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 1y77_1_A DATA FIRST_RESID 2 DATA SEQUENCE VGQQYSSAPL RTVKEVQFGL FSPEEVRAIS VAKIRFPETM DETQTRAKIG DATA SEQUENCE GLNDPRLGSI DRNLKcQTCQ EGMNEcPGHF GHIDLAKPVF HVGFIAKIKK DATA SEQUENCE VCECVCMHCG KLLLDEHNEL MRQALAIKDS KKRFAAIWTL CKTKMVCETD DATA SEQUENCE VPSEDDPTQL VSRGGCGNTQ PTIRKDGLKL VGSWKXXXXX XXXDEPELRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQALQKSGRP VKSIRARLKG KEGRIRGNLM GKRVDFSART DATA SEQUENCE VISGDPNLEL DQVGVPKSIA KTLTYPEVVT PYNIDRLTQL VRNGPNEHPG DATA SEQUENCE AKYVIRDSGD RIDLRYSKRA GDIQLQYGWK VERHIMDNDP VLFNRQPSLH DATA SEQUENCE KMSMMAHRVK VIPYSTFRLN LSVTSPYNAD FDGDEMNLHV PQSEETRAEL DATA SEQUENCE SQLCAVPLQI VSPQSNKPCM GIVQDTLCGI RKLTLRDTFI ELDQVLNMLY DATA SEQUENCE WVPDWDGVIP TPAIIKPKPL WSGKQILSVA IPNGIHLQRF DEGTTLLSPK DATA SEQUENCE DNGMLIIDGQ IIFGVVEKKT VGSSNGGLIH VVTREKGPQV CAKLFGNIQK DATA SEQUENCE VVNFWLLHNG FSTGIGDTIA DGPTMREITE TIAEAKKKVL DVTKEAQANL DATA SEQUENCE LTAKHGMTLR ESFEDNVVRF LNEARDKAGR LAEVNLKDLN NVKQMVMAGS DATA SEQUENCE KGSFINIAQM SACVGQQSVE GKRIAFGFVD RTLPHFSKDD YSPESKGFVE DATA SEQUENCE NSYLRGLTPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL XXXXXXXXXX KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVXXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMIDEESLV DATA SEQUENCE KYMP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.092 176.094 -0.004 0.000 1.182 2 V CA 0.000 62.294 62.300 -0.009 0.000 1.235 2 V CB 0.000 31.818 31.823 -0.009 0.000 1.184 3 G N 2.593 111.388 108.800 -0.007 0.000 2.383 3 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.229 3 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.229 3 G C 0.426 175.322 174.900 -0.007 0.000 1.089 3 G CA 1.503 46.599 45.100 -0.006 0.000 0.640 3 G HN 1.934 nan 8.290 nan 0.000 0.510 4 Q N -2.003 117.795 119.800 -0.003 0.000 0.668 4 Q HA -0.122 4.218 4.340 -0.000 0.000 0.252 4 Q C -0.273 175.739 176.000 0.019 0.000 1.085 4 Q CA 0.380 56.181 55.803 -0.003 0.000 0.540 4 Q CB -1.196 27.530 28.738 -0.019 0.000 4.969 4 Q HN 1.185 nan 8.270 nan 0.000 0.319 5 Q N -0.365 119.450 119.800 0.024 0.000 3.230 5 Q HA -0.238 4.102 4.340 -0.000 0.000 0.052 5 Q C -1.061 175.001 176.000 0.103 0.000 1.712 5 Q CA 1.433 57.267 55.803 0.051 0.000 0.241 5 Q CB -0.338 28.414 28.738 0.023 0.000 0.612 5 Q HN 0.446 nan 8.270 nan 0.000 0.330 6 Y N 2.001 122.290 120.300 -0.018 0.000 2.301 6 Y HA 0.440 4.990 4.550 -0.000 0.000 0.325 6 Y C -0.253 175.641 175.900 -0.011 0.000 1.203 6 Y CA -0.306 57.784 58.100 -0.015 0.000 1.255 6 Y CB 1.311 39.762 38.460 -0.015 0.000 1.232 6 Y HN 0.482 nan 8.280 nan 0.000 0.501 7 S N 2.303 117.743 115.700 -0.433 0.000 2.557 7 S HA 0.311 4.781 4.470 -0.000 0.000 0.291 7 S C 0.150 174.343 174.600 -0.678 0.000 1.116 7 S CA -0.216 57.670 58.200 -0.524 0.000 0.992 7 S CB 1.057 64.146 63.200 -0.186 0.000 1.028 7 S HN 0.885 nan 8.310 nan 0.000 0.484 8 S N 1.998 117.331 115.700 -0.611 0.000 2.595 8 S HA 0.222 4.692 4.470 -0.000 0.000 0.235 8 S C 0.873 175.394 174.600 -0.131 0.000 0.974 8 S CA 0.006 58.007 58.200 -0.331 0.000 0.942 8 S CB -0.776 62.296 63.200 -0.213 0.000 0.766 8 S HN 1.287 nan 8.310 nan 0.000 0.536 9 A N 3.724 126.469 122.820 -0.125 0.000 2.409 9 A HA 0.546 4.866 4.320 -0.000 0.000 0.267 9 A C -1.332 176.244 177.584 -0.013 0.000 1.127 9 A CA -1.530 50.474 52.037 -0.055 0.000 0.795 9 A CB -0.153 18.815 19.000 -0.053 0.000 1.061 9 A HN 0.425 nan 8.150 nan 0.000 0.502 10 P HA 0.274 nan 4.420 nan 0.000 0.270 10 P C -0.818 176.489 177.300 0.011 0.000 1.227 10 P CA -0.122 62.987 63.100 0.015 0.000 0.788 10 P CB 0.609 32.315 31.700 0.009 0.000 0.926 11 L N 0.712 121.945 121.223 0.017 0.000 2.381 11 L HA 0.570 4.910 4.340 -0.000 0.000 0.274 11 L C -0.364 176.509 176.870 0.004 0.000 0.988 11 L CA -0.404 54.442 54.840 0.011 0.000 0.824 11 L CB 1.719 43.790 42.059 0.020 0.000 1.263 11 L HN 0.342 nan 8.230 nan 0.000 0.410 12 R N 1.473 121.971 120.500 -0.004 0.000 2.987 12 R HA 0.735 5.075 4.340 -0.000 0.000 0.248 12 R C -0.919 175.373 176.300 -0.014 0.000 1.264 12 R CA -0.578 55.518 56.100 -0.008 0.000 1.026 12 R CB 1.872 32.166 30.300 -0.010 0.000 1.286 12 R HN 0.714 nan 8.270 nan 0.000 0.483 13 T N -1.681 112.862 114.554 -0.017 0.000 2.895 13 T HA 0.405 4.755 4.350 -0.000 0.000 0.283 13 T C 0.181 174.863 174.700 -0.030 0.000 1.014 13 T CA -0.769 61.318 62.100 -0.023 0.000 1.037 13 T CB 1.554 70.409 68.868 -0.021 0.000 1.006 13 T HN 0.134 nan 8.240 nan 0.000 0.468 14 V N 3.586 123.477 119.914 -0.038 0.000 2.572 14 V HA 0.162 4.282 4.120 -0.000 0.000 0.291 14 V C 1.116 177.181 176.094 -0.048 0.000 1.039 14 V CA 0.091 62.361 62.300 -0.051 0.000 1.055 14 V CB 0.665 32.451 31.823 -0.061 0.000 0.969 14 V HN 0.913 nan 8.190 nan 0.000 0.482 15 K N 3.009 123.379 120.400 -0.051 0.000 2.367 15 K HA 0.312 4.632 4.320 -0.000 0.000 0.198 15 K C 0.191 176.759 176.600 -0.054 0.000 1.132 15 K CA 0.269 56.530 56.287 -0.042 0.000 0.941 15 K CB 1.009 33.491 32.500 -0.030 0.000 1.052 15 K HN 0.693 nan 8.250 nan 0.000 0.507 16 E N 0.873 121.027 120.200 -0.076 0.000 2.369 16 E HA 0.416 4.766 4.350 -0.000 0.000 0.270 16 E C -1.290 175.209 176.600 -0.169 0.000 0.909 16 E CA -0.837 55.503 56.400 -0.100 0.000 0.775 16 E CB 3.128 32.780 29.700 -0.081 0.000 1.270 16 E HN -0.261 nan 8.360 nan 0.000 0.445 17 V N 2.290 122.057 119.914 -0.245 0.000 2.409 17 V HA 0.177 4.297 4.120 -0.000 0.000 0.290 17 V C -0.662 175.082 176.094 -0.584 0.000 1.017 17 V CA -0.838 61.198 62.300 -0.439 0.000 0.841 17 V CB 1.467 32.974 31.823 -0.526 0.000 1.003 17 V HN 0.545 nan 8.190 nan 0.000 0.426 18 Q N 4.035 123.509 119.800 -0.544 0.000 2.390 18 Q HA 0.451 4.791 4.340 -0.000 0.000 0.249 18 Q C -0.889 174.771 176.000 -0.566 0.000 0.996 18 Q CA -0.100 55.398 55.803 -0.509 0.000 0.899 18 Q CB 1.180 29.595 28.738 -0.537 0.000 1.216 18 Q HN 0.649 nan 8.270 nan 0.000 0.465 19 F N 1.336 121.169 119.950 -0.196 0.000 2.421 19 F HA 0.442 4.969 4.527 -0.000 0.000 0.358 19 F C 1.208 176.902 175.800 -0.177 0.000 1.115 19 F CA -0.292 57.604 58.000 -0.172 0.000 1.160 19 F CB 1.169 40.120 39.000 -0.081 0.000 1.123 19 F HN 0.462 nan 8.300 nan 0.000 0.508 20 G N 3.742 112.505 108.800 -0.061 0.000 3.211 20 G HA2 0.800 4.760 3.960 -0.000 0.000 0.262 20 G HA3 0.800 4.760 3.960 -0.000 0.000 0.262 20 G C -1.506 173.340 174.900 -0.090 0.000 1.352 20 G CA -0.827 44.216 45.100 -0.094 0.000 1.004 20 G HN 0.427 nan 8.290 nan 0.000 0.559 21 L N -0.366 120.780 121.223 -0.129 0.000 2.370 21 L HA 0.473 4.813 4.340 -0.000 0.000 0.266 21 L C -1.014 175.642 176.870 -0.357 0.000 1.002 21 L CA -0.717 54.067 54.840 -0.094 0.000 0.818 21 L CB 2.755 44.905 42.059 0.153 0.000 1.325 21 L HN 0.420 nan 8.230 nan 0.000 0.418 22 F N 1.029 120.800 119.950 -0.298 0.000 2.438 22 F HA 0.135 4.662 4.527 -0.000 0.000 0.356 22 F C 0.769 176.164 175.800 -0.675 0.000 1.099 22 F CA -0.512 57.240 58.000 -0.413 0.000 1.185 22 F CB 1.462 40.334 39.000 -0.215 0.000 1.115 22 F HN 0.458 nan 8.300 nan 0.000 0.526 23 S N 5.961 121.310 115.700 -0.584 0.000 2.465 23 S HA 0.173 4.643 4.470 -0.000 0.000 0.279 23 S C -1.640 172.964 174.600 0.007 0.000 1.201 23 S CA -1.402 56.452 58.200 -0.577 0.000 1.053 23 S CB 1.150 64.203 63.200 -0.245 0.000 0.953 23 S HN 0.455 nan 8.310 nan 0.000 0.488 24 P HA -0.247 nan 4.420 nan 0.000 0.219 24 P C 0.898 178.239 177.300 0.068 0.000 1.153 24 P CA 1.530 64.695 63.100 0.108 0.000 0.865 24 P CB 0.183 31.985 31.700 0.168 0.000 0.788 25 E N 0.101 120.379 120.200 0.129 0.000 2.038 25 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 25 E C 2.273 178.887 176.600 0.022 0.000 1.000 25 E CA 1.579 58.033 56.400 0.090 0.000 0.803 25 E CB -0.770 29.020 29.700 0.150 0.000 0.750 25 E HN 0.464 nan 8.360 nan 0.000 0.448 26 E N 0.315 120.531 120.200 0.026 0.000 2.031 26 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 26 E C 2.061 178.581 176.600 -0.133 0.000 0.994 26 E CA 1.482 57.884 56.400 0.004 0.000 0.800 26 E CB -0.020 29.750 29.700 0.116 0.000 0.752 26 E HN 0.056 nan 8.360 nan 0.000 0.447 27 V N 1.565 121.309 119.914 -0.283 0.000 2.277 27 V HA -0.394 3.726 4.120 -0.000 0.000 0.255 27 V C 2.505 178.437 176.094 -0.270 0.000 1.074 27 V CA 2.539 64.564 62.300 -0.459 0.000 1.058 27 V CB -0.719 30.895 31.823 -0.349 0.000 0.656 27 V HN 0.324 nan 8.190 nan 0.000 0.449 28 R N -0.217 120.155 120.500 -0.214 0.000 2.092 28 R HA -0.117 4.223 4.340 -0.000 0.000 0.226 28 R C 2.514 178.654 176.300 -0.266 0.000 1.140 28 R CA 1.459 57.350 56.100 -0.349 0.000 0.910 28 R CB -1.045 29.120 30.300 -0.225 0.000 0.822 28 R HN 0.496 nan 8.270 nan 0.000 0.433 29 A N 1.816 124.549 122.820 -0.146 0.000 1.899 29 A HA -0.304 4.016 4.320 -0.000 0.000 0.230 29 A C 2.245 179.779 177.584 -0.083 0.000 1.593 29 A CA 2.352 54.336 52.037 -0.087 0.000 0.728 29 A CB -1.183 17.795 19.000 -0.037 0.000 0.848 29 A HN 0.360 nan 8.150 nan 0.000 0.490 30 I N -0.601 119.919 120.570 -0.083 0.000 2.151 30 I HA -0.195 3.975 4.170 -0.000 0.000 0.243 30 I C 1.861 177.964 176.117 -0.023 0.000 1.080 30 I CA 1.085 62.355 61.300 -0.050 0.000 1.339 30 I CB -0.500 37.455 38.000 -0.074 0.000 1.039 30 I HN 0.448 nan 8.210 nan 0.000 0.409 31 S N -0.181 115.485 115.700 -0.056 0.000 2.572 31 S HA 0.035 4.505 4.470 -0.000 0.000 0.262 31 S C 0.645 175.254 174.600 0.015 0.000 1.375 31 S CA 0.387 58.594 58.200 0.013 0.000 0.996 31 S CB 1.040 64.234 63.200 -0.009 0.000 0.892 31 S HN 0.266 nan 8.310 nan 0.000 0.562 32 V N -0.574 119.382 119.914 0.069 0.000 3.415 32 V HA 0.739 4.859 4.120 -0.000 0.000 0.315 32 V C -0.139 176.000 176.094 0.074 0.000 1.516 32 V CA 0.175 62.504 62.300 0.047 0.000 1.122 32 V CB -0.196 31.644 31.823 0.029 0.000 0.988 32 V HN 0.903 nan 8.190 nan 0.000 0.474 33 A N 0.600 123.497 122.820 0.129 0.000 2.335 33 A HA 0.859 5.179 4.320 -0.000 0.000 0.304 33 A C 0.509 178.214 177.584 0.201 0.000 1.118 33 A CA -0.502 51.614 52.037 0.132 0.000 0.757 33 A CB 1.891 20.948 19.000 0.095 0.000 1.188 33 A HN 0.085 nan 8.150 nan 0.000 0.460 34 K N 1.427 121.910 120.400 0.139 0.000 2.062 34 K HA 0.150 4.470 4.320 -0.000 0.000 0.205 34 K C 0.438 177.031 176.600 -0.011 0.000 1.051 34 K CA 0.828 57.181 56.287 0.110 0.000 0.941 34 K CB -0.515 32.050 32.500 0.108 0.000 0.719 34 K HN 0.815 nan 8.250 nan 0.000 0.440 35 I N 1.332 121.926 120.570 0.040 0.000 7.277 35 I HA -0.391 3.779 4.170 -0.000 0.000 0.126 35 I C 0.605 176.723 176.117 0.002 0.000 1.720 35 I CA 0.226 61.540 61.300 0.024 0.000 2.268 35 I CB -0.603 37.373 38.000 -0.040 0.000 3.404 35 I HN 0.220 nan 8.210 nan 0.000 0.234 36 R N 1.736 122.294 120.500 0.096 0.000 2.195 36 R HA 0.252 4.592 4.340 -0.000 0.000 0.197 36 R C 0.311 176.524 176.300 -0.145 0.000 0.990 36 R CA 0.567 56.627 56.100 -0.068 0.000 1.048 36 R CB 0.300 30.498 30.300 -0.170 0.000 0.997 36 R HN 0.249 nan 8.270 nan 0.000 0.502 37 F N 1.148 121.080 119.950 -0.030 0.000 2.378 37 F HA 0.295 4.822 4.527 -0.000 0.000 0.325 37 F C -1.329 174.458 175.800 -0.021 0.000 1.097 37 F CA -2.741 55.246 58.000 -0.021 0.000 1.079 37 F CB 0.670 39.661 39.000 -0.015 0.000 1.240 37 F HN -0.167 nan 8.300 nan 0.000 0.519 38 P HA 0.070 nan 4.420 nan 0.000 0.252 38 P C -0.335 177.020 177.300 0.091 0.000 1.211 38 P CA 0.383 63.536 63.100 0.088 0.000 0.824 38 P CB 0.531 32.259 31.700 0.048 0.000 1.077 39 E N -0.109 120.159 120.200 0.113 0.000 2.435 39 E HA 0.072 4.422 4.350 -0.000 0.000 0.256 39 E C 0.712 177.348 176.600 0.059 0.000 1.245 39 E CA 0.357 56.803 56.400 0.076 0.000 0.989 39 E CB 0.278 30.018 29.700 0.068 0.000 0.983 39 E HN -0.033 nan 8.360 nan 0.000 0.480 40 T N -0.107 114.475 114.554 0.048 0.000 3.031 40 T HA 0.078 4.428 4.350 -0.000 0.000 0.236 40 T C 1.301 176.003 174.700 0.002 0.000 1.005 40 T CA 0.789 62.911 62.100 0.037 0.000 1.230 40 T CB 0.149 69.051 68.868 0.057 0.000 0.913 40 T HN 0.385 nan 8.240 nan 0.000 0.419 41 M N -0.232 119.367 119.600 -0.002 0.000 2.337 41 M HA 0.336 4.816 4.480 -0.000 