nan 8.270 nan 0.000 0.461 720 Y N 2.478 122.816 120.300 0.062 0.000 2.397 720 Y HA 0.179 4.735 4.550 0.010 0.000 0.335 720 Y C 1.538 177.490 175.900 0.086 0.000 1.213 720 Y CA 0.214 58.342 58.100 0.047 0.000 1.391 720 Y CB 0.873 39.337 38.460 0.008 0.000 1.293 720 Y HN 0.771 nan 8.280 nan 0.000 0.557 721 A N 1.571 124.542 122.820 0.252 0.000 1.930 721 A HA -0.045 4.281 4.320 0.010 0.000 0.217 721 A C 0.541 178.265 177.584 0.232 0.000 1.175 721 A CA 1.213 53.381 52.037 0.218 0.000 0.627 721 A CB -0.139 18.960 19.000 0.165 0.000 0.815 721 A HN 0.664 nan 8.150 nan 0.000 0.443 722 E N -0.344 119.955 120.200 0.164 0.000 2.266 722 E HA 0.394 4.750 4.350 0.010 0.000 0.268 722 E C -2.896 173.659 176.600 -0.074 0.000 0.879 722 E CA -2.574 53.868 56.400 0.070 0.000 0.762 722 E CB 1.315 31.025 29.700 0.016 0.000 1.199 722 E HN 0.128 nan 8.360 nan 0.000 0.422 723 P HA 0.046 nan 4.420 nan 0.000 0.267 723 P C -0.540 176.464 177.300 -0.494 0.000 1.200 723 P CA 0.047 62.769 63.100 -0.631 0.000 0.772 723 P CB 0.913 31.872 31.700 -1.236 0.000 0.855 724 K N 2.800 122.875 120.400 -0.541 0.000 2.292 724 K HA 0.398 4.724 4.320 0.010 0.000 0.257 724 K C -0.383 176.007 176.600 -0.349 0.000 0.940 724 K CA -0.795 55.179 56.287 -0.521 0.000 0.811 724 K CB 0.806 32.777 32.500 -0.881 0.000 1.120 724 K HN 0.395 nan 8.250 nan 0.000 0.428 725 L N 4.331 125.385 121.223 -0.282 0.000 2.361 725 L HA 0.207 4.553 4.340 0.010 0.000 0.278 725 L C 0.274 177.022 176.870 -0.204 0.000 1.113 725 L CA -0.015 54.688 54.840 -0.229 0.000 0.849 725 L CB 0.473 42.407 42.059 -0.209 0.000 1.155 725 L HN 0.518 nan 8.230 nan 0.000 0.452 726 K N 5.728 126.021 120.400 -0.179 0.000 2.292 726 K HA 0.514 4.840 4.320 0.010 0.000 0.270 726 K C -0.975 175.451 176.600 -0.289 0.000 1.062 726 K CA -0.398 55.793 56.287 -0.160 0.000 0.916 726 K CB 0.558 33.036 32.500 -0.038 0.000 1.166 726 K HN 0.525 nan 8.250 nan 0.000 0.458 727 I N 5.401 125.773 120.570 -0.331 0.000 2.389 727 I HA 0.323 4.499 4.170 0.010 0.000 0.288 727 I C -0.588 175.229 176.117 -0.500 0.000 0.999 727 I CA -0.874 60.143 61.300 -0.471 0.000 1.129 727 I CB 1.648 39.423 38.000 -0.375 0.000 1.288 727 I HN 0.401 nan 8.210 nan 0.000 0.444 728 M N 4.145 123.272 119.600 -0.789 0.000 2.311 728 M HA 0.453 4.939 4.480 0.010 0.000 0.325 728 M C 0.958 176.931 176.300 -0.544 0.000 1.061 728 M CA -0.602 54.289 55.300 -0.680 0.000 0.957 728 M CB 0.926 32.954 32.600 -0.952 0.000 1.646 728 M HN 0.891 nan 8.290 nan 0.000 0.434 729 G N 2.292 110.916 108.800 -0.294 0.000 2.396 729 G HA2 -0.232 3.734 3.960 0.010 0.000 0.242 729 G HA3 -0.232 3.734 3.960 0.010 0.000 0.242 729 G C 0.213 175.038 174.900 -0.125 0.000 1.069 729 G CA 0.098 45.092 45.100 -0.177 0.000 0.633 729 G HN 0.586 nan 8.290 nan 0.000 0.517 730 L N 0.377 121.491 121.223 -0.181 0.000 2.476 730 L HA 0.343 4.689 4.340 0.010 0.000 0.264 730 L C 1.899 178.777 176.870 0.014 0.000 1.224 730 L CA -0.110 54.693 54.840 -0.061 0.000 0.821 730 L CB 0.209 42.120 42.059 -0.246 0.000 1.101 730 L HN 0.096 nan 8.230 nan 0.000 0.488 731 E N 0.113 120.404 120.200 0.151 0.000 2.209 731 E HA -0.185 4.171 4.350 0.010 0.000 0.196 731 E C 1.919 178.559 176.600 0.067 0.000 0.993 731 E CA 1.649 58.110 56.400 0.101 0.000 0.819 731 E CB -0.235 29.531 29.700 0.110 0.000 0.745 731 E HN 0.874 nan 8.360 nan 0.000 0.477 732 T N -1.252 113.340 114.554 0.063 0.000 2.897 732 T HA -0.171 4.186 4.350 0.010 0.000 0.271 732 T C 1.430 176.126 174.700 -0.007 0.000 1.084 732 T CA 0.885 62.998 62.100 0.022 0.000 1.123 732 T CB -0.041 68.814 68.868 -0.021 0.000 0.865 732 T HN 0.014 nan 8.240 nan 0.000 0.496 733 Q N 0.565 120.346 119.800 -0.031 0.000 2.356 733 Q HA 0.305 4.651 4.340 0.010 0.000 0.205 733 Q C 0.167 176.156 176.000 -0.019 0.000 0.901 733 Q CA 0.391 56.171 55.803 -0.038 0.000 0.938 733 Q CB 0.317 29.006 28.738 -0.082 0.000 1.081 733 Q HN 0.594 nan 8.270 nan 0.000 0.517 734 K N 1.003 121.397 120.400 -0.010 0.000 2.211 734 K HA 0.168 4.494 4.320 0.010 0.000 0.275 734 K C 1.060 177.653 176.600 -0.010 0.000 1.024 734 K CA 0.016 56.296 56.287 -0.012 0.000 0.887 734 K CB 1.297 33.790 32.500 -0.012 0.000 1.084 734 K HN -0.022 nan 8.250 nan 0.000 0.463 735 S N 0.620 116.305 115.700 -0.025 0.000 2.442 735 S HA -0.176 4.300 4.470 0.010 0.000 0.236 735 S C 1.699 176.273 174.600 -0.044 0.000 1.007 735 S CA 1.399 59.576 58.200 -0.039 0.000 0.965 735 S CB -0.308 62.851 63.200 -0.068 0.000 0.773 735 S HN 0.615 nan 8.310 nan 0.000 0.504 736 S N 0.766 116.439 115.700 -0.045 0.000 2.453 736 S HA 0.015 4.491 4.470 0.010 0.000 0.231 736 S C 0.836 175.427 174.600 -0.016 0.000 1.005 736 S CA 0.427 58.598 58.200 -0.049 0.000 0.949 736 S CB -1.042 62.121 63.200 -0.061 0.000 0.774 736 S HN 0.467 nan 8.310 nan 0.000 0.510 737 T N 4.787 119.343 114.554 0.003 0.000 2.851 737 T HA 0.342 4.698 4.350 0.010 0.000 0.298 737 T C -2.635 172.092 174.700 0.044 0.000 0.977 737 T CA -1.057 61.060 62.100 0.028 0.000 1.126 737 T CB 0.826 69.718 68.868 0.039 0.000 0.916 737 T HN 0.135 nan 8.240 nan 0.000 0.529 738 P HA 0.038 nan 4.420 nan 0.000 0.264 738 P C 1.031 178.375 177.300 0.074 0.000 1.183 738 P CA -0.214 62.923 63.100 0.062 0.000 0.763 738 P CB 0.567 32.313 31.700 0.077 0.000 0.807 739 K N 3.072 123.514 120.400 0.070 0.000 2.044 739 K HA -0.202 4.124 4.320 0.010 0.000 0.210 739 K C 1.823 178.475 176.600 0.087 0.000 1.049 739 K CA 2.222 58.559 56.287 0.083 0.000 0.927 739 K CB -0.869 31.684 32.500 0.089 0.000 0.713 739 K HN 0.510 nan 8.250 nan 0.000 0.443 740 A N 0.588 123.467 122.820 0.099 0.000 1.969 740 A HA -0.085 4.241 4.320 0.010 0.000 0.218 740 A C 2.410 180.075 177.584 0.135 0.000 1.169 740 A CA 1.300 53.419 52.037 0.138 0.000 0.635 740 A CB -0.335 18.774 19.000 0.181 0.000 0.810 740 A HN 0.094 nan 8.150 nan 0.000 0.445 741 V N -0.272 119.722 119.914 0.133 0.000 2.407 741 V HA -0.260 3.866 4.120 0.010 0.000 0.245 741 V C 2.549 178.703 176.094 0.100 0.000 1.041 741 V CA 1.937 64.309 62.300 0.119 0.000 1.040 741 V CB -0.848 31.080 31.823 0.175 0.000 0.671 741 V HN 0.615 nan 8.190 nan 0.000 0.455 742 Q N 0.096 119.950 119.800 0.089 0.000 2.077 742 Q HA -0.321 4.025 4.340 0.010 0.000 0.206 742 Q C 2.354 178.388 176.000 0.057 0.000 0.989 742 Q CA 2.286 58.133 55.803 0.074 0.000 0.853 742 Q CB -0.281 28.494 28.738 0.063 0.000 0.907 742 Q HN 0.570 nan 8.270 nan 0.000 0.418 743 K N 0.183 120.613 120.400 0.050 0.000 2.026 