0.000 0.277 41 M C -1.045 175.238 176.300 -0.028 0.000 2.156 41 M CA -0.593 54.693 55.300 -0.023 0.000 1.731 41 M CB 0.154 32.745 32.600 -0.015 0.000 1.843 41 M HN -0.205 nan 8.290 nan 0.000 0.885 42 D N 3.829 124.220 120.400 -0.016 0.000 4.554 42 D HA -0.134 4.506 4.640 -0.000 0.000 0.185 42 D C -0.723 175.561 176.300 -0.027 0.000 1.202 42 D CA 0.883 54.874 54.000 -0.014 0.000 0.870 42 D CB -0.431 40.369 40.800 0.000 0.000 1.028 42 D HN 0.450 nan 8.370 nan 0.000 0.550 43 E N 0.728 120.905 120.200 -0.039 0.000 2.860 43 E HA 0.055 4.405 4.350 -0.000 0.000 0.318 43 E C 0.135 176.717 176.600 -0.031 0.000 1.481 43 E CA -0.025 56.344 56.400 -0.051 0.000 1.613 43 E CB -0.225 29.441 29.700 -0.056 0.000 1.279 43 E HN 0.278 nan 8.360 nan 0.000 0.489 44 T N 1.033 115.575 114.554 -0.020 0.000 4.338 44 T HA -0.202 4.148 4.350 -0.000 0.000 0.345 44 T C 0.573 175.269 174.700 -0.006 0.000 0.755 44 T CA 0.629 62.724 62.100 -0.009 0.000 1.995 44 T CB -1.552 67.311 68.868 -0.009 0.000 1.873 44 T HN 0.700 nan 8.240 nan 0.000 0.944 45 Q N -2.290 117.507 119.800 -0.004 0.000 2.604 45 Q HA -0.200 4.139 4.340 -0.000 0.000 0.160 45 Q C 0.396 176.394 176.000 -0.004 0.000 1.724 45 Q CA 2.005 57.807 55.803 -0.001 0.000 1.083 45 Q CB -1.814 26.925 28.738 0.002 0.000 1.016 45 Q HN 0.753 nan 8.270 nan 0.000 0.939 46 T N 2.650 117.199 114.554 -0.009 0.000 2.866 46 T HA 0.060 4.410 4.350 -0.000 0.000 0.293 46 T C 0.319 175.011 174.700 -0.014 0.000 1.005 46 T CA 0.308 62.401 62.100 -0.012 0.000 1.162 46 T CB 0.265 69.123 68.868 -0.016 0.000 0.968 46 T HN 0.114 nan 8.240 nan 0.000 0.530 47 R N 1.990 122.484 120.500 -0.011 0.000 2.590 47 R HA 0.511 4.851 4.340 -0.000 0.000 0.274 47 R C 0.623 176.912 176.300 -0.019 0.000 1.061 47 R CA 0.107 56.200 56.100 -0.012 0.000 1.081 47 R CB 0.476 30.771 30.300 -0.008 0.000 0.984 47 R HN 0.861 nan 8.270 nan 0.000 0.448 48 A N 2.020 124.827 122.820 -0.022 0.000 3.880 48 A HA 0.166 4.486 4.320 -0.000 0.000 0.109 48 A C -1.497 176.068 177.584 -0.032 0.000 1.279 48 A CA -0.708 51.313 52.037 -0.027 0.000 1.275 48 A CB 0.393 19.374 19.000 -0.031 0.000 1.210 48 A HN 0.542 nan 8.150 nan 0.000 0.569 49 K N -0.169 120.205 120.400 -0.042 0.000 2.557 49 K HA 0.659 4.979 4.320 -0.000 0.000 0.261 49 K C -1.416 175.137 176.600 -0.078 0.000 0.932 49 K CA -0.447 55.810 56.287 -0.050 0.000 0.829 49 K CB 2.209 34.685 32.500 -0.039 0.000 1.358 49 K HN 0.572 nan 8.250 nan 0.000 0.430 50 I N 0.869 121.373 120.570 -0.110 0.000 2.532 50 I HA 0.161 4.331 4.170 -0.000 0.000 0.292 50 I C 1.370 177.373 176.117 -0.190 0.000 1.014 50 I CA -0.362 60.823 61.300 -0.192 0.000 1.340 50 I CB 1.195 39.012 38.000 -0.305 0.000 1.422 50 I HN 0.871 nan 8.210 nan 0.000 0.528 51 G N 3.784 112.458 108.800 -0.210 0.000 3.266 51 G HA2 0.199 4.159 3.960 -0.000 0.000 0.238 51 G HA3 0.199 4.159 3.960 -0.000 0.000 0.238 51 G C 0.701 175.525 174.900 -0.126 0.000 1.076 51 G CA 0.406 45.430 45.100 -0.127 0.000 1.804 51 G HN 0.961 nan 8.290 nan 0.000 0.600 52 G N -0.298 108.420 108.800 -0.138 0.000 2.478 52 G HA2 0.415 4.375 3.960 -0.000 0.000 0.211 52 G HA3 0.415 4.375 3.960 -0.000 0.000 0.211 52 G C 0.186 175.135 174.900 0.082 0.000 1.726 52 G CA -0.282 44.840 45.100 0.037 0.000 0.725 52 G HN 0.409 nan 8.290 nan 0.000 0.654 53 L N 0.953 122.199 121.223 0.040 0.000 2.322 53 L HA 0.403 4.743 4.340 -0.000 0.000 0.269 53 L C -0.544 176.326 176.870 0.000 0.000 1.012 53 L CA -0.673 54.182 54.840 0.026 0.000 0.815 53 L CB 1.559 43.638 42.059 0.033 0.000 1.295 53 L HN 0.713 nan 8.230 nan 0.000 0.438 54 N N 1.687 120.381 118.700 -0.010 0.000 2.726 54 N HA -0.260 4.480 4.740 -0.000 0.000 0.307 54 N C -0.411 175.090 175.510 -0.015 0.000 1.207 54 N CA 1.358 54.397 53.050 -0.019 0.000 0.728 54 N CB -0.699 37.771 38.487 -0.029 0.000 1.017 54 N HN 0.828 nan 8.380 nan 0.000 0.559 55 D N -0.869 119.527 120.400 -0.006 0.000 3.131 55 D HA -0.069 4.571 4.640 -0.000 0.000 0.204 55 D C -2.207 174.090 176.300 -0.006 0.000 1.027 55 D CA 0.334 54.333 54.000 -0.002 0.000 0.901 55 D CB -1.078 39.716 40.800 -0.010 0.000 1.049 55 D HN 0.548 nan 8.370 nan 0.000 0.453 56 P HA 0.192 nan 4.420 nan 0.000 0.252 56 P C 0.057 177.363 177.300 0.010 0.000 1.265 56 P CA 0.665 63.768 63.100 0.004 0.000 0.775 56 P CB 0.261 31.979 31.700 0.029 0.000 1.128 57 R N -4.643 115.863 120.500 0.010 0.000 1.920 57 R HA 0.004 4.344 4.340 -0.000 0.000 0.327 57 R C 0.370 176.691 176.300 0.034 0.000 0.345 57 R CA -0.119 55.986 56.100 0.007 0.000 1.282 57 R CB -1.501 28.796 30.300 -0.004 0.000 1.636 57 R HN 0.145 nan 8.270 nan 0.000 0.396 58 L N 0.390 121.646 121.223 0.055 0.000 2.440 58 L HA 0.238 4.578 4.340 -0.000 0.000 0.184 58 L C 1.961 178.906 176.870 0.125 0.000 1.111 58 L CA 0.647 55.549 54.840 0.104 0.000 0.910 58 L CB -0.351 41.734 42.059 0.044 0.000 1.455 58 L HN 0.176 nan 8.230 nan 0.000 0.523 59 G N -0.705 108.169 108.800 0.123 0.000 2.332 59 G HA2 0.247 4.207 3.960 -0.000 0.000 0.311 59 G HA3 0.247 4.207 3.960 -0.000 0.000 0.311 59 G C 0.057 174.984 174.900 0.045 0.000 1.392 59 G CA 0.482 45.641 45.100 0.099 0.000 1.110 59 G HN 0.797 nan 8.290 nan 0.000 0.594 60 S N -2.461 113.251 115.700 0.020 0.000 2.929 60 S HA 0.747 5.217 4.470 -0.000 0.000 0.311 60 S C -0.209 174.382 174.600 -0.015 0.000 1.213 60 S CA -0.375 57.826 58.200 0.001 0.000 0.908 60 S CB 1.049 64.252 63.200 0.005 0.000 1.287 60 S HN 0.644 nan 8.310 nan 0.000 0.594 61 I N -1.223 119.335 120.570 -0.020 0.000 4.380 61 I HA 0.411 4.581 4.170 -0.000 0.000 0.219 61 I C -0.539 175.562 176.117 -0.027 0.000 0.844 61 I CA -0.826 60.456 61.300 -0.030 0.000 1.753 61 I CB -0.054 37.923 38.000 -0.039 0.000 1.103 61 I HN 0.699 nan 8.210 nan 0.000 0.372 62 D N 2.300 122.681 120.400 -0.031 0.000 2.846 62 D HA -0.216 4.424 4.640 -0.000 0.000 0.223 62 D C -0.148 176.139 176.300 -0.021 0.000 1.171 62 D CA 1.007 54.991 54.000 -0.027 0.000 0.627 62 D CB -0.382 40.405 40.800 -0.023 0.000 1.052 62 D HN 0.429 nan 8.370 nan 0.000 0.415 63 R N -0.803 119.684 120.500 -0.021 0.000 3.158 63 R HA -0.202 4.138 4.340 -0.000 0.000 0.244 63 R C -0.703 175.589 176.300 -0.012 0.000 0.900 63 R CA 0.553 56.643 56.100 -0.016 0.000 0.618 63 R CB -1.464 28.826 30.300 -0.016 0.000 1.061 63 R HN 0.227 nan 8.270 nan 0.000 0.471 64 N N 1.105 119.799 118.700 -0.011 0.000 2.504 64 N HA 0.207 4.946 4.740 -0.000 0.000 0.280 64 N C 1.367 176.874 175.510 -0.005 0.000 1.052 64 N CA -0.569 52.476 53.050 -0.009 0.000 0.887 64 N CB 1.215 39.696 38.487 -0.010 0.000 1.323 64 N HN 0.028 nan 8.380 nan 0.000 0.509 65 L N 1.504 122.725 121.223 -0.004 0.000 2.229 65 L HA -0.340 4.000 4.340 -0.000 0.000 0.250 65 L C 0.548 177.420 176.870 0.003 0.000 1.110 65 L CA 1.613 56.452 54.840 -0.001 0.000 0.838 65 L CB -0.743 41.314 42.059 -0.004 0.000 0.962 65 L HN 0.530 nan 8.230 nan 0.000 0.437 66 K N -0.329 120.070 120.400 -0.002 0.000 2.371 66 K HA -0.238 4.082 4.320 -0.000 0.000 0.242 66 K C -0.219 176.385 176.600 0.007 0.000 1.060 66 K CA 0.512 56.796 56.287 -0.004 0.000 1.136 66 K CB -0.473 32.022 32.500 -0.008 0.000 0.721 66 K HN 0.455 nan 8.250 nan 0.000 0.481 67 c N 3.689 122.293 118.600 0.006 0.000 3.208 67 c HA 0.114 4.684 4.570 -0.000 0.000 0.250 67 c C -0.515 173.540 174.090 -0.058 0.000 2.195 67 c CA -0.232 56.115 56.329 0.030 0.000 1.303 67 c CB -0.910 41.660 42.510 0.100 0.000 2.376 67 c HN 1.033 nan 8.230 nan 0.000 0.545 68 Q N 0.194 119.957 119.800 -0.060 0.000 2.434 68 Q HA -0.161 4.179 4.340 -0.000 0.000 0.288 68 Q C 0.888 176.843 176.000 -0.075 0.000 1.372 68 Q CA 0.747 56.496 55.803 -0.091 0.000 0.731 68 Q CB -1.771 26.859 28.738 -0.180 0.000 1.126 68 Q HN 0.761 nan 8.270 nan 0.000 0.398 69 T N -3.040 111.488 114.554 -0.044 0.000 10.235 69 T HA -0.416 3.934 4.350 -0.000 0.000 0.395 69 T C 1.354 176.036 174.700 -0.030 0.000 1.613 69 T CA 1.749 63.830 62.100 -0.033 0.000 2.565 69 T CB -1.822 67.026 68.868 -0.033 0.000 2.818 69 T HN 0.900 nan 8.240 nan 0.000 1.101 70 C N 3.133 122.406 119.300 -0.044 0.000 2.370 70 C HA -0.145 4.315 4.460 -0.000 0.000 0.311 70 C C 2.075 177.067 174.990 0.003 0.000 1.407 70 C CA 1.679 60.682 59.018 -0.025 0.000 1.807 70 C CB -2.117 25.602 27.740 -0.035 0.000 1.782 70 C HN 0.891 nan 8.230 nan 0.000 0.565 71 Q N -0.340 119.460 119.800 -0.001 0.000 2.271 71 Q HA -0.427 3.913 4.340 -0.000 0.000 0.460 71 Q C 0.892 176.900 176.000 0.014 0.000 0.708 71 Q CA 2.170 57.976 55.803 0.004 0.000 0.880 71 Q CB -1.223 27.513 28.738 -0.003 0.000 3.274 71 Q HN 0.530 nan 8.270 nan 0.000 0.942 72 E N -1.217 118.988 120.200 0.008 0.000 5.150 72 E HA -0.295 4.055 4.350 -0.000 0.000 0.167 72 E C 0.858 177.463 176.600 0.008 0.000 1.196 72 E CA 2.671 59.076 56.400 0.008 0.000 2.189 72 E CB -2.033 27.676 29.700 0.016 0.000 1.820 72 E HN 1.753 nan 8.360 nan 0.000 0.420 73 G N 0.573 109.381 108.800 0.013 0.000 2.757 73 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.686 73 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.686 73 G C 0.859 175.762 174.900 0.006 0.000 1.452 73 G CA 0.955 46.060 45.100 0.009 0.000 0.922 73 G HN 0.204 nan 8.290 nan 0.000 0.588 74 M N 0.156 119.757 119.600 0.002 0.000 3.119 74 M HA -0.357 4.123 4.480 -0.000 0.000 0.281 74 M C 1.482 177.777 176.300 -0.008 0.000 0.634 74 M CA 2.621 57.917 55.300 -0.006 0.000 0.861 74 M CB -0.834 31.758 32.600 -0.014 0.000 1.664 74 M HN 0.798 nan 8.290 nan 0.000 0.513 75 N N 1.130 119.825 118.700 -0.009 0.000 2.401 75 N HA 0.137 4.877 4.740 -0.000 0.000 0.255 75 N C -0.151 175.356 175.510 -0.005 0.000 1.110 75 N CA 0.712 53.757 53.050 -0.010 0.000 0.949 75 N CB 0.979 39.459 38.487 -0.012 0.000 1.110 75 N HN 0.422 nan 8.380 nan 0.000 0.490 76 E N 2.221 122.418 120.200 -0.005 0.000 3.243 76 E HA -0.160 4.190 4.350 -0.000 0.000 0.333 76 E C -0.966 175.642 176.600 0.012 0.000 0.867 76 E CA 0.322 56.722 56.400 0.000 0.000 1.143 76 E CB -1.794 27.910 29.700 0.006 0.000 1.539 76 E HN 0.488 nan 8.360 nan 0.000 0.393 77 c N 1.006 119.611 118.600 0.009 0.000 2.863 77 c HA 0.466 5.036 4.570 -0.000 0.000 0.284 77 c C -1.485 172.565 174.090 -0.067 0.000 1.426 77 c CA -0.505 55.846 56.329 0.037 0.000 1.782 77 c CB -0.977 41.574 42.510 0.069 0.000 2.554 77 c HN 0.543 nan 8.230 nan 0.000 0.566 78 P HA -0.006 nan 4.420 nan 0.000 0.282 78 P C 0.604 177.730 177.300 -0.291 0.000 1.406 78 P CA 1.020 64.037 63.100 -0.138 0.000 1.018 78 P CB 0.251 31.885 31.700 -0.110 0.000 0.835 79 G N -1.336 107.339 108.800 -0.208 0.000 2.616 79 G HA2 0.259 4.219 3.960 -0.000 0.000 0.268 79 G HA3 0.259 4.219 3.960 -0.000 0.000 0.268 79 G C -0.520 174.134 174.900 -0.410 0.000 1.213 79 G CA -0.331 44.628 45.100 -0.234 0.000 0.926 79 G HN 0.632 nan 8.290 nan 0.000 0.523 80 H N 0.301 119.434 119.070 0.105 0.000 2.887 80 H HA 0.218 4.774 4.556 -0.000 0.000 0.300 80 H C -0.422 175.018 175.328 0.187 0.000 1.038 80 H CA -0.762 55.376 56.048 0.151 0.000 1.352 80 H CB 0.720 30.530 29.762 0.080 0.000 1.473 80 H HN 0.225 nan 8.280 nan 0.000 0.503 81 F N 1.531 121.526 119.950 0.075 0.000 2.647 81 F HA 0.104 4.631 4.527 -0.000 0.000 0.363 81 F C 1.559 177.392 175.800 0.056 0.000 1.130 81 F CA 1.142 59.171 58.000 0.047 0.000 1.351 81 F CB 0.524 39.531 39.000 0.013 0.000 1.026 81 F HN 0.542 nan 8.300 nan 0.000 0.607 82 G N 1.071 109.932 108.800 0.102 0.000 2.600 82 G HA2 0.614 4.574 3.960 -0.000 0.000 0.303 82 G HA3 0.614 4.574 3.960 -0.000 0.000 0.303 82 G C -1.671 173.331 174.900 0.170 0.000 1.253 82 G CA -0.715 44.457 45.100 0.120 0.000 0.974 82 G HN 0.900 nan 8.290 nan 0.000 0.483 83 H N -2.052 117.021 119.070 0.005 0.000 2.949 83 H HA 0.795 5.351 4.556 -0.000 0.000 0.356 83 H C -1.448 173.872 175.328 -0.013 0.000 1.212 83 H CA -1.240 54.802 56.048 -0.010 0.000 1.136 83 H CB 2.568 32.317 29.762 -0.021 0.000 1.869 83 H HN 0.553 nan 8.280 nan 0.000 0.556 84 I N 2.505 122.865 120.570 -0.350 0.000 2.598 84 I HA 0.080 4.249 4.170 -0.000 0.000 0.277 84 I C -1.257 174.725 176.117 -0.225 0.000 1.179 84 I CA -0.600 60.471 61.300 -0.381 0.000 1.081 84 I CB 1.002 38.885 38.000 -0.194 0.000 1.272 84 I HN 0.752 nan 8.210 nan 0.000 0.471 85 D N 8.042 128.296 120.400 -0.244 0.000 2.581 85 D HA 0.048 4.688 4.640 -0.000 0.000 0.238 85 D C 0.505 176.782 176.300 -0.039 0.000 1.145 85 D CA 0.579 54.544 54.000 -0.058 0.000 0.866 85 D CB 1.118 41.908 40.800 -0.017 0.000 1.151 85 D HN 0.430 nan 8.370 nan 0.000 0.500 86 L N 1.167 122.388 121.223 -0.003 0.000 2.464 86 L HA 0.141 4.481 4.340 -0.000 0.000 0.224 86 L C 1.751 178.629 176.870 0.013 0.000 1.219 86 L CA -0.357 54.485 54.840 0.005 0.000 0.831 86 L CB 0.260 42.335 42.059 0.026 0.000 1.284 86 L HN 0.444 nan 8.230 nan 0.000 0.522 87 A N -0.173 122.657 122.820 0.017 0.000 1.942 87 A HA 0.191 4.511 4.320 -0.000 0.000 0.209 87 A C 0.647 178.249 177.584 0.029 0.000 1.214 87 A CA 0.703 52.753 52.037 0.021 0.000 0.686 87 A CB 0.304 19.312 19.000 0.014 0.000 0.871 87 A HN 0.638 nan 8.150 nan 0.000 0.460 88 K N 0.148 120.568 120.400 0.032 0.000 2.523 88 K HA 0.369 4.689 4.320 -0.000 0.000 0.257 88 K C -3.071 173.562 176.600 0.055 0.000 0.932 88 K CA -2.250 54.061 56.287 0.040 0.000 0.812 88 K CB 2.430 34.949 32.500 0.032 0.000 1.326 88 K HN 0.010 nan 8.250 nan 0.000 0.433 89 P HA -0.071 nan 4.420 nan 0.000 0.263 89 P C -0.594 176.779 177.300 0.122 0.000 1.168 89 P CA 0.040 63.197 63.100 0.094 0.000 0.759 89 P CB 0.498 32.255 31.700 0.095 0.000 0.782 90 V N 3.328 123.336 119.914 0.156 0.000 3.001 90 V HA 0.389 4.509 4.120 -0.000 0.000 0.314 90 V C 0.416 176.727 176.094 0.362 0.000 1.099 90 V CA -0.730 61.694 62.300 0.207 0.000 0.989 90 V CB 1.471 33.382 31.823 0.145 0.000 1.040 90 V HN 0.308 nan 8.190 nan 0.000 0.434 91 F N 0.843 120.829 119.950 0.060 0.000 2.399 91 F HA 0.346 4.873 4.527 -0.000 0.000 0.313 91 F C 0.813 176.688 175.800 0.124 0.000 1.202 91 F CA -0.592 57.456 58.000 0.079 0.000 1.192 91 F CB 0.167 39.209 39.000 0.070 0.000 1.256 91 F HN 0.557 nan 8.300 nan 0.000 0.558 92 H N 1.315 120.436 119.070 0.086 0.000 2.439 92 H HA 0.337 4.893 4.556 -0.000 0.000 0.239 92 H C 0.828 176.083 175.328 -0.120 0.000 1.432 92 H CA -0.509 55.494 56.048 -0.075 0.000 1.373 92 H CB 0.358 29.977 29.762 -0.238 0.000 1.463 92 H HN 0.479 nan 8.280 nan 0.000 0.530 93 V N 2.294 122.245 119.914 0.061 0.000 2.404 93 V HA -0.437 3.683 4.120 -0.000 0.000 0.247 93 V C 2.194 178.210 176.094 -0.129 0.000 1.126 93 V CA 2.328 64.621 62.300 -0.011 0.000 1.096 93 V CB -1.408 30.420 31.823 0.008 0.000 0.919 93 V HN 0.773 nan 8.190 nan 0.000 0.464 94 G N -2.276 106.233 108.800 -0.486 0.000 2.603 94 G HA2 0.101 4.060 3.960 -0.000 0.000 0.214 94 G HA3 0.101 4.060 3.960 -0.000 0.000 0.214 94 G C 1.301 176.084 174.900 -0.196 0.000 1.140 94 G CA 0.506 45.383 45.100 -0.372 0.000 0.800 94 G HN 0.571 nan 8.290 nan 0.000 0.533 95 F N 0.397 120.063 119.950 -0.473 0.000 2.569 95 F HA 0.183 4.710 4.527 -0.000 0.000 0.295 95 F C 2.416 178.123 175.800 -0.154 0.000 1.115 95 F CA -0.446 57.393 58.000 -0.267 0.000 1.450 95 F CB 0.058 38.935 39.000 -0.206 0.000 1.107 95 F HN 0.033 nan 8.300 nan 0.000 0.563 96 I N 0.924 121.536 120.570 0.071 0.000 2.121 96 I HA -0.463 3.707 4.170 -0.000 0.000 0.243 96 I C 2.785 178.948 176.117 0.078 0.000 1.047 96 I CA 1.539 62.880 61.300 0.068 0.000 1.308 96 I CB -0.844 37.278 38.000 0.203 0.000 1.015 96 I HN 0.119 nan 8.210 nan 0.000 0.410 97 A N 0.013 122.883 122.820 0.084 0.000 1.971 97 A HA -0.311 4.009 4.320 -0.000 0.000 0.222 97 A C 2.370 179.990 177.584 0.060 0.000 1.182 97 A CA 2.341 54.418 52.037 0.067 0.000 0.649 97 A CB -0.537 18.491 19.000 0.047 0.000 0.818 97 A HN 0.447 nan 8.150 nan 0.000 0.458 98 K N -1.055 119.372 120.400 0.045 0.000 2.078 98 K HA 0.182 4.501 4.320 -0.000 0.000 0.203 98 K C 1.880 178.556 176.600 0.127 0.000 1.043 98 K CA 0.749 57.071 56.287 0.058 0.000 0.960 98 K CB -0.236 32.208 32.500 -0.094 0.000 0.761 98 K HN 0.469 nan 8.250 nan 0.000 0.448 99 I N 2.105 122.698 120.570 0.039 0.000 2.182 99 I HA -0.436 3.734 4.170 -0.000 0.000 0.248 99 I C 2.566 178.795 176.117 0.188 0.000 1.073 99 I CA 1.511 62.824 61.300 0.022 0.000 1.335 99 I CB -0.434 37.336 38.000 -0.384 0.000 1.031 99 I HN 0.299 nan 8.210 nan 0.000 0.420 100 K N 1.864 122.362 120.400 0.164 0.000 1.964 100 K HA -0.214 4.106 4.320 -0.000 0.000 0.218 100 K C 2.018 178.798 176.600 0.300 0.000 1.043 100 K CA 1.603 58.026 56.287 0.227 0.000 0.966 100 K CB -0.250 32.373 32.500 0.205 0.000 0.739 100 K HN 0.145 nan 8.250 nan 0.000 0.443 101 K N 0.402 120.992 120.400 0.316 0.000 2.259 101 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 101 K C 1.984 178.896 176.600 0.521 0.000 1.044 101 K CA 1.782 58.348 56.287 0.466 0.000 0.931 101 K CB -0.217 32.326 32.500 0.071 0.000 0.726 101 K HN 0.109 nan 8.250 nan 0.000 0.467 102 V N 0.384 120.559 119.914 0.435 0.000 2.323 102 V HA -0.275 3.845 4.120 -0.000 0.000 0.244 102 V C 2.440 178.651 176.094 0.194 0.000 1.041 102 V CA 1.565 64.071 62.300 0.343 0.000 1.025 102 V CB -0.484 31.489 31.823 0.249 0.000 0.656 102 V HN 0.423 nan 8.190 nan 0.000 0.451 103 C N 0.280 119.727 119.300 0.245 0.000 2.413 103 C HA -0.157 4.303 4.460 -0.000 0.000 0.276 103 C C 2.590 177.656 174.990 0.126 0.000 1.248 103 C CA 0.956 60.077 59.018 0.173 0.000 1.742 103 C CB -1.125 26.762 27.740 0.244 0.000 2.017 103 C HN 0.610 nan 8.230 nan 0.000 0.481 104 E N -1.071 119.230 120.200 0.168 0.000 2.463 104 E HA -0.176 4.174 4.350 -0.000 0.000 0.201 104 E C 1.820 178.441 176.600 0.034 0.000 1.045 104 E CA 0.707 57.155 56.400 0.081 0.000 0.872 104 E CB -0.123 29.641 29.700 0.106 0.000 0.797 104 E HN 0.675 nan 8.360 nan 0.000 0.538 105 C N 0.219 119.587 119.300 0.113 0.000 2.674 105 C HA 0.185 4.645 4.460 -0.000 0.000 0.276 105 C C 0.638 175.648 174.990 0.035 0.000 1.300 105 C CA -0.238 58.834 59.018 0.090 0.000 1.732 105 C CB 0.305 28.176 27.740 0.218 0.000 2.076 105 C HN -0.010 nan 8.230 nan 0.000 0.548 106 V N -0.581 119.340 119.914 0.011 0.000 2.925 106 V HA 0.383 4.503 4.120 -0.000 0.000 0.311 106 V C -0.635 175.459 176.094 -0.001 0.000 1.104 106 V CA -0.771 61.515 62.300 -0.022 0.000 0.954 106 V CB 1.551 33.316 31.823 -0.096 0.000 1.022 106 V HN 0.275 nan 8.190 nan 0.000 0.427 107 C N 5.937 125.246 119.300 0.015 0.000 2.366 107 C HA 0.679 5.139 4.460 -0.000 0.000 0.345 107 C C 0.688 175.701 174.990 0.037 0.000 1.209 107 C CA -0.744 58.306 59.018 0.053 0.000 2.050 107 C CB 0.699 28.493 27.740 0.091 0.000 2.359 107 C HN 0.839 nan 8.230 nan 0.000 0.527 108 M N 4.115 123.724 119.600 0.016 0.000 1.782 108 M HA 0.260 4.740 4.480 -0.000 0.000 0.199 108 M C 1.416 177.644 176.300 -0.120 0.000 1.314 108 M CA 0.756 55.981 55.300 -0.124 0.000 0.877 108 M CB -0.879 31.543 32.600 -0.296 0.000 1.222 108 M HN 0.926 nan 8.290 nan 0.000 0.419 109 H N -1.102 118.001 119.070 0.055 0.000 4.836 109 H HA -0.212 4.344 4.556 -0.000 0.000 0.067 109 H C 1.483 176.791 175.328 -0.034 0.000 0.594 109 H CA 2.362 58.416 56.048 0.011 0.000 0.978 109 H CB -1.590 28.175 29.762 0.006 0.000 0.436 109 H HN 0.883 nan 8.280 nan 0.000 0.790 110 C N 1.969 121.319 119.300 0.082 0.000 3.228 110 C HA 0.680 5.140 4.460 -0.000 0.000 0.290 110 C C 1.448 176.419 174.990 -0.032 0.000 1.301 110 C CA 0.998 60.008 59.018 -0.012 0.000 1.703 110 C CB -0.105 27.635 27.740 0.001 0.000 2.141 110 C HN 1.225 nan 8.230 nan 0.000 0.656 111 G N 2.038 110.834 108.800 -0.006 0.000 2.329 111 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.204 111 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.204 111 G C -0.569 174.304 174.900 -0.045 0.000 0.435 111 G CA 1.098 46.185 45.100 -0.022 0.000 0.977 111 G HN 1.113 nan 8.290 nan 0.000 0.366 112 K N 1.638 122.011 120.400 -0.044 0.000 2.642 112 K HA 0.446 4.766 4.320 -0.000 0.000 0.290 112 K C 0.649 177.229 176.600 -0.034 0.000 1.006 112 K CA -1.258 54.999 56.287 -0.049 0.000 0.869 112 K CB 1.004 33.483 32.500 -0.036 0.000 1.499 112 K HN 0.341 nan 8.250 nan 0.000 0.403 113 L N 2.207 123.412 121.223 -0.030 0.000 2.477 113 L HA -0.084 4.256 4.340 -0.000 0.000 0.289 113 L C 0.712 177.582 176.870 0.001 0.000 1.279 113 L CA 0.584 55.418 54.840 -0.010 0.000 0.825 113 L CB 0.094 42.152 42.059 -0.003 0.000 1.085 113 L HN 0.557 nan 8.230 nan 0.000 0.548 114 L N 2.447 123.673 121.223 0.005 0.000 3.168 114 L HA 0.415 4.755 4.340 -0.000 0.000 0.277 114 L C -0.687 176.188 176.870 0.008 0.000 1.245 114 L CA -0.018 54.826 54.840 0.006 0.000 1.035 114 L CB 0.100 42.157 42.059 -0.004 0.000 1.399 114 L HN 0.363 nan 8.230 nan 0.000 0.580 115 L N 0.086 121.319 121.223 0.016 0.000 2.795 115 L HA 0.357 4.697 4.340 -0.000 0.000 0.260 115 L C -1.491 175.392 176.870 0.022 0.000 0.935 115 L CA -0.318 54.535 54.840 0.022 0.000 0.985 115 L CB 2.495 44.559 42.059 0.009 0.000 1.433 115 L HN -0.015 nan 8.230 nan 0.000 0.447 116 D N 1.319 121.742 120.400 0.040 0.000 2.442 116 D HA 0.229 4.868 4.640 -0.000 0.000 0.254 116 D C 0.590 176.843 176.300 -0.078 0.000 1.069 116 D CA -0.527 53.464 54.000 -0.014 0.000 1.017 116 D CB 1.845 42.653 40.800 0.013 0.000 1.172 116 D HN 0.486 nan 8.370 nan 0.000 0.561 117 E N -0.187 119.902 120.200 -0.185 0.000 2.271 117 E HA -0.272 4.078 4.350 -0.000 0.000 0.209 117 E C 1.644 178.149 176.600 -0.159 0.000 1.046 117 E CA 1.555 57.840 56.400 -0.192 0.000 0.840 117 E CB -0.217 29.328 29.700 -0.258 0.000 0.738 117 E HN 0.410 nan 8.360 nan 0.000 0.470 118 H N 0.247 119.315 119.070 -0.002 0.000 2.252 118 H HA -0.106 4.450 4.556 -0.000 0.000 0.292 118 H C 1.133 176.459 175.328 -0.004 0.000 1.082 118 H CA 1.257 57.303 56.048 -0.004 0.000 1.229 118 H CB -0.833 28.926 29.762 -0.005 0.000 1.353 118 H HN 0.155 nan 8.280 nan 0.000 0.488 119 N N 1.791 120.559 118.700 0.115 0.000 2.447 119 N HA -0.101 4.639 4.740 -0.000 0.000 0.263 119 N C 1.140 176.668 175.510 0.030 0.000 1.226 119 N CA 0.286 53.370 53.050 0.057 0.000 0.906 119 N CB 1.063 39.572 38.487 0.037 0.000 1.060 119 N HN 0.441 nan 8.380 nan 0.000 0.468 120 E N 3.752 123.963 120.200 0.018 0.000 2.152 120 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 120 E C 1.598 178.203 176.600 0.007 0.000 0.983 120 E CA 0.551 56.957 56.400 0.011 0.000 0.818 120 E CB 0.147 29.854 29.700 0.011 0.000 0.758 120 E HN 0.677 nan 8.360 nan 0.000 0.467 121 L N 0.319 121.546 121.223 0.006 0.000 2.131 121 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 121 L C 2.545 179.418 176.870 0.005 0.000 1.092 121 L CA 0.674 55.516 54.840 0.004 0.000 0.759 121 L CB -0.250 41.808 42.059 -0.001 0.000 0.903 121 L HN 0.347 nan 8.230 nan 0.000 0.435 122 M N -0.046 119.557 119.600 0.005 0.000 2.132 122 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 122 M C 2.260 178.563 176.300 0.006 0.000 1.065 122 M CA 1.703 57.006 55.300 0.006 0.000 1.122 122 M CB -0.325 32.277 32.600 0.004 0.000 1.365 122 M HN -0.013 nan 8.290 nan 0.000 0.411 123 R N -0.300 120.201 120.500 0.001 0.000 2.103 123 R HA -0.218 4.122 4.340 -0.000 0.000 0.234 123 R C 2.203 178.508 176.300 0.007 0.000 1.132 123 R CA 2.301 58.401 56.100 -0.001 0.000 0.925 123 R CB -0.879 29.419 30.300 -0.002 0.000 0.842 123 R HN 0.568 nan 8.270 nan 0.000 0.430 124 Q N -0.230 119.575 119.800 0.009 0.000 2.308 124 Q HA -0.141 4.199 4.340 -0.000 0.000 0.209 124 Q C 1.746 177.757 176.000 0.018 0.000 0.985 124 Q CA 1.390 57.201 55.803 0.013 0.000 0.881 124 Q CB -0.069 28.677 28.738 0.012 0.000 0.917 124 Q HN 0.408 nan 8.270 nan 0.000 0.443 125 A N -0.178 122.653 122.820 0.019 0.000 2.251 125 A HA 0.115 4.435 4.320 -0.000 0.000 0.209 125 A C 1.497 179.102 177.584 0.035 0.000 1.187 125 A CA 0.198 52.252 52.037 0.028 0.000 0.823 125 A CB 0.186 19.202 19.000 0.026 0.000 0.846 125 A HN 0.251 nan 8.150 nan 0.000 0.486 126 L N -1.882 119.357 121.223 0.027 0.000 2.766 126 L HA 0.232 4.572 4.340 -0.000 0.000 0.242 126 L C 2.262 179.149 176.870 0.029 0.000 1.136 126 L CA 0.633 55.491 54.840 0.030 0.000 0.933 126 L CB 0.285 42.355 42.059 0.018 0.000 1.241 