743 K HA -0.162 4.165 4.320 0.010 0.000 0.208 743 K C 2.055 178.669 176.600 0.023 0.000 1.048 743 K CA 1.241 57.550 56.287 0.037 0.000 0.929 743 K CB -0.165 32.370 32.500 0.058 0.000 0.713 743 K HN 0.189 nan 8.250 nan 0.000 0.439 744 A N 1.124 123.925 122.820 -0.032 0.000 1.898 744 A HA -0.101 4.225 4.320 0.010 0.000 0.216 744 A C 2.123 179.785 177.584 0.130 0.000 1.181 744 A CA 1.209 53.185 52.037 -0.102 0.000 0.620 744 A CB -0.616 17.764 19.000 -1.033 0.000 0.819 744 A HN 0.325 nan 8.150 nan 0.000 0.442 745 L N -0.691 120.639 121.223 0.178 0.000 2.083 745 L HA -0.207 4.139 4.340 0.010 0.000 0.209 745 L C 2.640 179.589 176.870 0.132 0.000 1.083 745 L CA 1.920 56.888 54.840 0.214 0.000 0.752 745 L CB -0.367 41.829 42.059 0.229 0.000 0.899 745 L HN 0.475 nan 8.230 nan 0.000 0.433 746 K N 0.220 120.651 120.400 0.053 0.000 2.057 746 K HA -0.256 4.071 4.320 0.010 0.000 0.207 746 K C 2.065 178.631 176.600 -0.057 0.000 1.049 746 K CA 1.595 57.870 56.287 -0.020 0.000 0.931 746 K CB 0.093 32.569 32.500 -0.040 0.000 0.714 746 K HN 0.066 nan 8.250 nan 0.000 0.440 747 E N 0.438 120.586 120.200 -0.087 0.000 2.106 747 E HA -0.142 4.214 4.350 0.010 0.000 0.192 747 E C 1.738 178.212 176.600 -0.209 0.000 0.984 747 E CA 1.453 57.708 56.400 -0.242 0.000 0.806 747 E CB -0.381 29.021 29.700 -0.497 0.000 0.750 747 E HN 0.375 nan 8.360 nan 0.000 0.458 748 C N 0.042 119.330 119.300 -0.019 0.000 2.413 748 C HA -0.087 4.379 4.460 0.010 0.000 0.276 748 C C 2.597 177.626 174.990 0.065 0.000 1.236 748 C CA 0.813 59.893 59.018 0.103 0.000 1.735 748 C CB -1.025 26.837 27.740 0.204 0.000 2.031 748 C HN 0.479 nan 8.230 nan 0.000 0.474 749 I N 0.204 120.806 120.570 0.053 0.000 2.226 749 I HA -0.200 3.976 4.170 0.010 0.000 0.245 749 I C 2.869 178.989 176.117 0.004 0.000 1.100 749 I CA 1.407 62.734 61.300 0.046 0.000 1.374 749 I CB -0.611 37.365 38.000 -0.041 0.000 1.057 749 I HN 0.318 nan 8.210 nan 0.000 0.413 750 R N 1.193 121.661 120.500 -0.053 0.000 2.083 750 R HA -0.194 4.152 4.340 0.010 0.000 0.237 750 R C 2.493 178.770 176.300 -0.039 0.000 1.137 750 R CA 1.691 57.748 56.100 -0.072 0.000 0.951 750 R CB -0.119 30.115 30.300 -0.109 0.000 0.851 750 R HN 0.289 nan 8.270 nan 0.000 0.434 751 R N -0.207 120.270 120.500 -0.039 0.000 2.073 751 R HA -0.095 4.251 4.340 0.010 0.000 0.234 751 R C 2.478 178.796 176.300 0.031 0.000 1.134 751 R CA 2.020 58.117 56.100 -0.006 0.000 0.952 751 R CB -0.308 29.989 30.300 -0.005 0.000 0.850 751 R HN 0.262 nan 8.270 nan 0.000 0.433 752 M N 0.470 120.097 119.600 0.045 0.000 2.073 752 M HA -0.230 4.256 4.480 0.010 0.000 0.258 752 M C 2.209 178.550 176.300 0.069 0.000 1.070 752 M CA 1.847 57.181 55.300 0.057 0.000 1.103 752 M CB -0.346 32.293 32.600 0.065 0.000 1.321 752 M HN 0.151 nan 8.290 nan 0.000 0.405 753 L N -1.109 120.159 121.223 0.075 0.000 2.156 753 L HA -0.168 4.178 4.340 0.010 0.000 0.208 753 L C 2.198 179.109 176.870 0.067 0.000 1.095 753 L CA 1.192 56.075 54.840 0.072 0.000 0.770 753 L CB -0.586 41.494 42.059 0.035 0.000 0.914 753 L HN 0.439 nan 8.230 nan 0.000 0.439 754 Q N -0.961 118.871 119.800 0.052 0.000 2.402 754 Q HA 0.019 4.365 4.340 0.010 0.000 0.231 754 Q C 1.307 177.357 176.000 0.083 0.000 0.888 754 Q CA 0.421 56.271 55.803 0.079 0.000 0.938 754 Q CB 0.728 29.491 28.738 0.042 0.000 1.086 754 Q HN 0.494 nan 8.270 nan 0.000 0.543 755 E N -0.623 119.612 120.200 0.059 0.000 2.399 755 E HA 0.265 4.621 4.350 0.010 0.000 0.206 755 E C 0.432 177.062 176.600 0.050 0.000 0.812 755 E CA 0.337 56.770 56.400 0.056 0.000 1.138 755 E CB 1.565 31.292 29.700 0.045 0.000 1.140 755 E HN 0.230 nan 8.360 nan 0.000 0.536 756 G N 1.474 110.301 108.800 0.046 0.000 2.422 756 G HA2 -0.241 3.725 3.960 0.010 0.000 0.607 756 G HA3 -0.241 3.725 3.960 0.010 0.000 0.607 756 G C 0.122 175.045 174.900 0.038 0.000 1.270 756 G CA -0.067 45.056 45.100 0.037 0.000 0.992 756 G HN 0.120 nan 8.290 nan 0.000 0.499 757 E N -0.419 119.796 120.200 0.026 0.000 2.051 757 E HA -0.156 4.200 4.350 0.010 0.000 0.192 757 E C 2.094 178.720 176.600 0.043 0.000 0.991 757 E CA 1.708 58.122 56.400 0.024 0.000 0.799 757 E CB -0.089 29.612 29.700 0.001 0.000 0.748 757 E HN 0.574 nan 8.360 nan 0.000 0.449 758 E N -0.135 120.089 120.200 0.039 0.000 2.077 758 E HA -0.197 4.159 4.350 0.010 0.000 0.193 758 E C 2.058 178.707 176.600 0.081 0.000 0.989 758 E CA 1.240 57.671 56.400 0.050 0.000 0.800 758 E CB -0.134 29.587 29.700 0.035 0.000 0.746 758 E HN 0.122 nan 8.360 nan 0.000 0.452 759 S N 0.291 116.039 115.700 0.080 0.000 2.368 759 S HA -0.129 4.347 4.470 0.010 0.000 0.225 759 S C 1.975 176.666 174.600 0.151 0.000 1.030 759 S CA 0.867 59.129 58.200 0.102 0.000 0.999 759 S CB -0.360 62.885 63.200 0.074 0.000 0.844 759 S HN 0.421 nan 8.310 nan 0.000 0.459 760 L N 1.261 122.566 121.223 0.138 0.000 2.012 760 L HA -0.161 4.185 4.340 0.010 0.000 0.210 760 L C 2.351 179.381 176.870 0.267 0.000 1.073 760 L CA 2.112 57.065 54.840 0.188 0.000 0.748 760 L CB -1.215 40.918 42.059 0.124 0.000 0.891 760 L HN 0.504 nan 8.230 nan 0.000 0.431 761 Q N -0.508 119.415 119.800 0.204 0.000 2.124 761 Q HA -0.265 4.081 4.340 0.010 0.000 0.202 761 Q C 2.030 178.196 176.000 0.276 0.000 0.977 761 Q CA 1.805 57.748 55.803 0.232 0.000 0.850 761 Q CB -0.111 28.705 28.738 0.130 0.000 0.901 761 Q HN 0.584 nan 8.270 nan 0.000 0.429 762 E N 0.022 120.357 120.200 0.224 0.000 2.077 762 E HA -0.240 4.116 4.350 0.010 0.000 0.193 762 E C 1.660 178.411 176.600 0.250 0.000 0.989 762 E CA 1.017 57.540 56.400 0.204 0.000 0.800 762 E CB -0.096 29.704 29.700 0.167 0.000 0.746 762 E HN 0.450 nan 8.360 nan 0.000 0.452 763 Y N -0.345 120.068 120.300 0.187 0.000 2.286 763 Y HA -0.154 4.402 4.550 0.010 0.000 0.293 763 Y C 1.992 178.057 175.900 0.274 0.000 1.124 763 Y CA 1.524 59.742 58.100 0.196 0.000 1.178 763 Y CB -0.242 38.320 38.460 0.171 0.000 1.010 763 Y HN 0.159 nan 8.280 nan 0.000 0.536 764 F N 1.343 121.452 119.950 0.265 0.000 2.095 764 F HA -0.225 4.308 4.527 0.010 0.000 0.298 764 F C 2.432 178.347 175.800 0.192 0.000 1.104 764 F CA 2.276 60.447 58.000 0.285 0.000 1.232 764 F CB -0.543 38.657 39.000 0.333 0.000 0.987 764 F HN -0.094 nan 8.300 nan 0.000 0.475 765 K N -0.061 120.435 120.400 0.160 0.000 2.063 765 K HA -0.280 4.046 4.320 0.010 0.000 0.208 765 K C 2.127 178.657 176.600 -0.116 0.000 1.048 765 K CA 1.953 58.248 56.287 0.014 0.000 0.928 765 K CB -0.273 32.309 32.500 0.137 0.000 