126 L HN 0.348 nan 8.230 nan 0.000 0.522 127 A N 0.086 122.922 122.820 0.026 0.000 2.044 127 A HA 0.193 4.513 4.320 -0.000 0.000 0.213 127 A C 1.160 178.762 177.584 0.030 0.000 1.169 127 A CA -0.094 51.957 52.037 0.024 0.000 0.724 127 A CB -0.067 18.945 19.000 0.020 0.000 0.840 127 A HN 0.203 nan 8.150 nan 0.000 0.463 128 I N 1.501 122.092 120.570 0.035 0.000 2.828 128 I HA -0.103 4.067 4.170 -0.000 0.000 0.292 128 I C -0.020 176.124 176.117 0.044 0.000 1.206 128 I CA 0.700 62.024 61.300 0.040 0.000 1.420 128 I CB 0.403 38.430 38.000 0.045 0.000 1.368 128 I HN 0.220 nan 8.210 nan 0.000 0.556 129 K N 6.397 126.822 120.400 0.041 0.000 2.403 129 K HA 0.309 4.629 4.320 -0.000 0.000 0.235 129 K C -1.093 175.533 176.600 0.044 0.000 1.142 129 K CA -0.262 56.050 56.287 0.042 0.000 1.114 129 K CB 0.262 32.784 32.500 0.036 0.000 1.777 129 K HN 0.466 nan 8.250 nan 0.000 0.424 130 D N 0.483 120.913 120.400 0.051 0.000 2.369 130 D HA -0.043 4.597 4.640 -0.000 0.000 0.212 130 D C 0.842 177.179 176.300 0.061 0.000 1.326 130 D CA -0.019 54.011 54.000 0.049 0.000 0.933 130 D CB 1.682 42.510 40.800 0.046 0.000 1.516 130 D HN 0.306 nan 8.370 nan 0.000 0.557 131 S N 2.646 118.376 115.700 0.049 0.000 2.380 131 S HA -0.297 4.173 4.470 -0.000 0.000 0.229 131 S C 1.620 176.272 174.600 0.087 0.000 1.050 131 S CA 0.982 59.212 58.200 0.050 0.000 1.100 131 S CB -0.133 63.056 63.200 -0.018 0.000 0.984 131 S HN 0.445 nan 8.310 nan 0.000 0.434 132 K N 1.278 121.712 120.400 0.057 0.000 2.160 132 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 132 K C 2.328 178.984 176.600 0.094 0.000 1.047 132 K CA 1.684 58.016 56.287 0.075 0.000 0.930 132 K CB -0.162 32.360 32.500 0.038 0.000 0.720 132 K HN 0.511 nan 8.250 nan 0.000 0.450 133 K N -0.304 120.145 120.400 0.081 0.000 2.242 133 K HA 0.037 4.356 4.320 -0.000 0.000 0.200 133 K C 2.093 178.744 176.600 0.085 0.000 1.050 133 K CA 0.304 56.634 56.287 0.071 0.000 0.981 133 K CB 0.197 32.729 32.500 0.054 0.000 0.795 133 K HN 0.043 nan 8.250 nan 0.000 0.477 134 R N 0.455 121.022 120.500 0.112 0.000 2.060 134 R HA -0.060 4.280 4.340 -0.000 0.000 0.225 134 R C 2.097 178.491 176.300 0.157 0.000 1.155 134 R CA 1.455 57.629 56.100 0.123 0.000 0.930 134 R CB -0.589 29.795 30.300 0.140 0.000 0.829 134 R HN 0.081 nan 8.270 nan 0.000 0.433 135 F N 1.556 121.546 119.950 0.066 0.000 2.323 135 F HA -0.209 4.318 4.527 -0.000 0.000 0.301 135 F C 1.870 177.725 175.800 0.093 0.000 1.060 135 F CA 1.200 59.251 58.000 0.084 0.000 1.398 135 F CB -0.071 38.958 39.000 0.048 0.000 1.075 135 F HN 0.051 nan 8.300 nan 0.000 0.540 136 A N -0.660 122.136 122.820 -0.040 0.000 1.997 136 A HA 0.364 4.684 4.320 -0.000 0.000 0.212 136 A C 2.261 179.849 177.584 0.007 0.000 1.178 136 A CA 0.744 52.726 52.037 -0.092 0.000 0.698 136 A CB -1.011 17.984 19.000 -0.009 0.000 0.842 136 A HN 0.369 nan 8.150 nan 0.000 0.458 137 A N 0.324 123.160 122.820 0.028 0.000 1.878 137 A HA 0.114 4.434 4.320 -0.000 0.000 0.213 137 A C 2.014 179.618 177.584 0.034 0.000 1.192 137 A CA 1.075 53.136 52.037 0.039 0.000 0.619 137 A CB -0.551 18.471 19.000 0.038 0.000 0.837 137 A HN 0.414 nan 8.150 nan 0.000 0.446 138 I N -2.146 118.443 120.570 0.032 0.000 2.069 138 I HA -0.329 3.841 4.170 -0.000 0.000 0.237 138 I C 2.412 178.540 176.117 0.019 0.000 1.053 138 I CA 2.053 63.371 61.300 0.030 0.000 1.311 138 I CB -0.634 37.406 38.000 0.067 0.000 1.030 138 I HN 0.662 nan 8.210 nan 0.000 0.398 139 W N 1.994 123.137 121.300 -0.262 0.000 2.283 139 W HA -0.354 4.306 4.660 -0.000 0.000 0.335 139 W C 2.803 179.227 176.519 -0.159 0.000 1.313 139 W CA 3.017 60.195 57.345 -0.279 0.000 1.263 139 W CB -0.944 28.221 29.460 -0.491 0.000 1.141 139 W HN 0.051 nan 8.180 nan 0.000 0.468 140 T N 1.322 115.927 114.554 0.085 0.000 2.721 140 T HA -0.272 4.078 4.350 -0.000 0.000 0.268 140 T C 1.842 176.442 174.700 -0.166 0.000 1.038 140 T CA 1.963 64.013 62.100 -0.083 0.000 1.145 140 T CB -0.613 68.294 68.868 0.066 0.000 0.858 140 T HN 0.201 nan 8.240 nan 0.000 0.459 141 L N 0.586 121.749 121.223 -0.099 0.000 2.291 141 L HA 0.007 4.347 4.340 -0.000 0.000 0.214 141 L C 1.822 178.622 176.870 -0.116 0.000 1.120 141 L CA 0.716 55.504 54.840 -0.087 0.000 0.799 141 L CB -0.191 41.845 42.059 -0.040 0.000 0.925 141 L HN 0.519 nan 8.230 nan 0.000 0.446 142 C N -3.676 115.525 119.300 -0.165 0.000 3.365 142 C HA 0.203 4.663 4.460 -0.000 0.000 0.266 142 C C 1.926 176.771 174.990 -0.242 0.000 1.631 142 C CA -0.842 58.083 59.018 -0.155 0.000 1.789 142 C CB -0.926 26.761 27.740 -0.089 0.000 3.088 142 C HN 0.407 nan 8.230 nan 0.000 0.547 143 K N 1.091 121.245 120.400 -0.410 0.000 2.296 143 K HA 0.020 4.340 4.320 -0.000 0.000 0.200 143 K C 1.452 177.853 176.600 -0.332 0.000 1.048 143 K CA 1.628 57.589 56.287 -0.544 0.000 0.966 143 K CB -0.450 31.412 32.500 -1.062 0.000 0.754 143 K HN 0.292 nan 8.250 nan 0.000 0.466 144 T N 1.026 115.428 114.554 -0.253 0.000 2.894 144 T HA 0.024 4.374 4.350 -0.000 0.000 0.258 144 T C 0.287 174.917 174.700 -0.117 0.000 1.043 144 T CA 0.472 62.472 62.100 -0.167 0.000 1.141 144 T CB 0.074 68.860 68.868 -0.136 0.000 0.873 144 T HN 0.179 nan 8.240 nan 0.000 0.449 145 K N 1.832 122.170 120.400 -0.104 0.000 2.416 145 K HA 0.216 4.536 4.320 -0.000 0.000 0.283 145 K C -0.073 176.492 176.600 -0.059 0.000 1.037 145 K CA 0.405 56.652 56.287 -0.067 0.000 0.995 145 K CB 0.456 32.925 32.500 -0.052 0.000 0.938 145 K HN 0.296 nan 8.250 nan 0.000 0.475 146 M N 2.911 122.488 119.600 -0.039 0.000 2.876 146 M HA 0.160 4.640 4.480 -0.000 0.000 0.367 146 M C -1.037 175.270 176.300 0.011 0.000 1.242 146 M CA -0.266 55.020 55.300 -0.024 0.000 0.889 146 M CB 0.857 33.435 32.600 -0.036 0.000 1.353 146 M HN 0.135 nan 8.290 nan 0.000 0.511 147 V N -0.136 119.784 119.914 0.012 0.000 2.711 147 V HA 0.149 4.269 4.120 -0.000 0.000 0.304 147 V C -0.636 175.472 176.094 0.023 0.000 1.097 147 V CA -1.226 61.090 62.300 0.026 0.000 0.906 147 V CB 2.260 34.092 31.823 0.016 0.000 1.015 147 V HN 0.421 nan 8.190 nan 0.000 0.427 148 C N 5.624 124.946 119.300 0.037 0.000 2.485 148 C HA 0.252 4.712 4.460 -0.000 0.000 0.408 148 C C 0.997 175.997 174.990 0.017 0.000 1.034 148 C CA -0.433 58.604 59.018 0.032 0.000 1.267 148 C CB -1.928 25.842 27.740 0.049 0.000 1.703 148 C HN 0.911 nan 8.230 nan 0.000 0.530 149 E N 2.799 123.004 120.200 0.009 0.000 2.534 149 E HA -0.029 4.321 4.350 -0.000 0.000 0.264 149 E C 0.928 177.525 176.600 -0.005 0.000 0.981 149 E CA 0.502 56.901 56.400 -0.001 0.000 0.948 149 E CB 0.676 30.373 29.700 -0.004 0.000 0.934 149 E HN 0.688 nan 8.360 nan 0.000 0.459 150 T N 1.125 115.669 114.554 -0.016 0.000 3.026 150 T HA 0.036 4.386 4.350 -0.000 0.000 0.245 150 T C -0.309 174.365 174.700 -0.043 0.000 1.004 150 T CA 0.102 62.188 62.100 -0.023 0.000 1.069 150 T CB 0.453 69.308 68.868 -0.021 0.000 1.005 150 T HN 0.384 nan 8.240 nan 0.000 0.472 151 D N 1.227 121.602 120.400 -0.042 0.000 2.780 151 D HA 0.593 5.233 4.640 -0.000 0.000 0.242 151 D C -1.055 175.204 176.300 -0.068 0.000 1.135 151 D CA -0.238 53.723 54.000 -0.065 0.000 0.859 151 D CB 3.085 43.852 40.800 -0.054 0.000 1.530 151 D HN 0.003 nan 8.370 nan 0.000 0.493 152 V N 1.252 121.102 119.914 -0.106 0.000 2.962 152 V HA 0.430 4.550 4.120 -0.000 0.000 0.313 152 V C -2.462 173.573 176.094 -0.098 0.000 1.099 152 V CA -1.850 60.398 62.300 -0.087 0.000 0.971 152 V CB 2.496 34.276 31.823 -0.073 0.000 1.028 152 V HN 0.392 nan 8.190 nan 0.000 0.430 153 P HA 0.139 nan 4.420 nan 0.000 0.273 153 P C 0.329 177.612 177.300 -0.027 0.000 1.319 153 P CA 0.172 63.249 63.100 -0.039 0.000 0.885 153 P CB 0.538 32.225 31.700 -0.021 0.000 1.015 154 S N 3.234 118.911 115.700 -0.038 0.000 2.775 154 S HA -0.092 4.378 4.470 -0.000 0.000 0.250 154 S C 1.173 175.791 174.600 0.030 0.000 1.391 154 S CA -0.114 58.089 58.200 0.005 0.000 0.972 154 S CB -0.205 62.995 63.200 -0.001 0.000 0.963 154 S HN 0.462 nan 8.310 nan 0.000 0.570 155 E N 0.951 121.179 120.200 0.047 0.000 2.515 155 E HA -0.023 4.327 4.350 -0.000 0.000 0.201 155 E C 0.189 176.802 176.600 0.020 0.000 1.071 155 E CA 0.637 57.058 56.400 0.035 0.000 0.880 155 E CB -0.227 29.495 29.700 0.038 0.000 0.828 155 E HN 0.493 nan 8.360 nan 0.000 0.540 156 D N 0.645 121.053 120.400 0.014 0.000 3.132 156 D HA 0.074 4.714 4.640 -0.000 0.000 0.233 156 D C 0.148 176.450 176.300 0.003 0.000 1.216 156 D CA -0.256 53.748 54.000 0.007 0.000 1.227 156 D CB -0.077 40.726 40.800 0.005 0.000 0.930 156 D HN -0.114 nan 8.370 nan 0.000 0.202 157 D N 1.450 121.849 120.400 -0.001 0.000 2.256 157 D HA 0.148 4.788 4.640 -0.000 0.000 0.250 157 D C -1.450 174.846 176.300 -0.007 0.000 1.093 157 D CA -1.295 52.703 54.000 -0.004 0.000 0.882 157 D CB 2.061 42.858 40.800 -0.005 0.000 1.185 157 D HN 0.027 nan 8.370 nan 0.000 0.437 158 P HA -0.056 nan 4.420 nan 0.000 0.237 158 P C 0.985 178.278 177.300 -0.012 0.000 1.178 158 P CA 0.576 63.670 63.100 -0.009 0.000 0.766 158 P CB 0.458 32.154 31.700 -0.006 0.000 0.876 159 T N -0.379 114.168 114.554 -0.010 0.000 2.732 159 T HA -0.068 4.282 4.350 -0.000 0.000 0.261 159 T C 1.063 175.754 174.700 -0.015 0.000 1.040 159 T CA 0.847 62.941 62.100 -0.011 0.000 1.145 159 T CB -0.466 68.397 68.868 -0.009 0.000 0.866 159 T HN 0.284 nan 8.240 nan 0.000 0.427 160 Q N 1.257 121.048 119.800 -0.015 0.000 2.313 160 Q HA 0.401 4.741 4.340 -0.000 0.000 0.266 160 Q C -0.955 175.028 176.000 -0.029 0.000 0.989 160 Q CA 0.117 55.908 55.803 -0.020 0.000 0.890 160 Q CB 0.632 29.360 28.738 -0.017 0.000 1.200 160 Q HN 0.426 nan 8.270 nan 0.000 0.396 161 L N 3.014 124.216 121.223 -0.035 0.000 2.319 161 L HA 0.456 4.796 4.340 -0.000 0.000 0.281 161 L C -0.422 176.410 176.870 -0.062 0.000 1.005 161 L CA -0.922 53.889 54.840 -0.049 0.000 0.828 161 L CB 1.418 43.452 42.059 -0.041 0.000 1.227 161 L HN 0.327 nan 8.230 nan 0.000 0.415 162 V N 1.406 121.263 119.914 -0.096 0.000 2.743 162 V HA 0.457 4.577 4.120 -0.000 0.000 0.301 162 V C 0.476 176.491 176.094 -0.133 0.000 1.057 162 V CA -0.507 61.721 62.300 -0.119 0.000 1.006 162 V CB 1.739 33.455 31.823 -0.179 0.000 1.024 162 V HN 0.896 nan 8.190 nan 0.000 0.473 163 S N 3.744 119.383 115.700 -0.101 0.000 2.501 163 S HA 0.815 5.285 4.470 -0.000 0.000 0.301 163 S C -0.286 174.275 174.600 -0.065 0.000 1.096 163 S CA -0.863 57.291 58.200 -0.077 0.000 1.063 163 S CB 2.339 65.512 63.200 -0.045 0.000 1.042 163 S HN 0.916 nan 8.310 nan 0.000 0.494 164 R N 1.953 122.426 120.500 -0.044 0.000 2.841 164 R HA 0.714 5.053 4.340 -0.000 0.000 0.098 164 R C 0.680 176.980 176.300 0.001 0.000 0.781 164 R CA -0.576 55.525 56.100 0.000 0.000 0.587 164 R CB -0.477 29.843 30.300 0.033 0.000 0.551 164 R HN 0.690 nan 8.270 nan 0.000 0.341 165 G N -0.352 108.454 108.800 0.009 0.000 2.569 165 G HA2 0.450 4.410 3.960 -0.000 0.000 0.249 165 G HA3 0.450 4.410 3.960 -0.000 0.000 0.249 165 G C -0.496 174.400 174.900 -0.005 0.000 1.216 165 G CA -0.173 44.928 45.100 0.000 0.000 0.845 165 G HN 0.608 nan 8.290 nan 0.000 0.568 166 G N -2.119 106.675 108.800 -0.009 0.000 2.481 166 G HA2 0.639 4.599 3.960 -0.000 0.000 0.315 166 G HA3 0.639 4.599 3.960 -0.000 0.000 0.315 166 G C -0.204 174.690 174.900 -0.010 0.000 1.231 166 G CA 0.044 45.137 45.100 -0.012 0.000 0.968 166 G HN 2.154 nan 8.290 nan 0.000 0.482 167 C N -0.309 118.983 119.300 -0.013 0.000 3.544 167 C HA 0.081 4.541 4.460 -0.000 0.000 0.364 167 C C 0.976 175.964 174.990 -0.003 0.000 0.907 167 C CA -0.909 58.097 59.018 -0.020 0.000 3.784 167 C CB -1.356 26.377 27.740 -0.012 0.000 1.087 167 C HN 1.808 nan 8.230 nan 0.000 0.603 168 G N 2.258 111.050 108.800 -0.012 0.000 3.155 168 G HA2 0.113 4.073 3.960 -0.000 0.000 0.213 168 G HA3 0.113 4.073 3.960 -0.000 0.000 0.213 168 G C 0.473 175.383 174.900 0.016 0.000 1.196 168 G CA 0.007 45.110 45.100 0.005 0.000 0.846 168 G HN 0.946 nan 8.290 nan 0.000 0.516 169 N N 2.325 121.023 118.700 -0.002 0.000 2.347 169 N HA -0.038 4.702 4.740 -0.000 