0.713 765 K HN 0.286 nan 8.250 nan 0.000 0.442 766 E N 0.032 120.170 120.200 -0.102 0.000 2.046 766 E HA -0.141 4.215 4.350 0.010 0.000 0.190 766 E C 1.679 178.147 176.600 -0.220 0.000 0.982 766 E CA 1.140 57.453 56.400 -0.146 0.000 0.800 766 E CB -0.336 29.287 29.700 -0.128 0.000 0.756 766 E HN 0.347 nan 8.360 nan 0.000 0.449 767 F N 1.345 121.007 119.950 -0.481 0.000 2.126 767 F HA -0.165 4.368 4.527 0.010 0.000 0.299 767 F C 2.243 177.818 175.800 -0.375 0.000 1.096 767 F CA 1.976 59.679 58.000 -0.494 0.000 1.255 767 F CB -0.036 38.561 39.000 -0.672 0.000 0.997 767 F HN 0.106 nan 8.300 nan 0.000 0.479 768 E N 0.186 120.128 120.200 -0.430 0.000 2.153 768 E HA -0.292 4.064 4.350 0.010 0.000 0.194 768 E C 2.133 178.666 176.600 -0.110 0.000 0.988 768 E CA 1.333 57.501 56.400 -0.387 0.000 0.811 768 E CB -0.104 29.273 29.700 -0.538 0.000 0.746 768 E HN 0.405 nan 8.360 nan 0.000 0.466 769 K N -0.150 120.150 120.400 -0.166 0.000 2.167 769 K HA -0.068 4.258 4.320 0.010 0.000 0.203 769 K C 1.544 178.039 176.600 -0.176 0.000 1.052 769 K CA 1.130 57.342 56.287 -0.126 0.000 0.956 769 K CB 0.369 32.800 32.500 -0.114 0.000 0.735 769 K HN 0.015 nan 8.250 nan 0.000 0.451 770 E N -0.283 119.779 120.200 -0.231 0.000 2.460 770 E HA -0.037 4.320 4.350 0.010 0.000 0.200 770 E C 1.564 177.942 176.600 -0.371 0.000 1.011 770 E CA 0.084 56.322 56.400 -0.269 0.000 0.912 770 E CB 0.068 29.644 29.700 -0.207 0.000 0.953 770 E HN 0.398 nan 8.360 nan 0.000 0.494 771 F N 1.931 121.505 119.950 -0.627 0.000 2.250 771 F HA -0.025 4.508 4.527 0.010 0.000 0.301 771 F C 1.819 177.417 175.800 -0.336 0.000 1.077 771 F CA 0.830 58.410 58.000 -0.700 0.000 1.348 771 F CB -0.428 37.899 39.000 -1.120 0.000 1.040 771 F HN -0.197 nan 8.300 nan 0.000 0.509 772 R N 0.542 120.246 120.500 -1.327 0.000 2.293 772 R HA -0.092 4.254 4.340 0.010 0.000 0.219 772 R C 1.794 177.733 176.300 -0.603 0.000 1.091 772 R CA 1.333 56.711 56.100 -1.205 0.000 1.004 772 R CB -0.465 29.052 30.300 -1.305 0.000 0.865 772 R HN 0.546 nan 8.270 nan 0.000 0.469 773 Q N 0.123 119.687 119.800 -0.394 0.000 2.424 773 Q HA 0.094 4.440 4.340 0.010 0.000 0.204 773 Q C 0.071 176.018 176.000 -0.088 0.000 0.933 773 Q CA 0.120 55.797 55.803 -0.210 0.000 0.929 773 Q CB 0.283 28.914 28.738 -0.179 0.000 1.037 773 Q HN 0.268 nan 8.270 nan 0.000 0.511 774 L N 2.079 123.267 121.223 -0.059 0.000 2.456 774 L HA 0.008 4.354 4.340 0.010 0.000 0.272 774 L C 0.720 177.645 176.870 0.091 0.000 1.189 774 L CA -0.309 54.550 54.840 0.032 0.000 0.846 774 L CB 0.159 42.261 42.059 0.072 0.000 1.111 774 L HN 0.248 nan 8.230 nan 0.000 0.475 775 N N 1.820 120.567 118.700 0.078 0.000 2.458 775 N HA -0.130 4.616 4.740 0.010 0.000 0.258 775 N C 0.956 176.529 175.510 0.106 0.000 1.219 775 N CA 0.075 53.190 53.050 0.110 0.000 0.902 775 N CB 0.690 39.208 38.487 0.051 0.000 1.076 775 N HN 0.611 nan 8.380 nan 0.000 0.455 776 Y N 3.460 123.775 120.300 0.024 0.000 2.256 776 Y HA -0.139 4.417 4.550 0.010 0.000 0.288 776 Y C 1.907 177.809 175.900 0.004 0.000 1.155 776 Y CA 0.910 59.017 58.100 0.012 0.000 1.203 776 Y CB -0.220 38.234 38.460 -0.010 0.000 0.980 776 Y HN 0.492 nan 8.280 nan 0.000 0.530 777 I N 1.189 121.288 120.570 -0.785 0.000 2.252 777 I HA -0.265 3.911 4.170 0.010 0.000 0.245 777 I C 2.736 178.585 176.117 -0.446 0.000 1.102 777 I CA 1.629 62.461 61.300 -0.780 0.000 1.385 777 I CB -0.529 37.024 38.000 -0.744 0.000 1.064 777 I HN 0.503 nan 8.210 nan 0.000 0.414 778 S N 1.433 117.005 115.700 -0.214 0.000 2.474 778 S HA -0.102 4.374 4.470 0.010 0.000 0.235 778 S C 1.665 176.260 174.600 -0.008 0.000 0.997 778 S CA 0.894 59.054 58.200 -0.068 0.000 0.949 778 S CB -0.619 62.583 63.200 0.003 0.000 0.766 778 S HN 0.662 nan 8.310 nan 0.000 0.517 779 I N -1.872 118.692 120.570 -0.009 0.000 4.154 779 I HA 0.598 4.774 4.170 0.010 0.000 0.334 779 I C 0.598 176.735 176.117 0.033 0.000 1.371 779 I CA -0.759 60.579 61.300 0.063 0.000 1.110 779 I CB 0.054 38.139 38.000 0.142 0.000 1.085 779 I HN 0.229 nan 8.210 nan 0.000 0.398 780 A N 1.343 124.130 122.820 -0.054 0.000 2.388 780 A HA 0.612 4.938 4.320 0.010 0.000 0.257 780 A C 0.484 178.067 177.584 -0.001 0.000 1.095 780 A CA -0.067 51.945 52.037 -0.042 0.000 0.791 780 A CB 0.379 19.248 19.000 -0.219 0.000 1.029 780 A HN 0.381 nan 8.150 nan 0.000 0.489 781 S N -0.187 115.538 115.700 0.041 0.000 2.614 781 S HA 0.489 4.965 4.470 0.010 0.000 0.265 781 S C -0.045 174.570 174.600 0.025 0.000 1.303 781 S CA -0.414 57.809 58.200 0.040 0.000 1.000 781 S CB 1.025 64.256 63.200 0.051 0.000 0.935 781 S HN 0.610 nan 8.310 nan 0.000 0.551 782 V N 1.275 121.176 119.914 -0.021 0.000 2.735 782 V HA 0.773 4.899 4.120 0.010 0.000 0.310 782 V C -0.229 175.775 176.094 -0.150 0.000 1.061 782 V CA -0.487 61.748 62.300 -0.107 0.000 0.913 782 V CB 1.990 33.735 31.823 -0.130 0.000 1.005 782 V HN 0.803 nan 8.190 nan 0.000 0.428 783 S N 1.973 117.547 115.700 -0.210 0.000 2.537 783 S HA 0.578 5.054 4.470 0.010 0.000 0.270 783 S C -0.494 173.957 174.600 -0.248 0.000 1.142 783 S CA -0.413 57.619 58.200 -0.280 0.000 0.870 783 S CB 2.054 64.966 63.200 -0.480 0.000 1.112 783 S HN 0.726 nan 8.310 nan 0.000 0.466 784 S N 2.018 117.586 115.700 -0.220 0.000 2.579 784 S HA 0.579 5.055 4.470 0.010 0.000 0.275 784 S C -0.043 174.519 174.600 -0.063 0.000 1.345 784 S CA -0.151 57.972 58.200 -0.130 0.000 1.031 784 S CB 0.957 64.105 63.200 -0.087 0.000 0.892 784 S HN 0.970 nan 8.310 nan 0.000 0.529 785 A N 3.703 126.532 122.820 0.015 0.000 2.586 785 A HA 0.516 4.842 4.320 0.010 0.000 0.320 785 A C -0.353 177.257 177.584 0.043 0.000 1.281 785 A CA -0.906 51.197 52.037 0.110 0.000 0.775 785 A CB 0.177 19.213 19.000 0.060 0.000 1.122 785 A HN 0.707 nan 8.150 nan 0.000 0.470 786 N N 1.219 119.948 118.700 0.048 0.000 2.443 786 N HA 0.293 5.039 4.740 0.010 0.000 0.293 786 N C -0.099 175.306 175.510 -0.176 0.000 1.159 786 N CA -0.498 52.516 53.050 -0.060 0.000 0.904 786 N CB 0.990 39.452 38.487 -0.042 0.000 1.214 786 N HN 0.511 nan 8.380 nan 0.000 0.513 787 N N 0.349 118.849 118.700 -0.333 0.000 2.727 787 N HA -0.168 4.578 4.740 0.010 0.000 0.249 787 N C 0.793 176.255 175.510 -0.079 0.000 1.048 787 N CA 0.169 53.020 53.050 -0.330 0.000 0.714 787 N CB -1.200 36.961 38.487 -0.545 0.000 0.959 787 N HN 0.586 nan 8.380 nan 0.000 0.544 788 I N -0.765 119.780 120.570 -0.042 0.000 2.264 788 I HA -0.287 3.889 4.170 0.010 0.000 0.248 