0.000 0.278 169 N C 0.613 176.200 175.510 0.128 0.000 1.367 169 N CA 0.671 53.721 53.050 -0.001 0.000 0.898 169 N CB 0.360 38.760 38.487 -0.145 0.000 1.203 169 N HN 0.083 nan 8.380 nan 0.000 0.491 170 T N 2.558 117.193 114.554 0.135 0.000 2.902 170 T HA -0.138 4.212 4.350 -0.000 0.000 0.317 170 T C 0.717 175.592 174.700 0.291 0.000 1.064 170 T CA 0.415 62.631 62.100 0.194 0.000 1.130 170 T CB 0.450 69.452 68.868 0.223 0.000 1.073 170 T HN 0.344 nan 8.240 nan 0.000 0.524 171 Q N 3.481 123.385 119.800 0.175 0.000 2.278 171 Q HA 0.312 4.652 4.340 -0.000 0.000 0.257 171 Q C -2.198 173.787 176.000 -0.025 0.000 0.928 171 Q CA -1.939 53.936 55.803 0.119 0.000 0.932 171 Q CB 1.353 30.119 28.738 0.048 0.000 1.221 171 Q HN 0.442 nan 8.270 nan 0.000 0.434 172 P HA 0.117 nan 4.420 nan 0.000 0.290 172 P C -0.615 176.472 177.300 -0.354 0.000 1.276 172 P CA -0.347 62.388 63.100 -0.608 0.000 0.808 172 P CB 1.324 32.072 31.700 -1.586 0.000 0.966 173 T N 3.440 117.825 114.554 -0.281 0.000 2.813 173 T HA 0.394 4.744 4.350 -0.000 0.000 0.297 173 T C 0.639 175.230 174.700 -0.180 0.000 1.036 173 T CA 0.151 62.146 62.100 -0.175 0.000 1.044 173 T CB 0.083 68.874 68.868 -0.130 0.000 0.993 173 T HN 0.277 nan 8.240 nan 0.000 0.535 174 I N 1.067 121.584 120.570 -0.089 0.000 2.865 174 I HA 0.600 4.770 4.170 -0.000 0.000 0.302 174 I C -0.264 175.857 176.117 0.008 0.000 1.140 174 I CA -1.295 59.975 61.300 -0.050 0.000 1.021 174 I CB 2.350 40.350 38.000 0.001 0.000 1.233 174 I HN 0.617 nan 8.210 nan 0.000 0.427 175 R N 2.360 122.870 120.500 0.017 0.000 2.808 175 R HA 0.593 4.933 4.340 -0.000 0.000 0.272 175 R C -1.292 175.044 176.300 0.061 0.000 0.995 175 R CA -1.125 54.999 56.100 0.040 0.000 0.917 175 R CB 2.263 32.575 30.300 0.020 0.000 1.217 175 R HN 0.491 nan 8.270 nan 0.000 0.471 176 K N 1.669 122.112 120.400 0.073 0.000 2.253 176 K HA 0.114 4.434 4.320 -0.000 0.000 0.277 176 K C -1.221 175.416 176.600 0.062 0.000 1.053 176 K CA -0.426 55.911 56.287 0.083 0.000 0.892 176 K CB 1.022 33.580 32.500 0.096 0.000 1.102 176 K HN 0.645 nan 8.250 nan 0.000 0.469 177 D N 3.938 124.371 120.400 0.055 0.000 2.471 177 D HA 0.268 4.908 4.640 -0.000 0.000 0.245 177 D C 0.586 176.911 176.300 0.041 0.000 1.116 177 D CA 0.543 54.567 54.000 0.040 0.000 0.853 177 D CB 1.373 42.189 40.800 0.027 0.000 1.123 177 D HN 0.875 nan 8.370 nan 0.000 0.540 178 G N 3.586 112.416 108.800 0.050 0.000 2.651 178 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.315 178 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.315 178 G C 0.680 175.619 174.900 0.066 0.000 1.258 178 G CA 0.514 45.650 45.100 0.060 0.000 1.002 178 G HN 0.579 nan 8.290 nan 0.000 0.551 179 L N 0.927 122.181 121.223 0.052 0.000 2.848 179 L HA 0.368 4.708 4.340 -0.000 0.000 0.240 179 L C 0.708 177.520 176.870 -0.097 0.000 1.232 179 L CA 0.129 54.989 54.840 0.034 0.000 1.031 179 L CB -0.266 41.826 42.059 0.055 0.000 1.338 179 L HN 0.258 nan 8.230 nan 0.000 0.509 180 K N 0.959 121.318 120.400 -0.068 0.000 2.435 180 K HA 0.632 4.952 4.320 -0.000 0.000 0.251 180 K C -1.065 175.529 176.600 -0.011 0.000 0.954 180 K CA -0.821 55.381 56.287 -0.141 0.000 0.820 180 K CB 3.236 35.669 32.500 -0.111 0.000 1.292 180 K HN -0.023 nan 8.250 nan 0.000 0.436 181 L N 2.134 123.369 121.223 0.020 0.000 2.295 181 L HA 0.530 4.870 4.340 -0.000 0.000 0.285 181 L C -0.643 176.268 176.870 0.067 0.000 1.035 181 L CA -1.004 53.901 54.840 0.108 0.000 0.806 181 L CB 1.616 43.811 42.059 0.227 0.000 1.214 181 L HN 0.242 nan 8.230 nan 0.000 0.426 182 V N 1.575 121.516 119.914 0.044 0.000 2.962 182 V HA 0.900 5.020 4.120 -0.000 0.000 0.313 182 V C 0.083 176.145 176.094 -0.053 0.000 1.099 182 V CA -0.513 61.795 62.300 0.014 0.000 0.971 182 V CB 2.145 33.976 31.823 0.015 0.000 1.028 182 V HN 0.875 nan 8.190 nan 0.000 0.430 183 G N 1.149 109.863 108.800 -0.142 0.000 2.718 183 G HA2 0.656 4.615 3.960 -0.000 0.000 0.295 183 G HA3 0.656 4.615 3.960 -0.000 0.000 0.295 183 G C -0.892 173.734 174.900 -0.457 0.000 1.421 183 G CA -0.111 44.784 45.100 -0.341 0.000 0.902 183 G HN 0.942 nan 8.290 nan 0.000 0.501 184 S N -0.008 115.448 115.700 -0.406 0.000 2.651 184 S HA 0.771 5.241 4.470 -0.000 0.000 0.291 184 S C -1.054 173.336 174.600 -0.351 0.000 1.141 184 S CA -0.765 57.306 58.200 -0.215 0.000 1.027 184 S CB 1.697 64.852 63.200 -0.074 0.000 1.043 184 S HN 0.583 nan 8.310 nan 0.000 0.530 185 W N 1.924 123.238 121.300 0.023 0.000 2.453 185 W HA 0.446 5.106 4.660 -0.000 0.000 0.310 185 W C 0.034 176.562 176.519 0.015 0.000 1.000 185 W CA -0.671 56.688 57.345 0.024 0.000 1.367 185 W CB 1.684 31.163 29.460 0.032 0.000 1.269 185 W HN 0.787 nan 8.180 nan 0.000 0.418 196 E N 0.523 120.739 120.200 0.028 0.000 7.835 196 E HA -0.102 4.248 4.350 -0.000 0.000 0.463 196 E C -2.682 173.947 176.600 0.048 0.000 0.612 196 E CA -0.648 55.771 56.400 0.032 0.000 1.100 196 E CB -0.095 29.622 29.700 0.028 0.000 0.976 196 E HN 0.206 nan 8.360 nan 0.000 0.262 197 P HA 0.192 nan 4.420 nan 0.000 0.286 197 P C -0.856 176.507 177.300 0.105 0.000 1.293 197 P CA 0.145 63.291 63.100 0.076 0.000 0.770 197 P CB 0.397 32.128 31.700 0.052 0.000 1.206 198 E N -0.075 120.225 120.200 0.167 0.000 2.528 198 E HA 0.299 4.649 4.350 -0.000 0.000 0.277 198 E C -0.968 175.804 176.600 0.287 0.000 0.980 198 E CA -0.298 56.229 56.400 0.212 0.000 0.796 198 E CB 0.747 30.601 29.700 0.256 0.000 1.427 198 E HN 0.316 nan 8.360 nan 0.000 0.394 199 L N 4.247 125.576 121.223 0.176 0.000 2.261 199 L HA 0.518 4.858 4.340 -0.000 0.000 0.289 199 L C 0.227 177.199 176.870 0.169 0.000 1.059 199 L CA -0.440 54.496 54.840 0.160 0.000 0.816 199 L CB 0.180 42.286 42.059 0.078 0.000 1.191 199 L HN 0.332 nan 8.230 nan 0.000 0.431 200 R N 2.155 122.814 120.500 0.266 0.000 2.807 200 R HA 0.731 5.071 4.340 -0.000 0.000 0.276 200 R C -1.366 175.041 176.300 0.179 0.000 0.979 200 R CA -0.880 55.342 56.100 0.203 0.000 0.928 200 R CB 1.758 32.184 30.300 0.210 0.000 1.191 200 R HN 0.183 nan 8.270 nan 0.000 0.471 201 V N 3.458 123.431 119.914 0.098 0.000 2.488 201 V HA 0.163 4.283 4.120 -0.000 0.000 0.277 201 V C 0.422 176.576 176.094 0.099 0.000 1.046 201 V CA -0.528 61.813 62.300 0.069 0.000 0.986 201 V CB 0.992 32.823 31.823 0.013 0.000 0.989 201 V HN 0.578 nan 8.190 nan 0.000 0.475 202 L N 5.658 126.947 121.223 0.111 0.000 2.433 202 L HA 0.198 4.537 4.340 -0.000 0.000 0.284 202 L C 0.910 177.836 176.870 0.093 0.000 1.120 202 L CA 0.050 54.975 54.840 0.142 0.000 0.879 202 L CB 0.712 42.877 42.059 0.176 0.000 1.232 202 L HN 0.875 nan 8.230 nan 0.000 0.454 203 S N 0.899 116.650 115.700 0.086 0.000 2.533 203 S HA 0.056 4.526 4.470 -0.000 0.000 0.282 203 S C 1.268 175.926 174.600 0.097 0.000 1.304 203 S CA -0.590 57.645 58.200 0.060 0.000 1.063 203 S CB 1.265 64.502 63.200 0.062 0.000 0.881 203 S HN 0.637 nan 8.310 nan 0.000 0.493 204 T N 3.313 117.915 114.554 0.079 0.000 2.597 204 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 204 T C 1.508 176.294 174.700 0.143 0.000 1.053 204 T CA 2.252 64.467 62.100 0.192 0.000 1.165 204 T CB -0.790 68.176 68.868 0.163 0.000 0.863 204 T HN 0.879 nan 8.240 nan 0.000 0.427 205 E N 0.677 120.936 120.200 0.098 0.000 2.253 205 E HA -0.240 4.110 4.350 -0.000 0.000 0.202 205 E C 2.170 178.822 176.600 0.086 0.000 1.014 205 E CA 1.293 57.741 56.400 0.081 0.000 0.823 205 E CB -0.135 29.605 29.700 0.067 0.000 0.736 205 E HN 0.607 nan 8.360 nan 0.000 0.478 206 E N 0.122 120.383 120.200 0.102 0.000 2.024 206 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 206 E C 2.113 178.794 176.600 0.135 0.000 0.974 206 E CA 0.378 56.845 56.400 0.111 0.000 0.810 206 E CB 0.137 29.906 29.700 0.115 0.000 0.775 206 E HN 0.087 nan 8.360 nan 0.000 0.453 207 I N 1.964 122.625 120.570 0.152 0.000 2.093 207 I HA -0.380 3.790 4.170 -0.000 0.000 0.239 207 I C 2.696 178.870 176.117 0.094 0.000 1.026 207 I CA 1.414 62.804 61.300 0.150 0.000 1.295 207 I CB -1.486 36.547 38.000 0.055 0.000 1.007 207 I HN 0.359 nan 8.210 nan 0.000 0.401 208 L N 0.496 121.709 121.223 -0.017 0.000 2.026 208 L HA -0.376 3.964 4.340 -0.000 0.000 0.231 208 L C 2.636 179.563 176.870 0.094 0.000 1.095 208 L CA 2.206 57.028 54.840 -0.030 0.000 0.810 208 L CB -0.541 41.524 42.059 0.010 0.000 0.909 208 L HN 0.432 nan 8.230 nan 0.000 0.444 209 N N 0.200 118.961 118.700 0.102 0.000 2.020 209 N HA -0.283 4.457 4.740 -0.000 0.000 0.200 209 N C 1.775 177.400 175.510 0.193 0.000 1.054 209 N CA 2.551 55.667 53.050 0.111 0.000 0.874 209 N CB -0.503 38.065 38.487 0.136 0.000 1.075 209 N HN 0.403 nan 8.380 nan 0.000 0.446 210 I N 0.231 120.948 120.570 0.246 0.000 2.285 210 I HA -0.322 3.848 4.170 -0.000 0.000 0.253 210 I C 1.950 178.193 176.117 0.211 0.000 1.104 210 I CA 1.268 62.706 61.300 0.231 0.000 1.372 210 I CB -0.428 37.698 38.000 0.209 0.000 1.057 210 I HN 0.081 nan 8.210 nan 0.000 0.431 211 F N 0.861 120.822 119.950 0.018 0.000 2.118 211 F HA -0.080 4.447 4.527 -0.000 0.000 0.293 211 F C 2.515 178.309 175.800 -0.010 0.000 1.102 211 F CA 1.178 59.172 58.000 -0.011 0.000 1.247 211 F CB -0.747 38.217 39.000 -0.060 0.000 1.017 211 F HN -0.166 nan 8.300 nan 0.000 0.475 212 K N -0.617 119.863 120.400 0.132 0.000 2.089 212 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 212 K C 1.952 178.494 176.600 -0.096 0.000 1.048 212 K CA 1.680 57.942 56.287 -0.042 0.000 0.926 212 K CB -0.291 32.108 32.500 -0.168 0.000 0.714 212 K HN 0.323 nan 8.250 nan 0.000 0.448 213 H N 0.021 119.099 119.070 0.013 0.000 2.502 213 H HA 0.089 4.645 4.556 -0.000 0.000 0.283 213 H C 0.685 175.942 175.328 -0.119 0.000 1.015 213 H CA 0.328 56.350 56.048 -0.044 0.000 1.298 213 H CB -0.084 29.665 29.762 -0.022 0.000 1.411 213 H HN 0.111 nan 8.280 nan 0.000 0.556 214 I N 2.158 122.711 120.570 -0.029 0.000 2.948 214 I HA -0.168 4.002 4.170 -0.000 0.000 0.303 214 I C 1.184 177.052 176.117 -0.415 0.000 1.224 214 I CA 0.354 61.545 61.300 -0.181 0.000 1.442 214 I CB 0.370 38.265 38.000 -0.176 0.000 1.328 214 I HN 0.162 nan 8.210 nan 0.000 0.578 215 S N 4.917 120.386 115.700 -0.385 0.000 2.585 215 S HA 0.143 4.613 4.470 -0.000 0.000 0.273 215 S C 1.086 175.248 174.600 -0.729 0.000 1.339 215 S CA -0.930 57.005 58.200 -0.441 0.000 1.028 215 S CB 1.587 64.643 63.200 -0.239 0.000 0.906 215 S HN 0.384 nan 8.310 nan 0.000 0.528 216 V N 3.511 123.068 119.914 -0.595 0.000 2.287 216 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 216 V C 2.522 178.483 176.094 -0.222 0.000 1.053 216 V CA 2.060 64.063 62.300 -0.494 0.000 1.027 216 V CB -0.915 30.783 31.823 -0.209 0.000 0.646 216 V HN 0.906 nan 8.190 nan 0.000 0.447 217 K N -0.487 119.822 120.400 -0.151 0.000 2.432 217 K HA -0.077 4.243 4.320 -0.000 0.000 0.196 217 K C 1.590 178.164 176.600 -0.042 0.000 1.038 217 K CA 0.719 56.972 56.287 -0.056 0.000 0.986 217 K CB -0.089 32.382 32.500 -0.047 0.000 0.782 217 K HN 0.496 nan 8.250 nan 0.000 0.485 218 D N 0.365 120.694 120.400 -0.119 0.000 2.162 218 D HA -0.028 4.612 4.640 -0.000 0.000 0.205 218 D C 1.641 177.964 176.300 0.038 0.000 0.964 218 D CA 0.689 54.645 54.000 -0.073 0.000 0.847 218 D CB -0.085 40.625 40.800 -0.150 0.000 0.988 218 D HN 0.086 nan 8.370 nan 0.000 0.480 219 F N 1.564 121.457 119.950 -0.094 0.000 2.005 219 F HA -0.303 4.224 4.527 -0.000 0.000 0.297 219 F C 2.742 178.570 175.800 0.046 0.000 1.175 219 F CA 1.226 59.155 58.000 -0.118 0.000 1.192 219 F CB -0.776 38.179 39.000 -0.076 0.000 0.953 219 F HN -0.060 nan 8.300 nan 0.000 0.504 220 T N 0.233 114.986 114.554 0.331 0.000 2.624 220 T HA -0.310 4.040 4.350 -0.000 0.000 0.266 220 T C 1.956 176.762 174.700 0.176 0.000 1.050 220 T CA 2.151 64.382 62.100 0.219 0.000 1.163 220 T CB -0.811 68.146 68.868 0.148 0.000 0.861 220 T HN 0.420 nan 8.240 nan 0.000 0.443 221 S N 1.357 117.138 115.700 0.136 0.000 2.380 221 S HA -0.063 4.407 4.470 -0.000 0.000 0.229 221 S C 1.000 175.707 174.600 0.179 0.000 1.043 221 S CA 0.768 59.040 58.200 0.119 0.000 1.038 221 S CB -0.758 62.489 63.200 0.079 0.000 0.872 221 S HN 0.423 nan 8.310 nan 0.000 0.456 222 L N 1.472 122.836 121.223 0.235 0.000 2.399 222 L HA 0.457 4.797 4.340 -0.000 0.000 0.266 222 L C 1.129 178.207 176.870 0.348 0.000 1.114 222 L CA -0.468 54.583 54.840 0.352 0.000 0.804 222 L CB 0.294 42.570 42.059 0.362 0.000 1.146 222 L HN 0.321 nan 8.230 nan 0.000 0.451 223 G N 1.990 110.931 108.800 0.235 0.000 2.726 223 G HA2 0.220 4.180 3.960 -0.000 0.000 0.283 223 G HA3 0.220 4.180 3.960 -0.000 0.000 0.283 223 G C -0.591 174.180 174.900 -0.215 0.000 0.689 223 G CA 0.168 45.265 45.100 -0.005 0.000 2.087 223 G HN 0.250 nan 8.290 nan 0.000 0.546 224 F N -0.335 119.585 119.950 -0.049 0.000 2.980 224 F HA 0.570 5.097 4.527 -0.000 0.000 0.335 224 F C -0.027 175.764 175.800 -0.014 0.000 1.210 224 F CA -1.361 56.596 58.000 -0.072 0.000 0.986 224 F CB 2.208 41.126 39.000 -0.137 0.000 1.469 224 F HN 0.251 nan 8.300 nan 0.000 0.519 225 N N 0.033 118.858 118.700 0.209 0.000 2.655 225 N HA 0.114 4.854 4.740 -0.000 0.000 0.277 225 N C 0.117 175.694 175.510 0.111 0.000 1.177 225 N CA -0.143 52.983 53.050 0.128 0.000 0.882 225 N CB 1.125 39.670 38.487 0.096 0.000 1.481 225 N HN 0.670 nan 8.380 nan 0.000 0.547 226 E N 1.817 122.095 120.200 0.130 0.000 2.236 226 E HA -0.248 4.102 4.350 -0.000 0.000 0.205 226 E C 0.438 177.117 176.600 0.133 0.000 1.028 226 E CA 1.906 58.405 56.400 0.165 0.000 0.827 226 E CB 0.260 30.059 29.700 0.166 0.000 0.735 226 E HN 0.493 nan 8.360 nan 0.000 0.470 227 V N -0.991 118.928 119.914 0.008 0.000 2.922 227 V HA -0.009 4.111 4.120 -0.000 0.000 0.242 227 V C 1.708 177.909 176.094 0.179 0.000 1.094 227 V CA 0.916 63.197 62.300 -0.031 0.000 1.106 227 V CB -0.247 31.308 31.823 -0.446 0.000 0.799 227 V HN 0.250 nan 8.190 nan 0.000 0.474 228 F N 0.764 120.807 119.950 0.153 0.000 2.582 228 F HA 0.203 4.730 4.527 -0.000 0.000 0.290 228 F C 1.010 176.874 175.800 0.108 0.000 1.115 228 F CA 0.442 58.475 58.000 0.056 0.000 1.445 228 F CB 0.555 39.560 39.000 0.008 0.000 1.126 228 F HN 0.254 nan 8.300 nan 0.000 0.574 229 S N 0.536 116.510 115.700 0.457 0.000 2.423 229 S HA 0.449 4.919 4.470 -0.000 0.000 0.213 229 S C -0.903 173.974 174.600 0.462 0.000 1.131 229 S CA -0.864 57.631 58.200 0.491 0.000 1.155 229 S CB 0.774 64.108 63.200 0.224 0.000 1.202 229 S HN 0.090 nan 8.310 nan 0.000 0.441 230 R N 2.770 123.512 120.500 0.403 0.000 2.368 230 R HA 0.410 4.750 4.340 -0.000 0.000 0.302 230 R C -2.014 174.099 176.300 -0.312 0.000 1.002 230 R CA -2.318 53.414 56.100 -0.613 0.000 0.929 230 R CB 0.719 30.205 30.300 -1.356 0.000 1.073 230 R HN 0.287 nan 8.270 nan 0.000 0.464 231 P HA -0.300 nan 4.420 nan 0.000 0.216 231 P C 0.685 177.996 177.300 0.019 0.000 1.154 231 P CA 1.441 64.416 63.100 -0.208 0.000 0.865 231 P CB 0.072 31.507 31.700 -0.442 0.000 0.789 232 E N -1.723 118.410 120.200 -0.111 0.000 2.448 232 E HA -0.216 4.134 4.350 -0.000 0.000 0.203 232 E C 0.995 177.531 176.600 -0.106 0.000 1.046 232 E CA 0.836 57.154 56.400 -0.137 0.000 0.871 232 E CB -0.872 28.684 29.700 -0.240 0.000 0.790 232 E HN 0.384 nan 8.360 nan 0.000 0.545 233 W N 0.082 121.397 121.300 0.025 0.000 3.013 233 W HA 0.322 4.982 4.660 -0.000 0.000 0.280 233 W C 1.710 178.290 176.519 0.102 0.000 1.249 233 W CA -0.229 57.155 57.345 0.064 0.000 1.577 233 W CB -0.173 29.343 29.460 0.093 0.000 1.057 233 W HN 0.109 nan 8.180 nan 0.000 0.613 234 M N -0.063 119.718 119.600 0.302 0.000 2.549 234 M HA -0.031 4.449 4.480 -0.000 0.000 0.260 234 M C 0.397 176.814 176.300 0.194 0.000 1.076 234 M CA 1.244 56.769 55.300 0.376 0.000 1.090 234 M CB -0.148 32.551 32.600 0.164 0.000 1.418 234 M HN -0.341 nan 8.290 nan 0.000 0.486 235 I N 1.712 122.323 120.570 0.068 0.000 2.330 235 I HA 0.225 4.395 4.170 -0.000 0.000 0.289 235 I C -0.371 175.804 176.117 0.097 0.000 1.001 235 I CA -0.656 60.659 61.300 0.025 0.000 1.193 235 I CB 1.140 39.096 38.000 -0.074 0.000 1.345 235 I HN 0.042 nan 8.210 nan 0.000 0.461 236 L N 6.035 127.312 121.223 0.089 0.000 2.380 236 L HA 0.334 4.674 4.340 -0.000 0.000 0.273 236 L C 0.638 177.561 176.870 0.088 0.000 1.138 236 L CA 0.014 54.898 54.840 0.073 0.000 0.832 236 L CB 0.425 42.504 42.059 0.032 0.000 1.124 236 L HN 0.645 nan 8.230 nan 0.000 0.454 237 T N -0.427 114.180 114.554 0.089 0.000 3.051 237 T HA 0.070 4.419 4.350 -0.000 0.000 0.254 237 T C -0.124 174.620 174.700 0.073 0.000 0.916 237 T CA 0.021 62.172 62.100 0.085 0.000 0.894 237 T CB 0.451 69.380 68.868 0.102 0.000 1.251 237 T HN 0.659 nan 8.240 nan 0.000 0.517 238 C N 2.327 121.671 119.300 0.073 0.000 2.431 238 C HA 0.826 5.286 4.460 -0.000 0.000 0.321 238 C C -1.430 173.585 174.990 0.042 0.000 1.202 238 C CA -1.073 57.989 59.018 0.074 0.000 1.398 238 C CB 0.068 27.872 27.740 0.106 0.000 2.047 238 C HN 0.435 nan 8.230 nan 0.000 0.465 239 L N 9.035 130.274 121.223 0.028 0.000 2.287 239 L HA 0.617 4.957 4.340 -0.000 0.000 0.287 239 L C -1.960 174.934 176.870 0.040 0.000 1.022 239 L CA -1.600 53.252 54.840 0.021 0.000 0.814 239 L CB 1.737 43.793 42.059 -0.006 0.000 1.217 239 L HN 0.540 nan 8.230 nan 0.000 0.420 240 P HA 0.060 nan 4.420 nan 0.000 0.271 240 P C -1.008 176.353 177.300 0.102 0.000 1.218 240 P CA -0.111 63.083 63.100 0.156 0.000 0.780 240 P CB 1.116 32.969 31.700 0.255 0.000 0.901 241 V N 4.457 124.358 119.914 -0.021 0.000 2.276 241 V HA 0.186 4.306 4.120 -0.000 0.000 0.268 241 V C -1.972 173.833 176.094 -0.482 0.000 1.032 241 V CA -2.036 60.161 62.300 -0.173 0.000 0.810 241 V CB 0.732 32.487 31.823 -0.112 0.000 1.060 241 V HN 0.555 nan 8.190 nan 0.000 0.446 242 P HA -0.005 nan 4.420 nan 0.000 0.259 242 P C -2.484 174.539 177.300 -0.462 0.000 1.155 242 P CA -0.270 62.346 63.100 -0.806 0.000 0.759 242 P CB -0.022 31.499 31.700 -0.298 0.000 0.753 243 P HA 0.120 nan 4.420 nan 0.000 0.278 243 P C -1.681 175.543 177.300 -0.126 0.000 1.238 243 P CA -1.713 61.268 63.100 -0.198 0.000 0.794 243 P CB -0.042 31.579 31.700 -0.132 0.000 0.955 244 P HA -0.245 nan 4.420 nan 0.000 0.221 244 P C -1.191 176.069 177.300 -0.067 0.000 0.967 244 P CA 2.912 65.971 63.100 -0.069 0.000 1.038 244 P CB -2.567 29.103 31.700 -0.050 0.000 0.731 245 P HA -0.135 nan 4.420 nan 0.000 0.219 245 P C 1.642 178.914 177.300 -0.046 0.000 1.147 245 P CA 1.276 64.347 63.100 -0.050 0.000 0.821 245 P CB -0.476 31.197 31.700 -0.045 0.000 0.771 246 V N -0.750 119.131 119.914 -0.055 0.000 2.725 246 V HA -0.060 4.060 4.120 -0.000 0.000 0.247 246 V C 1.453 177.517 176.094 -0.050 0.000 1.058 246 V CA 1.288 63.562 62.300 -0.043 0.000 1.080 246 V CB -0.782 31.011 31.823 -0.049 0.000 0.713 246 V HN 0.235 nan 8.190 nan 0.000 0.465 247 R N 1.049 121.511 120.500 -0.063 0.000 2.738 247 R HA 0.357 4.696 4.340 -0.000 0.000 0.280 247 R C -3.004 173.246 176.300 -0.083 0.000 1.456 247 R CA -1.358 54.700 56.100 -0.071 0.000 1.612 247 R CB 0.338 30.599 30.300 -0.065 0.000 1.286 247 R HN 0.241 nan 8.270 nan 0.000 0.660 248 P HA 0.043 nan 4.420 nan 0.000 0.275 248 P C -0.048 177.191 177.300 -0.101 0.000 1.270 248 P CA -0.041 63.010 63.100 -0.081 0.000 0.791 248 P CB 1.174 32.832 31.700 -0.071 0.000 1.089 249 S N -0.172 115.464 115.700 -0.108 0.000 2.430 249 S HA 0.626 5.096 4.470 -0.000 0.000 0.246 249 S C 0.288 174.793 174.600 -0.159 0.000 1.155 249 S CA -0.616 57.504 58.200 -0.133 0.000 1.054 249 S CB 0.043 63.165 63.200 -0.129 0.000 1.154 249 S HN 0.489 nan 8.310 nan 0.000 0.482 250 I N 1.277 121.707 120.570 -0.234 0.000 2.623 250 I HA 0.114 4.284 4.170 -0.000 0.000 0.265 250 I C -1.225 174.488 176.117 -0.673 0.000 1.365 250 I CA -0.270 60.816 61.300 -0.357 0.000 1.203 250 I CB 1.613 39.444 38.000 -0.282 0.000 1.522 250 I HN 0.697 nan 8.210 nan 0.000 0.442 251 S N 4.318 119.693 115.700 -0.541 0.000 2.554 251 S HA 0.665 5.135 4.470 -0.000 0.000 0.278 251 S C -0.473 173.739 174.600 -0.647 0.000 1.242 251 S CA -0.547 57.312 58.200 -0.569 0.000 1.051 251 S CB 0.962 64.016 63.200 -0.243 0.000 0.986 251 S HN 0.379 nan 8.310 nan 0.000 0.502 252 F N 2.632 122.579 119.950 -0.004 0.000 2.578 252 F HA 0.392 4.919 4.527 -0.000 0.000 0.314 252 F C 0.968 176.767 175.800 -0.001 0.000 1.225 252 F CA -0.805 57.194 58.000 -0.002 0.000 1.215 252 F CB -0.860 38.140 39.000 0.000 0.000 1.448 252 F HN 0.615 nan 8.300 nan 0.000 0.548 253 N N 0.227 118.950 118.700 0.038 0.000 3.988 253 N HA -0.264 4.476 4.740 -0.000 0.000 0.229 253 N C 0.712 176.230 175.510 0.012 0.000 0.276 253 N CA 1.986 55.050 53.050 0.024 0.000 2.813 253 N CB -0.592 37.925 38.487 0.051 0.000 1.426 253 N HN 0.505 nan 8.380 nan 0.000 0.322 254 E N 0.151 120.376 120.200 0.042 0.000 4.286 254 E HA 0.269 4.619 4.350 -0.000 0.000 0.240 254 E C -0.194 176.440 176.600 0.056 0.000 1.038 254 E CA 0.228 56.647 56.400 0.032 0.000 1.074 254 E CB 0.019 29.733 29.700 0.024 0.000 2.386 254 E HN 0.371 nan 8.360 nan 0.000 0.487 255 S N 1.568 117.298 115.700 0.050 0.000 3.185 255 S HA -0.122 4.348 4.470 -0.000 0.000 0.242 255 S C -0.013 174.635 174.600 0.080 0.000 0.824 255 S CA 0.592 58.824 58.200 0.054 0.000 1.754 255 S CB -0.700 62.522 63.200 0.037 0.000 1.443 255 S HN 0.292 nan 8.310 nan 0.000 0.617 256 Q N 0.527 120.395 119.800 0.114 0.000 2.728 256 Q HA 0.538 4.878 4.340 -0.000 0.000 0.378 256 Q C 0.236 176.342 176.000 0.176 0.000 0.670 256 Q CA -1.211 54.697 55.803 0.174 0.000 0.915 256 Q CB 1.009 29.938 28.738 0.318 0.000 1.128 256 Q HN 0.421 nan 8.270 nan 0.000 0.483 257 R N -1.236 119.428 120.500 0.273 0.000 2.732 257 R HA 0.622 4.962 4.340 -0.000 0.000 0.099 257 R C -0.163 176.222 176.300 0.143 0.000 0.977 257 R CA 0.037 56.252 56.100 0.192 0.000 0.796 257 R CB 0.333 30.750 30.300 0.195 0.000 0.680 257 R HN 0.795 nan 8.270 nan 0.000 0.360 258 G N 1.223 110.134 108.800 0.186 0.000 2.148 258 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.157 258 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.157 258 G C -0.396 174.465 174.900 -0.065 0.000 1.012 258 G CA -0.482 44.638 45.100 0.034 0.000 0.677 258 G HN 0.180 nan 8.290 nan 0.000 0.506 259 E N 1.081 121.236 120.200 -0.074 0.000 2.415 259 E HA 0.202 4.551 4.350 -0.000 0.000 0.262 259 E C 0.082 176.451 176.600 -0.384 0.000 1.038 259 E CA -0.159 56.099 56.400 -0.238 0.000 0.921 259 E CB 0.869 30.398 29.700 -0.285 0.000 0.950 259 E HN 0.381 nan 8.360 nan 0.000 0.438 260 D N 1.305 121.491 120.400 -0.358 0.000 2.304 260 D HA -0.010 4.630 4.640 -0.000 0.000 0.247 260 D C 0.309 176.350 176.300 -0.432 0.000 1.089 260 D CA -0.290 53.528 54.000 -0.303 0.000 0.910 260 D CB 0.921 41.611 40.800 -0.183 0.000 1.199 260 D HN 0.193 nan 8.370 nan 0.000 0.426 261 D N 2.029 122.267 120.400 -0.270 0.000 2.126 261 D HA -0.198 4.442 4.640 -0.000 0.000 0.190 261 D C 1.973 178.215 176.300 -0.096 0.000 1.001 261 D CA 1.293 55.189 54.000 -0.173 0.000 0.841 261 D CB 0.024 40.796 40.800 -0.045 0.000 0.949 261 D HN 0.389 nan 8.370 nan 0.000 0.446 262 L N 0.247 121.437 121.223 -0.054 0.000 1.971 262 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 262 L C 2.272 179.159 176.870 0.028 0.000 1.072 262 L CA 1.601 56.467 54.840 0.042 0.000 0.758 262 L CB -0.919 41.170 42.059 0.049 0.000 0.889 262 L HN 0.100 nan 8.230 nan 0.000 0.433 263 T N -0.425 114.088 114.554 -0.068 0.000 3.070 263 T HA -0.193 4.157 4.350 -0.000 0.000 0.270 263 T C 1.339 176.115 174.700 0.127 0.000 1.175 263 T CA 1.183 63.258 62.100 -0.042 0.000 1.073 263 T CB -0.351 68.445 68.868 -0.121 0.000 0.840 263 T HN 0.269 nan 8.240 nan 0.000 0.576 264 F N 0.288 120.228 119.950 -0.017 0.000 2.399 264 F HA 0.144 4.671 4.527 -0.000 0.000 0.282 264 F C 2.177 177.935 175.800 -0.070 0.000 1.027 264 F CA -0.206 57.775 58.000 -0.032 0.000 1.333 264 F CB 0.146 39.136 39.000 -0.018 0.000 1.132 264 F HN -0.102 nan 8.300 nan 0.000 0.590 265 K N 1.034 121.518 120.400 0.140 0.000 2.281 265 K HA -0.133 4.187 4.320 -0.000 0.000 0.203 265 K C 1.687 178.213 176.600 -0.124 0.000 1.046 265 K CA 0.899 57.168 56.287 -0.030 0.000 0.938 265 K CB -0.458 32.073 32.500 0.053 0.000 0.737 265 K HN 0.288 nan 8.250 nan 0.000 0.458 266 L N -0.708 120.454 121.223 -0.102 0.000 2.068 266 L HA -0.058 4.282 4.340 -0.000 0.000 0.204 266 L C 2.353 179.180 176.870 -0.071 0.000 1.076 266 L CA 1.063 55.793 54.840 -0.183 0.000 0.753 266 L CB -0.698 41.264 42.059 -0.161 0.000 0.910 266 L HN 0.174 nan 8.230 nan 0.000 0.439 267 A N 0.185 123.013 122.820 0.012 0.000 1.903 267 A HA -0.292 4.027 4.320 -0.000 0.000 0.219 267 A C 1.911 179.495 177.584 -0.001 0.000 1.191 267 A CA 2.288 54.343 52.037 0.030 0.000 0.638 267 A CB -0.654 18.397 19.000 0.084 0.000 0.823 267 A HN 0.386 nan 8.150 nan 0.000 0.451 268 D N -0.142 120.239 120.400 -0.032 0.000 2.106 268 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 268 D C 1.940 178.316 176.300 0.125 0.000 0.988 268 D CA 1.482 55.476 54.000 -0.011 0.000 0.845 268 D CB -0.564 40.027 40.800 -0.348 0.000 0.990 268 D HN 0.456 nan 8.370 nan 0.000 0.448 269 I N 0.628 121.251 120.570 0.088 0.000 2.182 269 I HA -0.322 3.848 4.170 -0.000 0.000 0.248 269 I C 2.415 178.562 176.117 0.051 0.000 1.073 269 I CA 0.744 62.112 61.300 0.113 0.000 1.335 269 I CB -0.248 37.725 38.000 -0.044 0.000 1.031 269 I HN 0.094 nan 8.210 nan 0.000 0.420 270 L N 0.882 122.107 121.223 0.003 0.000 1.961 270 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 270 L C 2.430 179.304 176.870 0.007 0.000 1.072 270 L CA 1.939 56.772 54.840 -0.011 0.000 0.749 270 L CB -0.956 41.093 42.059 -0.016 0.000 0.889 270 L HN 0.127 nan 8.230 nan 0.000 0.432 271 K N -0.547 119.868 120.400 0.025 0.000 2.001 271 K HA -0.259 4.061 4.320 -0.000 0.000 0.223 271 K C 1.924 178.537 176.600 0.023 0.000 1.055 271 K CA 2.065 58.366 56.287 0.023 0.000 0.965 271 K CB -0.725 31.798 32.500 0.038 0.000 0.730 271 K HN 0.476 nan 8.250 nan 0.000 0.449 272 A N 1.172 124.025 122.820 0.056 0.000 2.139 272 A HA -0.249 4.071 4.320 -0.000 0.000 0.221 272 A C 1.802 179.390 177.584 0.007 0.000 1.159 272 A CA 2.109 54.160 52.037 0.022 0.000 0.662 272 A CB -0.683 18.327 19.000 0.017 0.000 0.796 272 A HN 0.434 nan 8.150 nan 0.000 0.463 273 N N -0.395 118.311 118.700 0.010 0.000 2.278 273 N HA 0.045 4.785 4.740 -0.000 0.000 0.181 273 N C 1.488 176.990 175.510 -0.013 0.000 1.023 273 N CA 1.205 54.252 53.050 -0.003 0.000 0.862 273 N CB -0.221 38.258 38.487 -0.013 0.000 1.003 273 N HN 0.434 nan 8.380 nan 0.000 0.431 274 I N 0.351 120.907 120.570 -0.023 0.000 2.202 274 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 274 I C 2.401 178.506 176.117 -0.020 0.000 1.091 274 I CA 1.251 62.531 61.300 -0.033 0.000 1.368 274 I CB -0.662 37.305 38.000 -0.054 0.000 1.058 274 I HN 0.289 nan 8.210 nan 0.000 0.410 275 S N 1.704 117.393 115.700 -0.018 0.000 2.372 275 S HA -0.278 4.192 4.470 -0.000 0.000 0.227 275 S C 2.026 176.617 174.600 -0.014 0.000 1.044 275 S CA 1.597 59.787 58.200 -0.017 0.000 1.050 275 S CB -0.970 62.219 63.200 -0.018 0.000 0.901 275 S HN 0.353 nan 8.310 nan 0.000 0.447 276 L N 2.021 123.236 121.223 -0.013 0.000 1.924 276 L HA -0.106 4.234 4.340 -0.000 0.000 0.222 276 L C 2.645 179.513 176.870 -0.004 0.000 1.081 276 L CA 2.744 57.578 54.840 -0.011 0.000 0.780 276 L CB -1.341 40.713 42.059 -0.008 0.000 0.891 276 L HN 0.590 nan 8.230 nan 0.000 0.434 277 E N -1.134 119.072 120.200 0.010 0.000 2.132 277 E HA -0.355 3.995 4.350 -0.000 0.000 0.218 277 E C 1.697 178.342 176.600 0.075 0.000 1.058 277 E CA 2.584 59.014 56.400 0.049 0.000 0.882 277 E CB -0.433 29.299 29.700 0.054 0.000 0.774 277 E HN 0.651 nan 8.360 nan 0.000 0.467 278 T N 0.907 115.486 114.554 0.042 0.000 3.118 278 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 278 T C 1.451 176.165 174.700 0.024 0.000 1.166 278 T CA 0.652 62.775 62.100 0.039 0.000 1.073 278 T CB -0.082 68.788 68.868 0.003 0.000 0.884 278 T HN 0.215 nan 8.240 nan 0.000 0.550 279 L N -0.257 120.968 121.223 0.002 0.000 2.425 279 L HA 0.215 4.555 4.340 -0.000 0.000 0.215 279 L C 2.053 178.883 176.870 -0.067 0.000 1.065 279 L CA 0.577 55.399 54.840 -0.030 0.000 0.842 279 L CB -0.069 41.969 42.059 -0.036 0.000 1.033 279 L HN 0.222 nan 8.230 nan 0.000 0.474 280 E N -0.548 119.592 120.200 -0.100 0.000 2.494 280 E HA -0.030 4.320 4.350 -0.000 0.000 0.193 280 E C 0.602 176.958 176.600 -0.408 0.000 1.074 280 E CA 0.288 56.548 56.400 -0.233 0.000 0.867 280 E CB 0.251 29.793 29.700 -0.264 0.000 0.924 280 E HN 0.465 nan 8.360 nan 0.000 0.502 281 H N -1.100 117.947 119.070 -0.038 0.000 3.398 281 H HA 0.291 4.847 4.556 -0.000 0.000 0.260 281 H C 0.177 175.481 175.328 -0.039 0.000 1.189 281 H CA -0.125 55.902 56.048 -0.035 0.000 1.145 281 H CB 0.734 30.478 29.762 -0.029 0.000 1.599 281 H HN 0.019 nan 8.280 nan 0.000 0.615 282 N N -0.323 118.397 118.700 0.034 0.000 3.455 282 N HA 0.187 4.927 4.740 -0.000 0.000 0.358 282 N C 0.427 175.914 175.510 -0.039 0.000 1.580 282 N CA -0.353 52.699 53.050 0.003 0.000 0.692 282 N CB 0.675 39.163 38.487 0.003 0.000 1.978 282 N HN 0.132 nan 8.380 nan 0.000 0.651 283 G N 0.279 109.054 108.800 -0.042 0.000 2.472 283 G HA2 0.329 4.289 3.960 -0.000 0.000 0.291 283 G HA3 0.329 4.289 3.960 -0.000 0.000 0.291 283 G C -0.150 174.698 174.900 -0.087 0.000 0.898 283 G CA 0.028 45.090 45.100 -0.063 0.000 1.645 283 G HN 0.519 nan 8.290 nan 0.000 0.459 284 A N 5.660 128.400 122.820 -0.133 0.000 2.798 284 A HA 0.534 4.854 4.320 -0.000 0.000 0.316 284 A C -1.364 176.074 177.584 -0.244 0.000 1.506 284 A CA -1.414 50.519 52.037 -0.174 0.000 1.162 284 A CB 0.424 19.302 19.000 -0.205 0.000 1.138 284 A HN 0.510 nan 8.150 nan 0.000 0.532 285 P HA 0.006 nan 4.420 nan 0.000 0.235 285 P C 0.691 177.928 177.300 -0.105 0.000 1.765 285 P CA 0.036 63.059 63.100 -0.129 0.000 1.034 285 P CB -0.322 31.344 31.700 -0.057 0.000 1.984 286 H N 1.342 120.314 119.070 -0.163 0.000 1.455 286 H HA -0.247 4.309 4.556 -0.000 0.000 0.091 286 H C 0.499 175.626 175.328 -0.336 0.000 1.257 286 H CA 2.150 58.002 56.048 -0.327 0.000 1.900 286 H CB -1.234 28.226 29.762 -0.503 0.000 2.256 286 H HN 0.617 nan 8.280 nan 0.000 0.960 287 H N -0.378 118.771 119.070 0.131 0.000 2.533 287 H HA 0.590 5.146 4.556 -0.000 0.000 0.281 287 H C 0.721 176.066 175.328 0.027 0.000 1.238 287 H CA 0.649 56.732 56.048 0.058 0.000 1.024 287 H CB 0.181 29.968 29.762 0.041 0.000 1.604 287 H HN 0.474 nan 8.280 nan 0.000 0.531 288 A N -0.028 122.844 122.820 0.086 0.000 2.551 288 A HA 0.252 4.572 4.320 -0.000 0.000 0.252 288 A C 1.636 179.231 177.584 0.019 0.000 1.199 288 A CA -0.152 51.910 52.037 0.041 0.000 0.972 288 A CB 0.273 19.281 19.000 0.015 0.000 1.153 288 A HN 0.303 nan 8.150 nan 0.000 0.559 289 I N 0.430 121.018 120.570 0.030 0.000 2.512 289 I HA -0.095 4.075 4.170 -0.000 0.000 0.247 289 I C 1.978 178.107 176.117 0.021 0.000 1.094 289 I CA 0.994 62.301 61.300 0.013 0.000 1.427 289 I CB -0.031 37.974 38.000 0.008 0.000 1.149 289 I HN 0.522 nan 8.210 nan 0.000 0.438 290 E N 1.226 121.457 120.200 0.053 0.000 2.495 290 E HA -0.196 4.154 4.350 -0.000 0.000 0.204 290 E C 0.881 177.484 176.600 0.005 0.000 1.163 290 E CA 0.629 57.050 56.400 0.035 0.000 0.922 290 E CB -0.294 29.441 29.700 0.058 0.000 0.918 290 E HN 0.601 nan 8.360 nan 0.000 0.537 291 E N -0.046 120.152 120.200 -0.003 0.000 2.447 291 E HA 0.153 4.503 4.350 -0.000 0.000 0.204 291 E C 1.366 177.939 176.600 -0.045 0.000 0.977 291 E CA 0.446 56.832 56.400 -0.024 0.000 0.950 291 E CB 0.618 30.307 29.700 -0.018 0.000 0.975 291 E HN 0.355 nan 8.360 nan 0.000 0.496 292 A N 0.651 123.450 122.820 -0.036 0.000 2.431 292 A HA 0.088 4.408 4.320 -0.000 0.000 0.239 292 A C 1.560 179.119 177.584 -0.041 0.000 1.230 292 A CA -0.135 51.872 52.037 -0.049 0.000 0.928 292 A CB 0.279 19.255 19.000 -0.040 0.000 1.006 292 A HN 0.027 nan 8.150 nan 0.000 0.520 293 E N 0.479 120.662 120.200 -0.028 0.000 2.415 293 E HA -0.061 4.289 4.350 -0.000 0.000 0.197 293 E C 1.783 178.370 176.600 -0.022 0.000 1.007 293 E CA 1.001 57.391 56.400 -0.017 0.000 0.890 293 E CB 0.229 29.926 29.700 -0.006 0.000 0.891 293 E HN 0.665 nan 8.360 nan 0.000 0.496 294 S N 0.490 116.169 115.700 -0.035 0.000 2.395 294 S HA -0.118 4.351 4.470 -0.000 0.000 0.225 294 S C 2.077 176.669 174.600 -0.014 0.000 1.027 294 S CA 0.413 58.595 58.200 -0.029 0.000 0.965 294 S CB -0.355 62.816 63.200 -0.048 0.000 0.812 294 S HN 0.230 nan 8.310 nan 0.000 0.482 295 L N 1.189 122.362 121.223 -0.083 0.000 2.013 295 L HA 0.004 4.344 4.340 -0.000 0.000 0.212 295 L C 2.316 179.134 176.870 -0.087 0.000 1.073 295 L CA 1.726 56.467 54.840 -0.164 0.000 0.753 295 L CB -0.949 40.978 42.059 -0.219 0.000 0.890 295 L HN 0.409 nan 8.230 nan 0.000 0.432 296 L N -0.488 120.713 121.223 -0.036 0.000 1.976 296 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 296 L C 2.645 179.572 176.870 0.095 0.000 1.071 296 L CA 2.235 57.093 54.840 0.029 0.000 0.746 296 L CB -1.051 41.023 42.059 0.025 0.000 0.890 296 L HN 0.529 nan 8.230 nan 0.000 0.432 297 Q N -1.005 118.841 119.800 0.076 0.000 2.197 297 Q HA -0.310 4.030 4.340 -0.000 0.000 0.211 297 Q C 1.982 178.076 176.000 0.156 0.000 0.993 297 Q CA 2.457 58.315 55.803 0.091 0.000 0.883 297 Q CB -0.745 28.008 28.738 0.024 0.000 0.916 297 Q HN 0.562 nan 8.270 nan 0.000 0.418 298 F N -0.317 119.636 119.950 0.005 0.000 2.009 298 F HA -0.154 4.373 4.527 -0.000 0.000 0.293 298 F C 2.127 178.022 175.800 0.159 0.000 1.156 298 F CA 2.346 60.373 58.000 0.045 0.000 1.168 298 F CB -0.810 38.171 39.000 -0.031 0.000 0.981 298 F HN 0.250 nan 8.300 nan 0.000 0.475 299 H N -0.755 118.452 119.070 0.229 0.000 2.265 299 H HA -0.203 4.353 4.556 -0.000 0.000 0.293 299 H C 2.067 177.417 175.328 0.036 0.000 1.089 299 H CA 1.626 57.723 56.048 0.081 0.000 1.244 299 H CB -0.625 29.222 29.762 0.142 0.000 1.355 299 H HN 0.163 nan 8.280 nan 0.000 0.485 300 V N 0.724 120.758 119.914 0.201 0.000 3.284 300 V HA -0.226 3.894 4.120 -0.000 0.000 0.273 300 V C 1.915 178.118 176.094 0.181 0.000 1.178 300 V CA 1.241 63.633 62.300 0.154 0.000 1.177 300 V CB -0.892 30.999 31.823 0.114 0.000 0.793 300 V HN 0.521 nan 8.190 nan 0.000 0.536 301 A N -1.283 121.605 122.820 0.113 0.000 1.988 301 A HA 0.021 4.341 4.320 -0.000 0.000 0.201 301 A C 2.233 179.817 177.584 0.001 0.000 1.410 301 A CA 1.100 53.178 52.037 0.068 0.000 0.832 301 A CB -0.386 18.629 19.000 0.025 0.000 0.981 301 A HN 0.322 nan 8.150 nan 0.000 0.492 302 T N -1.111 113.364 114.554 -0.133 0.000 2.746 302 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 302 T C 1.727 176.430 174.700 0.005 0.000 1.039 302 T CA 1.883 63.881 62.100 -0.170 0.000 1.142 302 T CB -0.488 68.141 68.868 -0.398 0.000 0.866 302 T HN 0.507 nan 8.240 nan 0.000 0.444 303 Y N 1.405 121.664 120.300 -0.068 0.000 2.173 303 Y HA -0.245 4.305 4.550 -0.000 0.000 0.282 303 Y C 1.962 177.861 175.900 -0.002 0.000 1.192 303 Y CA 1.741 59.824 58.100 -0.029 0.000 1.176 303 Y CB -0.408 38.050 38.460 -0.005 0.000 0.969 303 Y HN 0.282 nan 8.280 nan 0.000 0.519 304 M N -1.252 118.317 119.600 -0.052 0.000 2.447 304 M HA 0.057 4.537 4.480 -0.000 0.000 0.266 304 M C -0.045 176.228 176.300 -0.045 0.000 1.120 304 M CA 0.804 56.025 55.300 -0.131 0.000 1.166 304 M CB 0.324 32.940 32.600 0.026 0.000 1.349 304 M HN 0.024 nan 8.290 nan 0.000 0.463 305 D N -0.764 119.626 120.400 -0.017 0.000 2.819 305 D HA 0.260 4.899 4.640 -0.000 0.000 0.232 305 D C -0.789 175.484 176.300 -0.045 0.000 1.160 305 D CA -0.109 53.877 54.000 -0.024 0.000 0.858 305 D CB 1.721 42.526 40.800 0.008 0.000 1.610 305 D HN -0.119 nan 8.370 nan 0.000 0.481 306 N N 1.174 119.850 118.700 -0.040 0.000 2.129 306 N HA 0.047 4.787 4.740 -0.000 0.000 0.222 306 N C -1.002 174.498 175.510 -0.016 0.000 1.303 306 N CA 0.127 53.156 53.050 -0.036 0.000 0.897 306 N CB 0.724 39.196 38.487 -0.024 0.000 1.093 306 N HN 0.333 nan 8.380 nan 0.000 0.501 307 D N 0.770 121.159 120.400 -0.017 0.000 2.973 307 D HA 0.303 4.943 4.640 -0.000 0.000 0.263 307 D C 0.055 176.354 176.300 -0.002 0.000 1.266 307 D CA -0.018 53.977 