788 I C 2.257 178.378 176.117 0.007 0.000 1.111 788 I CA 1.569 62.871 61.300 0.003 0.000 1.382 788 I CB -0.207 37.786 38.000 -0.012 0.000 1.060 788 I HN 0.402 nan 8.210 nan 0.000 0.418 789 A N 0.818 123.621 122.820 -0.029 0.000 1.898 789 A HA -0.249 4.077 4.320 0.010 0.000 0.216 789 A C 2.420 179.960 177.584 -0.074 0.000 1.181 789 A CA 1.816 53.833 52.037 -0.034 0.000 0.620 789 A CB -0.538 18.445 19.000 -0.028 0.000 0.819 789 A HN 0.375 nan 8.150 nan 0.000 0.442 790 K N -1.447 118.857 120.400 -0.160 0.000 2.113 790 K HA -0.189 4.137 4.320 0.010 0.000 0.208 790 K C 1.150 177.527 176.600 -0.372 0.000 1.047 790 K CA 1.879 57.973 56.287 -0.322 0.000 0.928 790 K CB -0.288 31.891 32.500 -0.535 0.000 0.716 790 K HN 0.622 nan 8.250 nan 0.000 0.446 791 Y N 0.162 120.428 120.300 -0.057 0.000 2.457 791 Y HA 0.118 4.674 4.550 0.011 0.000 0.263 791 Y C 0.104 175.987 175.900 -0.028 0.000 1.164 791 Y CA -0.567 57.506 58.100 -0.045 0.000 1.274 791 Y CB 0.497 38.913 38.460 -0.073 0.000 1.097 791 Y HN -0.003 nan 8.280 nan 0.000 0.523 792 D N 1.186 121.628 120.400 0.071 0.000 2.347 792 D HA 0.214 4.860 4.640 0.010 0.000 0.235 792 D C -0.957 175.371 176.300 0.047 0.000 1.149 792 D CA 0.108 54.137 54.000 0.048 0.000 0.850 792 D CB 1.132 41.942 40.800 0.017 0.000 1.061 792 D HN -0.145 nan 8.370 nan 0.000 0.487 793 V N 3.594 123.558 119.914 0.082 0.000 2.266 793 V HA 0.406 4.532 4.120 0.010 0.000 0.271 793 V C 1.209 177.386 176.094 0.139 0.000 1.032 793 V CA -0.408 61.946 62.300 0.091 0.000 0.806 793 V CB 0.956 32.834 31.823 0.092 0.000 1.052 793 V HN 0.809 nan 8.190 nan 0.000 0.449 794 G N 3.362 112.223 108.800 0.102 0.000 2.283 794 G HA2 0.011 3.977 3.960 0.010 0.000 0.280 794 G HA3 0.011 3.977 3.960 0.010 0.000 0.280 794 G C 1.127 176.103 174.900 0.127 0.000 1.029 794 G CA 0.656 45.831 45.100 0.126 0.000 0.840 794 G HN 2.210 nan 8.290 nan 0.000 0.505 795 G N -2.872 105.933 108.800 0.007 0.000 2.157 795 G HA2 -0.106 3.860 3.960 0.010 0.000 0.248 795 G HA3 -0.106 3.860 3.960 0.010 0.000 0.248 795 G C 0.168 174.801 174.900 -0.445 0.000 0.979 795 G CA 0.526 45.503 45.100 -0.205 0.000 0.650 795 G HN 1.288 nan 8.290 nan 0.000 0.529 796 F N 0.191 120.148 119.950 0.011 0.000 2.577 796 F HA 0.619 5.152 4.527 0.011 0.000 0.318 796 F C -2.241 173.569 175.800 0.016 0.000 1.065 796 F CA -2.633 55.372 58.000 0.008 0.000 0.929 796 F CB 2.054 41.057 39.000 0.006 0.000 1.237 796 F HN -0.220 nan 8.300 nan 0.000 0.468 797 P HA 0.174 nan 4.420 nan 0.000 0.267 797 P C -0.012 177.371 177.300 0.139 0.000 1.209 797 P CA 0.031 63.206 63.100 0.125 0.000 0.763 797 P CB 0.469 32.214 31.700 0.074 0.000 0.816 798 G N 4.464 113.358 108.800 0.156 0.000 2.535 798 G HA2 0.406 4.372 3.960 0.010 0.000 0.282 798 G HA3 0.406 4.372 3.960 0.010 0.000 0.282 798 G C -2.460 172.532 174.900 0.152 0.000 1.350 798 G CA -1.365 43.821 45.100 0.143 0.000 1.039 798 G HN 0.294 nan 8.290 nan 0.000 0.509 799 P HA 0.214 nan 4.420 nan 0.000 0.268 799 P C -0.292 177.117 177.300 0.181 0.000 1.204 799 P CA 0.137 63.308 63.100 0.119 0.000 0.768 799 P CB 0.538 32.291 31.700 0.088 0.000 0.842 800 K N -1.215 119.252 120.400 0.111 0.000 3.209 800 K HA -0.194 4.132 4.320 0.010 0.000 0.289 800 K C 0.045 176.602 176.600 -0.071 0.000 1.191 800 K CA 0.149 56.484 56.287 0.080 0.000 0.851 800 K CB -2.239 30.348 32.500 0.144 0.000 1.242 800 K HN 0.511 nan 8.250 nan 0.000 0.480 801 C N 2.070 121.296 119.300 -0.124 0.000 2.638 801 C HA 0.176 4.642 4.460 0.010 0.000 0.410 801 C C -1.536 173.214 174.990 -0.401 0.000 1.404 801 C CA -1.559 57.191 59.018 -0.447 0.000 1.651 801 C CB -0.504 27.137 27.740 -0.166 0.000 2.495 801 C HN 0.211 nan 8.230 nan 0.000 0.606 802 P HA 0.069 nan 4.420 nan 0.000 0.269 802 P C 0.521 177.702 177.300 -0.198 0.000 1.209 802 P CA -0.029 62.883 63.100 -0.314 0.000 0.776 802 P CB 0.240 31.688 31.700 -0.421 0.000 0.876 803 F N 2.817 122.697 119.950 -0.116 0.000 2.120 803 F HA -0.289 4.244 4.527 0.011 0.000 0.300 803 F C 2.453 178.229 175.800 -0.039 0.000 1.095 803 F CA 2.003 59.976 58.000 -0.045 0.000 1.249 803 F CB -0.356 38.657 39.000 0.022 0.000 0.995 803 F HN 0.499 nan 8.300 nan 0.000 0.480 804 H N -0.764 118.336 119.070 0.050 0.000 2.423 804 H HA -0.086 4.476 4.556 0.010 0.000 0.297 804 H C 2.183 177.441 175.328 -0.117 0.000 1.075 804 H CA 1.563 57.583 56.048 -0.047 0.000 1.342 804 H CB -0.921 28.838 29.762 -0.005 0.000 1.395 804 H HN 0.250 nan 8.280 nan 0.000 0.530 805 I N 1.596 121.772 120.570 -0.657 0.000 2.315 805 I HA -0.154 4.022 4.170 0.010 0.000 0.248 805 I C 2.869 178.834 176.117 -0.254 0.000 1.117 805 I CA 0.772 61.813 61.300 -0.433 0.000 1.404 805 I CB -0.976 36.732 38.000 -0.487 0.000 1.071 805 I HN 0.226 nan 8.210 nan 0.000 0.419 806 R N 1.183 121.517 120.500 -0.276 0.000 2.091 806 R HA -0.170 4.176 4.340 0.010 0.000 0.238 806 R C 2.366 178.542 176.300 -0.207 0.000 1.136 806 R CA 1.877 57.846 56.100 -0.219 0.000 0.959 806 R CB -0.539 29.606 30.300 -0.259 0.000 0.856 806 R HN 0.383 nan 8.270 nan 0.000 0.437 807 G N 0.847 109.490 108.800 -0.262 0.000 2.422 807 G HA2 -0.225 3.741 3.960 0.010 0.000 0.218 807 G HA3 -0.225 3.741 3.960 0.010 0.000 0.218 807 G C 1.465 176.333 174.900 -0.053 0.000 1.146 807 G CA 0.885 45.879 45.100 -0.175 0.000 0.769 807 G HN 0.304 nan 8.290 nan 0.000 0.547 808 I N 0.259 120.797 120.570 -0.054 0.000 2.252 808 I HA -0.090 4.086 4.170 0.010 0.000 0.245 808 I C 2.648 178.797 176.117 0.053 0.000 1.102 808 I CA 0.581 61.892 61.300 0.019 0.000 1.385 808 I CB -0.155 37.833 38.000 -0.020 0.000 1.064 808 I HN 0.121 nan 8.210 nan 0.000 0.414 809 L N -0.082 121.126 121.223 -0.025 0.000 2.083 809 L HA -0.193 4.153 4.340 0.010 0.000 0.209 809 L C 2.609 179.435 176.870 -0.074 0.000 1.083 809 L CA 1.415 56.220 54.840 -0.058 0.000 0.752 809 L CB -1.004 41.003 42.059 -0.087 0.000 0.899 809 L HN 0.251 nan 8.230 nan 0.000 0.433 810 T N -1.150 113.376 114.554 -0.046 0.000 2.684 810 T HA -0.277 4.079 4.350 0.010 0.000 0.267 810 T C 1.713 176.445 174.700 0.053 0.000 1.036 810 T CA 1.677 63.768 62.100 -0.015 0.000 1.148 810 T CB -0.445 68.408 68.868 -0.025 0.000 0.863 810 T HN 0.299 nan 8.240 nan 0.000 0.436 811 Y N 2.846 123.120 120.300 -0.044 0.000 2.128 811 Y HA -0.219 4.337 4.550 0.009 0.000 0.284 811 Y C 2.194 178.098 175.900 0.007 0.000 1.154 811 Y CA 1.472 59.571 58.100 -0.003 0.000 1.149 811 Y CB -0.557 37.921 38.460 0.031 0.000 0.976 811 Y HN 0.122 nan 8.280 nan 0.000 0.505 812 N N 0.200 118.909 118.700 0.016 0.000 2.223 812 N HA -0.136 4.610 4.740 0.010 0.000 0.185 812 N C 1.814 177.244 175.510 -0.133 0.000 1.016 812 N CA 1.445 54.447 53.050 -0.079 0.000 0.863 812 N CB -0.326 38.154 38.487 -0.012 0.000 0.983 812 N HN 0.448 nan 8.380 nan 0.000 0.429 813 R N 0.212 120.633 120.500 -0.131 0.000 2.115 813 R HA 0.140 4.486 4.340 0.010 0.000 0.226 813 R C 1.904 178.146 176.300 -0.098 0.000 1.100 813 R CA 1.036 57.052 56.100 -0.140 0.000 0.980 813 R CB -0.144 30.039 30.300 -0.195 0.000 0.875 813 R HN 0.165 nan 8.270 nan 0.000 0.445 814 A N 1.425 124.204 122.820 -0.068 0.000 2.067 814 A HA -0.033 4.294 4.320 0.010 0.000 0.217 814 A C 1.920 179.433 177.584 -0.120 0.000 1.156 814 A CA 0.742 52.767 52.037 -0.020 0.000 0.683 814 A CB -0.271 18.855 19.000 0.209 0.000 0.808 814 A HN 0.434 nan 8.150 nan 0.000 0.455 815 I N -4.138 116.286 120.570 -0.242 0.000 3.976 815 I HA 0.285 4.461 4.170 0.010 0.000 0.337 815 I C 0.562 176.591 176.117 -0.147 0.000 1.359 815 I CA -0.462 60.693 61.300 -0.243 0.000 1.098 815 I CB 0.010 37.749 38.000 -0.434 0.000 1.027 815 I HN -0.046 nan 8.210 nan 0.000 0.394 816 K N 2.529 122.858 120.400 -0.119 0.000 2.530 816 K HA 0.093 4.419 4.320 0.010 0.000 0.280 816 K C 1.265 177.833 176.600 -0.053 0.000 1.004 816 K CA 1.617 57.858 56.287 -0.078 0.000 1.071 816 K CB 0.083 32.541 32.500 -0.070 0.000 0.876 816 K HN 0.623 nan 8.250 nan 0.000 0.487 817 G N 3.666 112.446 108.800 -0.035 0.000 2.454 817 G HA2 -0.275 3.691 3.960 0.010 0.000 0.225 817 G HA3 -0.275 3.691 3.960 0.010 0.000 0.225 817 G C 0.063 174.955 174.900 -0.013 0.000 1.138 817 G CA -0.054 45.034 45.100 -0.019 0.000 0.667 817 G HN 0.735 nan 8.290 nan 0.000 0.512 818 N N 1.381 120.066 118.700 -0.024 0.000 2.399 818 N HA 0.196 4.942 4.740 0.010 0.000 0.284 818 N C 1.281 176.793 175.510 0.004 0.000 1.283 818 N CA 0.427 53.469 53.050 -0.013 0.000 0.972 818 N CB 0.799 39.271 38.487 -0.025 0.000 1.328 818 N HN 0.499 nan 8.380 nan 0.000 0.486 819 I N 1.779 122.360 120.570 0.018 0.000 2.830 819 I HA -0.190 3.986 4.170 0.010 0.000 0.263 819 I C 1.777 177.922 176.117 0.047 0.000 1.230 819 I CA 0.915 62.237 61.300 0.037 0.000 1.480 819 I CB 0.189 38.214 38.000 0.042 0.000 1.095 819 I HN 0.465 nan 8.210 nan 0.000 0.455 820 D N 1.055 121.476 120.400 0.035 0.000 2.289 820 D HA -0.014 4.632 4.640 0.010 0.000 0.207 820 D C 1.045 177.382 176.300 0.063 0.000 0.966 820 D CA 0.174 54.198 54.000 0.041 0.000 0.868 820 D CB -0.125 40.690 40.800 0.026 0.000 0.943 820 D HN 0.226 nan 8.370 nan 0.000 0.514 821 A N 1.893 124.746 122.820 0.056 0.000 2.462 821 A HA 0.342 4.668 4.320 0.010 0.000 0.243 821 A C -2.265 175.399 177.584 0.134 0.000 1.076 821 A CA -0.928 51.156 52.037 0.078 0.000 0.773 821 A CB -0.230 18.781 19.000 0.018 0.000 1.010 821 A HN 0.024 nan 8.150 nan 0.000 0.493 822 P HA 0.089 nan 4.420 nan 0.000 0.263 822 P C -0.619 176.845 177.300 0.275 0.000 1.195 822 P CA 0.320 63.550 63.100 0.216 0.000 0.762 822 P CB 0.418 32.260 31.700 0.236 0.000 0.799 823 Q N 1.845 121.752 119.800 0.178 0.000 2.243 823 Q HA 0.276 4.623 4.340 0.010 0.000 0.252 823 Q C -0.239 175.820 176.000 0.099 0.000 0.909 823 Q CA -0.811 55.093 55.803 0.169 0.000 0.922 823 Q CB 1.296 30.091 28.738 0.094 0.000 1.215 823 Q HN 0.192 nan 8.270 nan 0.000 0.427 824 V N 2.977 122.960 119.914 0.114 0.000 2.479 824 V HA 0.058 4.184 4.120 0.010 0.000 0.281 824 V C 0.209 176.289 176.094 -0.023 0.000 1.031 824 V CA -0.204 62.098 62.300 0.003 0.000 1.038 824 V CB 0.835 32.656 31.823 -0.004 0.000 0.981 824 V HN 0.441 nan 8.190 nan 0.000 0.478 825 V N 4.692 124.563 119.914 -0.071 0.000 2.432 825 V HA 0.213 4.340 4.120 0.010 0.000 0.275 825 V C 0.407 176.462 176.094 -0.065 0.000 1.043 825 V CA -0.735 61.513 62.300 -0.087 0.000 0.925 825 V CB 1.398 33.134 31.823 -0.145 0.000 0.985 825 V HN 0.997 nan 8.190 nan 0.000 0.466 826 E N 4.180 124.354 120.200 -0.043 0.000 2.585 826 E HA 0.263 4.619 4.350 0.010 0.000 0.252 826 E C 1.197 177.781 176.600 -0.027 0.000 0.981 826 E CA 1.327 57.712 56.400 -0.026 0.000 0.943 826 E CB -0.041 29.654 29.700 -0.008 0.000 0.923 826 E HN 1.033 nan 8.360 nan 0.000 0.486 827 G N 3.557 112.345 108.800 -0.019 0.000 2.195 827 G HA2 -0.238 3.728 3.960 0.010 0.000 0.246 827 G HA3 -0.238 3.728 3.960 0.010 0.000 0.246 827 G C 0.215 175.084 174.900 -0.052 0.000 0.984 827 G CA 0.272 45.362 45.100 -0.017 0.000 0.633 827 G HN 0.553 nan 8.290 nan 0.000 0.525 828 E N 0.277 120.435 120.200 -0.070 0.000 2.561 828 E HA 0.539 4.895 4.350 0.010 0.000 0.254 828 E C 0.306 176.839 176.600 -0.111 0.000 1.213 828 E CA -0.386 55.958 56.400 -0.093 0.000 0.995 828 E CB 0.622 30.256 29.700 -0.110 0.000 1.233 828 E HN 0.364 nan 8.360 nan 0.000 0.556 829 K N 0.492 120.799 120.400 -0.155 0.000 2.123 829 K HA 0.434 4.760 4.320 0.010 0.000 0.259 829 K C -0.474 175.931 176.600 -0.326 0.000 0.960 829 K CA -0.668 55.486 56.287 -0.222 0.000 0.872 829 K CB 1.725 34.078 32.500 -0.245 0.000 1.079 829 K HN 0.279 nan 8.250 nan 0.000 0.440 830 V N -0.606 119.102 119.914 -0.342 0.000 2.769 830 V HA 0.457 4.583 4.120 0.010 0.000 0.312 830 V C -0.979 174.787 176.094 -0.546 0.000 1.061 830 V CA -1.102 60.932 62.300 -0.444 0.000 0.931 830 V CB 0.863 32.522 31.823 -0.272 0.000 1.010 830 V HN 0.514 nan 8.190 nan 0.000 0.433 831 Y N 1.992 121.820 120.300 -0.787 0.000 2.336 831 Y HA 0.661 5.218 4.550 0.011 0.000 0.331 831 Y C 0.441 175.920 175.900 -0.701 0.000 1.211 831 Y CA -0.527 57.006 58.100 -0.946 0.000 1.346 831 Y CB 1.446 38.828 38.460 -1.797 0.000 1.271 831 Y HN 0.578 nan 8.280 nan 0.000 0.538 832 V N 4.996 124.818 119.914 -0.153 0.000 2.686 832 V HA 0.491 4.617 4.120 0.010 0.000 0.306 832 V C -0.620 175.570 176.094 0.160 0.000 1.065 832 V CA -1.048 61.277 62.300 0.043 0.000 0.894 832 V CB 2.035 33.922 31.823 0.107 0.000 1.004 832 V HN 0.539 nan 8.190 nan 0.000 0.424 833 L N 6.071 127.436 121.223 0.238 0.000 2.401 833 L HA 0.625 4.971 4.340 0.010 0.000 0.266 833 L C -2.543 174.436 176.870 0.182 0.000 0.991 833 L CA -1.774 53.196 54.840 0.217 0.000 0.818 833 L CB 3.496 45.704 42.059 0.248 0.000 1.321 833 L HN 0.423 nan 8.230 nan 0.000 0.413 834 P HA 0.262 nan 4.420 nan 0.000 0.278 834 P C -1.310 176.074 177.300 0.139 0.000 1.238 834 P CA -0.471 62.761 63.100 0.220 0.000 0.794 834 P CB 1.569 33.409 31.700 0.234 0.000 0.955 835 L N 2.940 124.248 121.223 0.142 0.000 2.346 835 L HA 0.445 4.791 4.340 0.010 0.000 0.274 835 L C 1.069 178.060 176.870 0.203 0.000 1.007 835 L CA -0.827 54.111 54.840 0.163 0.000 0.818 835 L CB 1.048 43.179 42.059 0.121 0.000 1.284 835 L HN 0.338 nan 8.230 nan 0.000 0.424 836 R N 0.981 121.658 120.500 0.296 0.000 2.694 836 R HA 0.124 4.470 4.340 0.010 0.000 0.268 836 R C -0.001 176.467 176.300 0.279 0.000 1.061 836 R CA -0.479 55.809 56.100 0.313 0.000 1.133 836 R CB 0.520 31.057 30.300 0.395 0.000 1.020 836 R HN 0.570 nan 8.270 nan 0.000 0.475 837 E N 0.248 120.577 120.200 0.214 0.000 2.502 837 E HA -0.059 4.297 4.350 0.010 0.000 0.261 837 E C 0.544 177.223 176.600 0.133 0.000 0.974 837 E CA 1.059 57.545 56.400 0.143 0.000 0.936 837 E CB 0.288 30.063 29.700 0.126 0.000 0.926 837 E HN 0.778 nan 8.360 nan 0.000 0.459 838 G N 3.298 112.096 108.800 -0.002 0.000 2.147 838 G HA2 -0.334 3.632 3.960 0.010 0.000 0.244 838 G HA3 -0.334 3.632 3.960 0.010 0.000 0.244 838 G C -0.130 174.470 174.900 -0.499 0.000 1.005 838 G CA 0.475 45.513 45.100 -0.104 0.000 0.713 838 G HN 0.796 nan 8.290 nan 0.000 0.515 839 N N 0.007 118.293 118.700 -0.691 0.000 2.444 839 N HA 0.545 5.291 4.740 0.010 0.000 0.255 839 N C -0.667 174.390 175.510 -0.755 0.000 1.255 839 N CA -1.163 51.091 53.050 -1.326 0.000 0.933 839 N CB 0.906 38.963 38.487 -0.716 0.000 1.143 839 N HN 0.065 nan 8.380 nan 0.000 0.453 840 P HA -0.052 nan 4.420 nan 0.000 0.234 840 P C 0.118 177.122 177.300 -0.494 0.000 1.167 840 P CA 0.889 63.654 63.100 -0.558 0.000 0.763 840 P CB -0.062 31.285 31.700 -0.589 0.000 0.835 841 F N 0.137 119.947 119.950 -0.234 0.000 2.710 841 F HA 0.282 4.814 4.527 0.009 0.000 0.298 841 F C 1.930 177.675 175.800 -0.092 0.000 1.137 841 F CA 0.902 58.823 58.000 -0.130 0.000 1.444 841 F CB -0.906 38.036 39.000 -0.095 0.000 1.111 841 F HN 0.026 nan 8.300 nan 0.000 0.580 842 G N 0.506 109.320 108.800 0.024 0.000 2.160 842 G HA2 -0.258 3.708 3.960 0.010 0.000 0.251 842 G HA3 -0.258 3.708 3.960 0.010 0.000 0.251 842 G C -0.317 174.627 174.900 0.073 0.000 1.008 842 G CA 0.503 45.624 45.100 0.034 0.000 0.724 842 G HN 0.379 nan 8.290 nan 0.000 0.514 843 D N -1.678 118.761 120.400 0.066 0.000 2.665 843 D HA 0.290 4.936 4.640 0.010 0.000 0.287 843 D C 1.264 177.583 176.300 0.032 0.000 1.266 843 D CA -0.150 53.879 54.000 0.048 0.000 0.830 843 D CB 0.500 41.322 40.800 0.037 0.000 1.356 843 D HN 0.143 nan 8.370 nan 0.000 0.437 844 K N -0.877 119.535 120.400 0.019 0.000 2.459 844 K HA 0.223 4.549 4.320 0.010 0.000 0.193 844 K C 0.540 177.155 176.600 0.026 0.000 1.030 844 K CA 0.161 56.483 56.287 0.059 0.000 1.026 844 K CB -0.439 32.138 32.500 0.127 0.000 0.809 844 K HN 0.429 nan 8.250 nan 0.000 0.504 845 C N -1.393 117.841 119.300 -0.110 0.000 3.311 845 C HA 0.752 5.218 4.460 0.010 0.000 0.325 845 C C -1.200 173.689 174.990 -0.167 0.000 1.352 845 C CA -1.421 57.495 59.018 -0.171 0.000 1.308 845 C CB 0.725 28.130 27.740 -0.557 0.000 1.619 845 C HN 0.387 nan 8.230 nan 0.000 0.469 846 I N 1.288 121.798 120.570 -0.100 0.000 2.769 846 I HA 0.776 4.952 4.170 0.010 0.000 0.298 846 I C -0.354 175.823 176.117 0.101 0.000 1.128 846 I CA -0.367 60.899 61.300 -0.057 0.000 1.031 846 I CB 2.067 39.938 38.000 -0.215 0.000 1.235 846 I HN 1.321 nan 8.210 nan 0.000 0.423 847 A N 5.641 128.528 122.820 0.112 0.000 2.435 847 A HA 0.877 5.203 4.320 0.010 0.000 0.304 847 A C -1.872 175.736 177.584 0.039 0.000 1.064 847 A CA -0.459 51.633 52.037 0.091 0.000 0.727 847 A CB 1.121 20.097 19.000 -0.039 0.000 1.284 847 A HN 0.883 nan 8.150 nan 0.000 0.415 848 W N 0.328 121.435 121.300 -0.321 0.000 3.075 848 W HA 0.711 5.376 4.660 0.008 0.000 0.334 848 W C -3.403 172.920 176.519 -0.327 0.000 1.243 848 W CA -2.608 54.383 57.345 -0.589 0.000 1.170 848 W CB 0.384 29.541 29.460 -0.505 0.000 1.452 848 W HN 0.420 nan 8.180 nan 0.000 0.572 849 P HA 0.040 nan 4.420 nan 0.000 0.264 849 P C 0.250 177.255 177.300 -0.493 0.000 1.193 849 P CA 0.444 63.368 63.100 -0.293 0.000 0.763 849 P CB 0.823 32.459 31.700 -0.106 0.000 0.810 850 S N 2.498 117.763 115.700 -0.726 0.000 2.584 850 S HA 0.386 4.863 4.470 0.010 0.000 0.270 850 S C 1.381 175.568 174.600 -0.689 0.000 1.346 850 S CA 0.279 57.728 58.200 -1.252 0.000 1.018 850 S CB -0.137 62.324 63.200 -1.231 0.000 0.899 850 S HN 0.933 nan 8.310 nan 0.000 0.542 851 G N 0.484 108.933 108.800 -0.584 0.000 2.184 851 G HA2 -0.214 3.752 3.960 0.010 0.000 0.264 851 G HA3 -0.214 3.752 3.960 0.010 0.000 0.264 851 G C 0.242 175.215 174.900 0.121 0.000 0.975 851 G CA 0.659 45.695 45.100 -0.106 0.000 0.642 851 G HN 1.871 nan 8.290 nan 0.000 0.536 852 T N -2.246 112.437 114.554 0.214 0.000 2.907 852 T HA 0.670 5.026 4.350 0.010 0.000 0.292 852 T C -0.363 174.643 174.700 0.510 0.000 1.043 852 T CA -0.738 61.540 62.100 0.296 0.000 1.003 852 T CB 2.618 71.634 68.868 0.247 0.000 1.084 852 T HN 0.125 nan 8.240 nan 0.000 0.483 853 E N 1.336 121.748 120.200 0.353 0.000 2.392 853 E HA 0.163 4.519 4.350 0.010 0.000 0.264 853 E C 0.069 176.834 176.600 0.275 0.000 1.024 853 E CA -0.193 56.418 56.400 0.352 0.000 0.903 853 E CB 1.216 31.047 29.700 0.218 0.000 0.963 853 E HN 0.647 nan 8.360 nan 0.000 0.432 854 I N 1.949 122.519 120.570 0.000 0.000 2.648 854 I HA -0.087 4.089 4.170 0.010 0.000 0.284 854 I C 0.928 176.989 176.117 -0.094 0.000 1.153 854 I CA 0.354 61.405 61.300 -0.416 0.000 1.426 854 I CB 0.813 38.139 38.000 -1.124 0.000 1.381 854 I HN 0.380 nan 8.210 nan 0.000 0.571 855 T N 4.903 119.475 114.554 0.031 0.000 2.923 855 T HA -0.088 4.268 4.350 0.010 0.000 0.304 855 T C 1.000 175.705 174.700 0.009 0.000 1.044 855 T CA 0.016 62.154 62.100 0.064 0.000 1.141 855 T CB 0.198 69.136 68.868 0.117 0.000 1.023 855 T HN 0.670 nan 8.240 nan 0.000 0.533 856 D N 3.764 124.171 120.400 0.012 0.000 2.309 856 D HA -0.058 4.588 4.640 0.010 0.000 0.212 856 D C 2.073 178.373 176.300 -0.001 0.000 0.968 856 D CA 0.583 54.579 54.000 -0.005 0.000 0.882 856 D CB 0.032 40.834 40.800 0.003 0.000 0.918 856 D HN 0.565 nan 8.370 nan 0.000 0.503 857 L N 0.409 121.638 121.223 0.010 0.000 2.051 857 L HA -0.180 4.166 4.340 0.010 0.000 0.214 857 L C 2.039 178.919 176.870 0.016 0.000 1.076 857 L CA 1.327 56.170 54.840 0.005 0.000 0.758 857 L CB -0.175 41.883 42.059 -0.002 0.000 0.890 857 L HN 0.165 nan 8.230 nan 0.000 0.433 858 I N -6.039 114.554 120.570 0.038 0.000 3.994 858 I HA 0.129 4.305 4.170 0.010 0.000 0.323 858 I C 1.599 177.758 176.117 0.071 0.000 1.501 858 I CA -0.217 61.150 61.300 0.113 0.000 1.112 858 I CB 0.073 38.224 38.000 0.252 0.000 1.254 858 I HN -0.046 nan 8.210 nan 0.000 0.495 859 K N 1.789 122.167 120.400 -0.037 0.000 2.057 859 K HA -0.144 4.182 4.320 0.010 0.000 0.206 859 K C 1.293 177.817 176.600 -0.126 0.000 1.050 859 K CA 2.108 58.301 56.287 -0.157 0.000 0.935 859 K CB 0.076 32.465 32.500 -0.184 0.000 0.715 859 K HN 0.336 nan 8.250 nan 0.000 0.439 860 D N 1.185 121.558 120.400 -0.045 0.000 2.144 860 D HA -0.146 4.500 4.640 0.010 0.000 0.199 860 D C 1.482 177.833 176.300 0.086 0.000 0.984 860 D CA 1.060 55.052 54.000 -0.014 0.000 0.834 860 D CB -0.189 40.601 40.800 -0.018 0.000 0.955 860 D HN 0.288 nan 8.370 nan 0.000 0.465 861 D N 0.210 120.715 120.400 0.175 0.000 2.178 861 D HA -0.079 4.567 4.640 0.010 0.000 0.202 861 D C 2.300 178.935 176.300 0.557 0.000 0.974 861 D CA 0.278 54.511 54.000 0.388 0.000 0.841 861 D CB -0.027 40.948 40.800 0.292 0.000 0.953 861 D HN 0.081 nan 8.370 nan 0.000 0.478 862 V N 1.244 121.347 119.914 0.316 0.000 2.307 862 V HA -0.191 3.935 4.120 0.010 0.000 0.245 862 V C 2.667 178.789 176.094 0.047 0.000 1.045 862 V CA 1.040 63.392 62.300 0.087 0.000 1.024 862 V CB -0.432 31.259 31.823 -0.218 0.000 0.651 862 V HN 0.200 nan 8.190 nan 0.000 0.449 863 L N -0.442 120.753 121.223 -0.048 0.000 2.079 863 L HA -0.231 4.115 4.340 0.010 0.000 0.210 863 L C 2.594 179.501 176.870 0.061 0.000 1.081 863 L CA 1.999 56.806 54.840 -0.055 0.000 0.752 863 L CB -0.854 41.134 42.059 -0.118 0.000 0.896 863 L HN 0.516 nan 8.230 nan 0.000 0.433 864 H N -1.121 117.954 119.070 0.008 0.000 2.436 864 H HA -0.152 4.410 4.556 0.010 0.000 0.294 864 H C 1.424 176.631 175.328 -0.202 0.000 1.048 864 H CA 1.405 57.388 56.048 -0.109 0.000 1.353 864 H CB 0.184 29.852 29.762 -0.155 0.000 1.414 864 H HN 0.352 nan 8.280 nan 0.000 0.536 865 W N 0.683 122.024 121.300 0.069 0.000 3.220 865 W HA 0.262 4.929 4.660 0.011 0.000 0.328 865 W C 0.486 177.013 176.519 0.013 0.000 1.205 865 W CA -0.563 56.808 57.345 0.044 0.000 1.773 865 W CB 0.243 29.814 29.460 0.186 0.000 1.086 865 W HN -0.081 nan 8.180 nan 0.000 0.622 866 M N 1.868 121.534 119.600 0.110 0.000 2.336 866 M HA -0.107 4.379 4.480 0.010 0.000 0.371 866 M C 0.206 176.469 176.300 -0.061 0.000 1.542 866 M CA 0.945 56.208 55.300 -0.062 0.000 0.959 866 M CB 0.155 32.553 32.600 -0.335 0.000 2.033 866 M HN -0.180 nan 8.290 nan 0.000 0.472 867 D N 3.603 124.005 120.400 0.004 0.000 2.468 867 D HA 0.068 4.714 4.640 0.010 0.000 0.218 867 D C 0.274 176.622 176.300 0.081 0.000 1.155 867 D CA 0.087 54.141 54.000 0.089 0.000 0.924 867 D CB 0.226 41.109 40.800 0.138 0.000 1.029 867 D HN 0.444 nan 8.370 nan 0.000 0.515 868 Y N 1.145 121.518 120.300 0.121 0.000 2.224 868 Y HA -0.188 4.369 4.550 0.011 0.000 0.289 868 Y C 2.529 178.628 175.900 0.332 0.000 1.146 868 Y CA 1.082 59.312 58.100 0.216 0.000 1.182 868 Y CB -0.150 38.328 38.460 0.030 0.000 0.983 868 Y HN 0.289 nan 8.280 nan 0.000 0.524 869 T N -0.613 114.165 114.554 0.373 0.000 2.674 869 T HA -0.174 4.182 4.350 0.010 0.000 0.265 869 T C 2.130 176.932 174.700 0.170 0.000 1.039 869 T CA 1.632 63.889 62.100 0.261 0.000 1.150 869 T CB -0.744 68.234 68.868 0.183 0.000 0.864 869 T HN 0.088 nan 8.240 nan 0.000 0.427 870 V N 1.471 121.474 119.914 0.148 0.000 2.295 870 V HA -0.118 4.008 4.120 0.010 0.000 0.246 870 V C 2.412 178.559 176.094 0.088 0.000 1.049 870 V CA 1.397 63.758 62.300 0.102 0.000 1.024 870 V CB -0.667 31.220 31.823 0.106 0.000 0.648 870 V HN 0.382 nan 8.190 nan 0.000 0.447 871 L N -0.714 120.581 121.223 0.120 0.000 1.990 871 L HA -0.241 4.105 4.340 0.010 0.000 0.213 871 L C 2.398 179.318 176.870 0.083 0.000 1.072 871 L CA 2.033 56.941 54.840 0.112 0.000 0.755 871 L CB -0.275 41.871 42.059 0.145 0.000 0.889 871 L HN 0.339 nan 8.230 nan 0.000 0.432 872 L N -0.105 121.144 121.223 0.043 0.000 2.017 872 L HA -0.262 4.084 4.340 0.010 0.000 0.208 872 L C 2.496 179.373 176.870 0.011 0.000 1.073 872 L CA 2.123 56.878 54.840 -0.142 0.000 0.745 872 L CB -0.654 41.067 42.059 -0.564 0.000 0.894 872 L HN 0.402 nan 8.230 nan 0.000 0.432 873 E N -0.536 119.680 120.200 0.026 0.000 2.051 873 E HA -0.284 4.072 4.350 0.010 0.000 0.192 873 E C 2.149 178.746 176.600 -0.004 0.000 0.991 873 E CA 1.563 57.980 56.400 0.027 0.000 0.799 873 E CB -0.001 29.719 29.700 0.034 0.000 0.748 873 E HN 0.518 nan 8.360 nan 0.000 0.449 874 K N -0.624 119.773 120.400 -0.005 0.000 2.076 874 K HA -0.059 4.267 4.320 0.010 0.000 0.204 874 K C 2.299 178.878 176.600 -0.036 0.000 1.051 874 K CA 1.716 57.980 56.287 -0.039 0.000 0.949 874 K CB 0.028 32.492 32.500 -0.059 0.000 0.726 874 K HN 0.244 nan 8.250 nan 0.000 0.443 875 T N -2.224 112.340 114.554 0.016 0.000 3.044 875 T HA 0.042 4.398 4.350 0.010 0.000 0.255 875 T C 1.457 176.206 174.700 0.082 0.000 1.073 875 T CA 0.170 62.294 62.100 0.040 0.000 1.125 875 T CB -0.008 68.907 68.868 0.078 0.000 0.908 875 T HN 0.088 nan 8.240 nan 0.000 0.480 876 F N 0.799 120.700 119.950 -0.082 0.000 2.539 876 F HA 0.489 5.022 4.527 0.010 0.000 0.277 876 F C 1.754 177.454 175.800 -0.167 0.000 0.925 876 F CA -0.438 57.502 58.000 -0.100 0.000 1.193 876 F CB -0.012 38.977 39.000 -0.019 0.000 1.128 876 F HN -0.056 nan 8.300 nan 0.000 0.740 877 I N 0.750 121.249 120.570 -0.118 0.000 2.179 877 I HA -0.272 3.904 4.170 0.010 0.000 0.242 877 I C 2.399 178.277 176.117 -0.399 0.000 1.088 877 I CA 1.478 62.606 61.300 -0.286 0.000 1.357 877 I CB -0.472 37.516 38.000 -0.020 0.000 1.051 877 I HN 0.145 nan 8.210 nan 0.000 0.409 878 K N 0.776 121.021 120.400 -0.259 0.000 2.009 878 K HA -0.170 4.156 4.320 0.010 0.000 0.210 878 K C -0.480 175.894 176.600 -0.377 0.000 1.049 878 K CA 1.796 57.933 56.287 -0.250 0.000 0.929 878 K CB -0.847 31.560 32.500 -0.155 0.000 0.714 878 K HN 0.152 nan 8.250 nan 0.000 0.440 879 P HA -0.172 nan 4.420 nan 0.000 0.215 879 P C 1.254 177.790 177.300 -1.274 0.000 1.153 879 P CA 0.919 63.593 63.100 -0.709 0.000 0.853 879 P CB 0.032 31.390 31.700 -0.571 0.000 0.788 880 L N 0.373 120.909 121.223 -1.145 0.000 2.042 880 L HA -0.189 4.157 4.340 0.010 0.000 0.210 880 L C 2.304 178.709 176.870 -0.775 0.000 1.076 880 L CA 2.005 56.189 54.840 -1.093 0.000 0.749 880 L CB -1.330 40.084 42.059 -1.074 0.000 0.893 880 L HN -0.130 nan 8.230 nan 0.000 0.432 881 E N -0.417 119.389 120.200 -0.656 0.000 2.085 881 E HA -0.159 4.197 4.350 0.010 0.000 0.194 881 E C 2.130 178.582 176.600 -0.246 0.000 0.994 881 E CA 1.627 57.825 56.400 -0.336 0.000 0.801 881 E CB -0.883 28.689 29.700 -0.214 0.000 0.743 881 E HN 0.494 nan 8.360 nan 0.000 0.453 882 G N -0.468 108.141 108.800 -0.318 0.000 2.446 882 G HA2 -0.243 3.723 3.960 0.010 0.000 0.217 882 G HA3 -0.243 3.723 3.960 0.010 0.000 0.217 882 G C 1.233 176.108 174.900 -0.040 0.000 1.168 882 G CA 1.021 46.021 45.100 -0.166 0.000 0.771 882 G HN 0.274 nan 8.290 nan 0.000 0.551 883 F N 1.943 121.762 119.950 -0.218 0.000 2.102 883 F HA -0.060 4.473 4.527 0.010 0.000 0.298 883 F C 3.169 178.639 175.800 -0.550 0.000 1.105 883 F CA 1.398 59.143 58.000 -0.425 0.000 1.239 883 F CB -1.504 37.233 39.000 -0.437 0.000 0.991 883 F HN 0.278 nan 8.300 nan 0.000 0.474 884 T N -3.208 111.243 114.554 -0.172 0.000 2.857 884 T HA -0.137 4.219 4.350 0.010 0.000 0.266 884 T C 2.215 176.844 174.700 -0.118 0.000 1.048 884 T CA 1.263 63.269 62.100 -0.156 0.000 1.139 884 T CB -0.844 67.999 68.868 -0.043 0.000 0.874 884 T HN 0.231 nan 8.240 nan 0.000 0.455 885 S N 1.674 117.323 115.700 -0.084 0.000 2.368 885 S HA 0.024 4.500 4.470 0.010 0.000 0.225 885 S C 2.456 177.029 174.600 -0.045 0.000 1.030 885 S CA 1.285 59.453 58.200 -0.053 0.000 0.999 885 S CB -0.942 62.236 63.200 -0.036 0.000 0.844 885 S HN 0.731 nan 8.310 nan 0.000 0.459 886 A N 1.137 123.932 122.820 -0.042 0.000 1.898 886 A HA 0.327 4.653 4.320 0.010 0.000 0.216 886 A C 2.314 179.888 177.584 -0.017 0.000 1.181 886 A CA 1.624 53.670 52.037 0.015 0.000 0.620 886 A CB -1.178 17.886 19.000 0.105 0.000 0.819 886 A HN 0.860 nan 8.150 nan 0.000 0.442 887 A N -1.113 121.623 122.820 -0.140 0.000 2.238 887 A HA 0.246 4.572 4.320 0.010 0.000 0.208 887 A C 0.773 178.303 177.584 -0.090 0.000 1.177 887 A CA 0.642 52.603 52.037 -0.127 0.000 0.804 887 A CB -0.333 18.484 19.000 -0.305 0.000 0.823 887 A HN 0.423 nan 8.150 nan 0.000 0.482 888 K N -1.348 119.004 120.400 -0.079 0.000 3.096 888 K HA -0.197 4.129 4.320 0.010 0.000 0.266 888 K C -0.481 176.081 176.600 -0.065 0.000 1.043 888 K CA 1.205 57.454 56.287 -0.064 0.000 0.758 888 K CB -2.794 29.672 32.500 -0.057 0.000 1.260 888 K HN 0.668 nan 8.250 nan 0.000 0.481 889 L N -3.157 118.021 121.223 -0.074 0.000 2.277 889 L HA 0.747 5.093 4.340 0.010 0.000 0.254 889 L C -0.532 176.296 176.870 -0.070 0.000 1.044 889 L CA -0.853 53.949 54.840 -0.065 0.000 0.842 889 L CB 1.312 43.338 42.059 -0.054 0.000 1.422 889 L HN -0.122 nan 8.230 nan 0.000 0.422 890 D N -0.265 120.086 120.400 -0.083 0.000 2.256 890 D HA 0.251 4.897 4.640 0.010 0.000 0.246 890 D C -0.217 176.000 176.300 -0.138 0.000 1.042 890 D CA -0.118 53.791 54.000 -0.153 0.000 0.841 890 D CB 1.901 42.586 40.800 -0.192 0.000 1.223 890 D HN 0.823 nan 8.370 nan 0.000 0.470 891 Y N -0.192 119.968 120.300 -0.233 0.000 2.544 891 Y HA 0.293 4.849 4.550 0.010 0.000 0.286 891 Y C 0.206 175.932 175.900 -0.290 0.000 1.141 891 Y CA -0.044 57.866 58.100 -0.317 0.000 1.299 891 Y CB 0.295 38.398 38.460 -0.595 0.000 1.030 891 Y HN 0.116 nan 8.280 nan 0.000 0.543 892 E N 1.528 121.398 120.200 -0.549 0.000 2.234 892 E HA 0.221 4.578 4.350 0.010 0.000 0.266 892 E C -1.174 175.321 176.600 -0.175 0.000 0.877 892 E CA -1.109 55.120 56.400 -0.285 0.000 0.758 892 E CB 1.844 31.326 29.700 -0.364 0.000 1.170 892 E HN 0.082 nan 8.360 nan 0.000 0.415 893 K N 3.539 123.905 120.400 -0.056 0.000 2.436 893 K HA -0.010 4.316 4.320 0.010 0.000 0.282 893 K C -0.334 176.239 176.600 -0.046 0.000 1.044 893 K CA 0.039 56.305 56.287 -0.035 0.000 1.028 893 K CB 0.300 32.805 32.500 0.009 0.000 0.919 893 K HN 0.354 nan 8.250 nan 0.000 0.474 894 K N 2.520 122.889 120.400 -0.052 0.000 2.270 894 K HA 0.293 4.619 4.320 0.010 0.000 0.276 894 K C -0.418 176.178 176.600 -0.007 0.000 1.023 894 K CA -0.741 55.522 56.287 -0.041 0.000 0.955 894 K CB 1.151 33.623 32.500 -0.047 0.000 0.975 894 K HN 0.425 nan 8.250 nan 0.000 0.471 895 A N 2.146 124.968 122.820 0.003 0.000 2.450 895 A HA 0.290 4.617 4.320 0.010 0.000 0.255 895 A C 0.099 177.709 177.584 0.042 0.000 1.096 895 A CA -0.187 51.866 52.037 0.027 0.000 0.778 895 A CB -0.101 18.914 19.000 0.024 0.000 1.031 895 A HN 0.867 nan 8.150 nan 0.000 0.494 896 S N 1.463 117.209 115.700 0.076 0.000 2.745 896 S HA 0.571 5.047 4.470 0.010 0.000 0.306 896 S C 0.310 175.006 174.600 0.159 0.000 1.137 896 S CA -0.642 57.624 58.200 0.110 0.000 0.900 896 S CB 0.573 63.844 63.200 0.118 0.000 1.176 896 S HN 0.389 nan 8.310 nan 0.000 0.520 897 L N -0.029 121.314 121.223 0.200 0.000 2.456 897 L HA 0.289 4.635 4.340 0.010 0.000 0.224 897 L C 1.585 178.602 176.870 0.244 0.000 1.148 897 L CA 1.244 56.194 54.840 0.183 0.000 0.825 897 L CB -1.091 41.060 42.059 0.153 0.000 0.937 897 L HN 0.770 nan 8.230 nan 0.000 0.450 898 F N -0.294 119.748 119.950 0.153 0.000 2.558 898 F HA -0.092 4.441 4.527 0.010 0.000 0.298 898 F C 1.418 177.355 175.800 0.229 0.000 1.119 898 F CA 0.323 58.452 58.000 0.214 0.000 1.451 898 F CB -0.076 38.978 39.000 0.089 0.000 1.091 898 F HN 0.136 nan 8.300 nan 0.000 0.563 899 D N 0.121 120.688 120.400 0.279 0.000 2.396 899 D HA -0.054 4.592 4.640 0.010 0.000 0.255 899 D C 1.268 177.631 176.300 0.106 0.000 1.224 899 D CA 0.642 54.748 54.000 0.177 0.000 0.894 899 D CB -0.161 40.711 40.800 0.120 0.000 0.939 899 D HN 0.356 nan 8.370 nan 0.000 0.506 900 M N -0.770 118.890 119.600 0.099 0.000 2.414 900 M HA 0.179 4.665 4.480 0.010 0.000 0.357 900 M C -0.591 175.508 176.300 -0.335 0.000 1.059 900 M CA -0.148 55.078 55.300 -0.124 0.000 0.959 900 M CB 0.649 33.120 32.600 -0.216 0.000 1.522 900 M HN -0.199 nan 8.290 nan 0.000 0.551 901 F N -0.824 119.096 119.950 -0.050 0.000 2.908 901 F HA 0.358 4.891 4.527 0.010 0.000 0.355 901 F C 0.414 176.181 175.800 -0.054 0.000 1.367 901 F CA -0.667 57.293 58.000 -0.067 0.000 1.086 901 F CB 0.066 39.016 39.000 -0.083 0.000 1.702 901 F HN -0.221 nan 8.300 nan 0.000 0.463 902 D N 0.570 121.105 120.400 0.225 0.000 2.412 902 D HA 0.170 4.816 4.640 0.010 0.000 0.257 902 D C -0.481 175.904 176.300 0.141 0.000 1.217 902 D CA 0.860 54.896 54.000 0.060 0.000 0.897 902 D CB -0.374 40.489 40.800 0.105 0.000 1.132 902 D HN 0.290 nan 8.370 nan 0.000 0.493 903 F N 0.000 119.993 119.950 0.072 0.000 2.286 903 F HA 0.000 4.533 4.527 0.010 0.000 0.279 903 F CA 0.000 58.035 58.000 0.058 0.000 1.383 903 F CB 0.000 39.029 39.000 0.049 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574