54.000 -0.009 0.000 0.975 307 D CB 0.681 41.470 40.800 -0.020 0.000 1.032 307 D HN 0.235 nan 8.370 nan 0.000 0.510 308 I N 0.047 120.623 120.570 0.009 0.000 2.783 308 I HA 0.380 4.550 4.170 -0.000 0.000 0.312 308 I C 1.483 177.618 176.117 0.030 0.000 0.988 308 I CA -0.909 60.403 61.300 0.021 0.000 1.182 308 I CB 1.414 39.431 38.000 0.029 0.000 1.368 308 I HN 0.090 nan 8.210 nan 0.000 0.511 309 A N 2.501 125.341 122.820 0.033 0.000 2.072 309 A HA 0.106 4.426 4.320 -0.000 0.000 0.216 309 A C 1.721 179.332 177.584 0.045 0.000 1.156 309 A CA 0.866 52.923 52.037 0.034 0.000 0.701 309 A CB -0.777 18.242 19.000 0.032 0.000 0.816 309 A HN 0.931 nan 8.150 nan 0.000 0.458 310 G N -0.622 108.211 108.800 0.057 0.000 3.392 310 G HA2 0.295 4.255 3.960 -0.000 0.000 0.247 310 G HA3 0.295 4.255 3.960 -0.000 0.000 0.247 310 G C 0.574 175.526 174.900 0.086 0.000 1.161 310 G CA 0.434 45.576 45.100 0.071 0.000 1.739 310 G HN 0.593 nan 8.290 nan 0.000 0.619 311 Q N -0.275 119.566 119.800 0.068 0.000 2.632 311 Q HA -0.264 4.076 4.340 -0.000 0.000 0.459 311 Q C -1.312 174.746 176.000 0.096 0.000 0.530 311 Q CA 1.914 57.758 55.803 0.069 0.000 1.014 311 Q CB -2.009 26.762 28.738 0.056 0.000 1.769 311 Q HN 0.434 nan 8.270 nan 0.000 1.079 312 P HA -0.201 nan 4.420 nan 0.000 0.250 312 P C -0.495 176.921 177.300 0.193 0.000 1.095 312 P CA 1.220 64.418 63.100 0.164 0.000 0.774 312 P CB 0.104 31.929 31.700 0.209 0.000 0.678 313 Q N 3.008 122.894 119.800 0.144 0.000 2.403 313 Q HA 0.140 4.480 4.340 -0.000 0.000 0.203 313 Q C 0.948 177.035 176.000 0.144 0.000 0.932 313 Q CA 0.573 56.443 55.803 0.112 0.000 0.945 313 Q CB 0.104 28.886 28.738 0.073 0.000 1.045 313 Q HN 0.658 nan 8.270 nan 0.000 0.511 314 A N 1.006 123.983 122.820 0.261 0.000 2.667 314 A HA -0.190 4.130 4.320 -0.000 0.000 0.298 314 A C 0.052 177.739 177.584 0.171 0.000 1.483 314 A CA 0.204 52.430 52.037 0.315 0.000 0.738 314 A CB -2.247 16.913 19.000 0.267 0.000 1.067 314 A HN 0.424 nan 8.150 nan 0.000 0.451 315 L N 0.297 121.599 121.223 0.132 0.000 2.513 315 L HA 0.081 4.421 4.340 -0.000 0.000 0.272 315 L C 1.146 178.067 176.870 0.085 0.000 1.187 315 L CA 0.464 55.358 54.840 0.090 0.000 0.895 315 L CB 0.546 42.647 42.059 0.070 0.000 1.147 315 L HN 0.740 nan 8.230 nan 0.000 0.483 316 Q N 5.061 124.907 119.800 0.077 0.000 2.267 316 Q HA 0.131 4.471 4.340 -0.000 0.000 0.255 316 Q C -0.471 175.563 176.000 0.056 0.000 0.923 316 Q CA -0.796 55.050 55.803 0.071 0.000 0.925 316 Q CB 0.972 29.768 28.738 0.096 0.000 1.195 316 Q HN 0.401 nan 8.270 nan 0.000 0.417 317 K N 2.407 122.830 120.400 0.037 0.000 2.378 317 K HA -0.232 4.088 4.320 -0.000 0.000 0.250 317 K C 0.235 176.857 176.600 0.036 0.000 1.125 317 K CA 1.451 57.754 56.287 0.026 0.000 1.192 317 K CB -0.414 32.090 32.500 0.007 0.000 0.751 317 K HN 1.006 nan 8.250 nan 0.000 0.502 318 S N 0.167 115.885 115.700 0.030 0.000 2.163 318 S HA -0.114 4.356 4.470 -0.000 0.000 0.255 318 S C 0.843 175.461 174.600 0.030 0.000 1.361 318 S CA 0.954 59.172 58.200 0.028 0.000 1.162 318 S CB -1.933 61.287 63.200 0.033 0.000 1.460 318 S HN 1.611 nan 8.310 nan 0.000 0.653 319 G N 1.393 110.214 108.800 0.034 0.000 2.153 319 G HA2 -0.344 3.615 3.960 -0.000 0.000 0.252 319 G HA3 -0.344 3.615 3.960 -0.000 0.000 0.252 319 G C -0.145 174.778 174.900 0.037 0.000 0.994 319 G CA 0.575 45.696 45.100 0.035 0.000 0.698 319 G HN 0.928 nan 8.290 nan 0.000 0.521 320 R N 0.450 120.975 120.500 0.043 0.000 2.267 320 R HA 0.302 4.642 4.340 -0.000 0.000 0.319 320 R C -0.653 175.675 176.300 0.047 0.000 1.067 320 R CA -1.391 54.733 56.100 0.042 0.000 0.936 320 R CB 0.621 30.949 30.300 0.047 0.000 1.006 320 R HN 0.040 nan 8.270 nan 0.000 0.452 321 P HA -0.265 nan 4.420 nan 0.000 0.224 321 P C -0.537 176.789 177.300 0.042 0.000 1.153 321 P CA 1.246 64.368 63.100 0.037 0.000 0.947 321 P CB 0.138 31.852 31.700 0.023 0.000 0.790 322 V N -3.337 116.600 119.914 0.039 0.000 3.031 322 V HA -0.103 4.017 4.120 -0.000 0.000 0.440 322 V C -0.420 175.685 176.094 0.018 0.000 0.682 322 V CA -0.330 61.994 62.300 0.041 0.000 1.974 322 V CB -0.699 31.152 31.823 0.048 0.000 2.460 322 V HN 0.121 nan 8.190 nan 0.000 0.489 323 K N 3.695 124.102 120.400 0.011 0.000 2.183 323 K HA 0.488 4.807 4.320 -0.000 0.000 0.272 323 K C 0.530 177.115 176.600 -0.024 0.000 1.113 323 K CA 0.224 56.504 56.287 -0.011 0.000 0.949 323 K CB 0.865 33.355 32.500 -0.018 0.000 1.365 323 K HN 0.838 nan 8.250 nan 0.000 0.420 324 S N 2.026 117.705 115.700 -0.036 0.000 2.560 324 S HA 0.093 4.563 4.470 -0.000 0.000 0.284 324 S C 1.532 176.070 174.600 -0.105 0.000 1.327 324 S CA -0.646 57.516 58.200 -0.065 0.000 1.055 324 S CB 0.547 63.712 63.200 -0.059 0.000 0.868 324 S HN 0.470 nan 8.310 nan 0.000 0.506 325 I N 1.808 122.271 120.570 -0.178 0.000 2.113 325 I HA -0.346 3.824 4.170 -0.000 0.000 0.242 325 I C 2.963 178.998 176.117 -0.138 0.000 1.057 325 I CA 2.312 63.502 61.300 -0.184 0.000 1.314 325 I CB -0.502 37.330 38.000 -0.280 0.000 1.022 325 I HN 0.875 nan 8.210 nan 0.000 0.408 326 R N 1.689 122.107 120.500 -0.136 0.000 2.136 326 R HA -0.294 4.045 4.340 -0.000 0.000 0.242 326 R C 2.315 178.534 176.300 -0.135 0.000 1.131 326 R CA 2.408 58.410 56.100 -0.163 0.000 0.937 326 R CB -0.681 29.525 30.300 -0.157 0.000 0.863 326 R HN 0.365 nan 8.270 nan 0.000 0.435 327 A N 1.052 123.811 122.820 -0.102 0.000 2.054 327 A HA -0.219 4.101 4.320 -0.000 0.000 0.223 327 A C 2.217 179.757 177.584 -0.074 0.000 1.169 327 A CA 1.926 53.915 52.037 -0.079 0.000 0.655 327 A CB -0.621 18.344 19.000 -0.058 0.000 0.812 327 A HN 0.533 nan 8.150 nan 0.000 0.462 328 R N -0.950 119.504 120.500 -0.078 0.000 2.189 328 R HA 0.065 4.405 4.340 -0.000 0.000 0.218 328 R C 1.515 177.775 176.300 -0.067 0.000 1.074 328 R CA 1.202 57.263 56.100 -0.065 0.000 0.991 328 R CB -0.245 30.017 30.300 -0.063 0.000 0.883 328 R HN 0.587 nan 8.270 nan 0.000 0.457 329 L N -0.053 121.116 121.223 -0.089 0.000 2.515 329 L HA 0.154 4.494 4.340 -0.000 0.000 0.223 329 L C 0.879 177.693 176.870 -0.094 0.000 1.079 329 L CA -0.210 54.574 54.840 -0.093 0.000 0.857 329 L CB -0.163 41.821 42.059 -0.125 0.000 1.050 329 L HN -0.042 nan 8.230 nan 0.000 0.476 330 K N 2.055 122.394 120.400 -0.102 0.000 2.586 330 K HA 0.008 4.328 4.320 -0.000 0.000 0.280 330 K C 0.691 177.253 176.600 -0.065 0.000 0.972 330 K CA 0.401 56.632 56.287 -0.095 0.000 1.040 330 K CB 0.406 32.854 32.500 -0.087 0.000 0.870 330 K HN 0.142 nan 8.250 nan 0.000 0.497 331 G N 3.294 112.059 108.800 -0.058 0.000 2.238 331 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.234 331 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.234 331 G C -0.535 174.358 174.900 -0.011 0.000 1.181 331 G CA 0.634 45.721 45.100 -0.023 0.000 0.871 331 G HN 0.943 nan 8.290 nan 0.000 0.490 332 K N 1.062 121.465 120.400 0.006 0.000 5.248 332 K HA -0.235 4.085 4.320 -0.000 0.000 0.573 332 K C 0.987 177.583 176.600 -0.006 0.000 2.577 332 K CA 1.200 57.491 56.287 0.007 0.000 2.028 332 K CB -0.387 32.118 32.500 0.009 0.000 2.551 332 K HN 0.898 nan 8.250 nan 0.000 0.155 333 E N -2.168 118.030 120.200 -0.004 0.000 3.343 333 E HA -0.262 4.088 4.350 -0.000 0.000 0.281 333 E C 0.358 176.949 176.600 -0.014 0.000 0.914 333 E CA 2.030 58.425 56.400 -0.008 0.000 0.884 333 E CB -1.456 28.238 29.700 -0.010 0.000 1.445 333 E HN 0.746 nan 8.360 nan 0.000 0.468 334 G N -0.513 108.276 108.800 -0.018 0.000 2.687 334 G HA2 0.463 4.423 3.960 -0.000 0.000 0.301 334 G HA3 0.463 4.423 3.960 -0.000 0.000 0.301 334 G C 0.325 175.210 174.900 -0.026 0.000 1.416 334 G CA 0.070 45.155 45.100 -0.025 0.000 1.005 334 G HN 0.005 nan 8.290 nan 0.000 0.509 335 R N 0.810 121.295 120.500 -0.025 0.000 3.453 335 R HA -0.344 3.996 4.340 -0.000 0.000 0.550 335 R C 2.298 178.587 176.300 -0.019 0.000 0.360 335 R CA 2.330 58.416 56.100 -0.023 0.000 0.405 335 R CB -1.215 29.067 30.300 -0.031 0.000 0.593 335 R HN 0.504 nan 8.270 nan 0.000 0.257 336 I N 0.112 120.667 120.570 -0.024 0.000 2.148 336 I HA -0.371 3.798 4.170 -0.000 0.000 0.229 336 I C 2.530 178.644 176.117 -0.005 0.000 0.993 336 I CA 2.360 63.650 61.300 -0.016 0.000 1.295 336 I CB -1.138 36.847 38.000 -0.024 0.000 1.004 336 I HN 0.463 nan 8.210 nan 0.000 0.386 337 R N 0.052 120.551 120.500 -0.002 0.000 2.090 337 R HA -0.074 4.266 4.340 -0.000 0.000 0.228 337 R C 1.863 178.165 176.300 0.004 0.000 1.110 337 R CA 1.370 57.476 56.100 0.010 0.000 0.973 337 R CB -0.278 30.037 30.300 0.024 0.000 0.869 337 R HN 0.518 nan 8.270 nan 0.000 0.440 338 G N -1.088 107.711 108.800 -0.003 0.000 3.393 338 G HA2 0.011 3.971 3.960 -0.000 0.000 0.255 338 G HA3 0.011 3.971 3.960 -0.000 0.000 0.255 338 G C 0.587 175.483 174.900 -0.006 0.000 1.097 338 G CA -0.246 44.852 45.100 -0.003 0.000 0.780 338 G HN 0.208 nan 8.290 nan 0.000 0.540 339 N N -0.680 118.016 118.700 -0.008 0.000 2.372 339 N HA 0.188 4.927 4.740 -0.000 0.000 0.242 339 N C 1.705 177.210 175.510 -0.009 0.000 1.124 339 N CA 0.005 53.050 53.050 -0.009 0.000 0.824 339 N CB 0.640 39.120 38.487 -0.011 0.000 1.468 339 N HN 0.191 nan 8.380 nan 0.000 0.470 340 L N 0.388 121.606 121.223 -0.008 0.000 2.349 340 L HA 0.250 4.589 4.340 -0.000 0.000 0.200 340 L C 1.800 178.664 176.870 -0.010 0.000 1.064 340 L CA 0.392 55.227 54.840 -0.008 0.000 0.821 340 L CB -0.052 42.004 42.059 -0.006 0.000 1.027 340 L HN -0.009 nan 8.230 nan 0.000 0.476 341 M N -0.107 119.489 119.600 -0.006 0.000 2.562 341 M HA 0.181 4.661 4.480 -0.000 0.000 0.257 341 M C 0.658 176.950 176.300 -0.013 0.000 1.099 341 M CA 0.408 55.703 55.300 -0.008 0.000 1.099 341 M CB -0.555 32.045 32.600 0.001 0.000 1.427 341 M HN 0.203 nan 8.290 nan 0.000 0.489 342 G N 0.524 109.317 108.800 -0.012 0.000 2.752 342 G HA2 0.542 4.502 3.960 -0.000 0.000 0.298 342 G HA3 0.542 4.502 3.960 -0.000 0.000 0.298 342 G C -1.224 173.669 174.900 -0.012 0.000 1.434 342 G CA -0.731 44.361 45.100 -0.015 0.000 1.004 342 G HN 0.137 nan 8.290 nan 0.000 0.560 343 K N 0.662 121.053 120.400 -0.015 0.000 2.466 343 K HA 0.600 4.920 4.320 -0.000 0.000 0.260 343 K C -0.162 176.437 176.600 -0.001 0.000 1.011 343 K CA -1.062 55.220 56.287 -0.008 0.000 0.871 343 K CB 2.616 35.110 32.500 -0.010 0.000 1.404 343 K HN 0.446 nan 8.250 nan 0.000 0.450 344 R N 0.604 121.109 120.500 0.009 0.000 2.560 344 R HA 0.483 4.823 4.340 -0.000 0.000 0.270 344 R C -0.214 176.101 176.300 0.026 0.000 1.074 344 R CA -0.716 55.398 56.100 0.023 0.000 1.140 344 R CB 0.995 31.308 30.300 0.022 0.000 1.073 344 R HN 0.480 nan 8.270 nan 0.000 0.527 345 V N -1.970 117.972 119.914 0.047 0.000 3.206 345 V HA 0.472 4.592 4.120 -0.000 0.000 0.305 345 V C -1.150 175.005 176.094 0.101 0.000 1.257 345 V CA -1.091 61.245 62.300 0.060 0.000 1.057 345 V CB 2.477 34.312 31.823 0.019 0.000 1.075 345 V HN 0.593 nan 8.190 nan 0.000 0.443 346 D N 0.414 120.903 120.400 0.148 0.000 2.529 346 D HA 0.547 5.187 4.640 -0.000 0.000 0.273 346 D C -0.153 176.324 176.300 0.295 0.000 1.197 346 D CA 0.032 54.112 54.000 0.133 0.000 1.070 346 D CB 0.383 41.248 40.800 0.107 0.000 1.134 346 D HN 0.765 nan 8.370 nan 0.000 0.590 347 F N -0.309 119.701 119.950 0.100 0.000 2.866 347 F HA -0.235 4.292 4.527 -0.000 0.000 0.254 347 F C 0.097 175.998 175.800 0.168 0.000 1.009 347 F CA 0.161 58.235 58.000 0.123 0.000 0.907 347 F CB -1.992 37.078 39.000 0.117 0.000 0.859 347 F HN 0.153 nan 8.300 nan 0.000 0.842 348 S N -1.004 114.829 115.700 0.222 0.000 2.536 348 S HA 0.986 5.456 4.470 -0.000 0.000 0.271 348 S C -0.587 174.093 174.600 0.134 0.000 1.134 348 S CA -0.382 57.952 58.200 0.224 0.000 0.897 348 S CB 2.337 65.738 63.200 0.334 0.000 1.094 348 S HN 1.234 nan 8.310 nan 0.000 0.473 349 A N 1.624 124.520 122.820 0.126 0.000 2.515 349 A HA 0.969 5.289 4.320 -0.000 0.000 0.296 349 A C -0.715 177.022 177.584 0.255 0.000 1.094 349 A CA -0.957 51.194 52.037 0.190 0.000 0.718 349 A CB 1.913 21.080 19.000 0.280 0.000 1.307 349 A HN 1.051 nan 8.150 nan 0.000 0.408 350 R N -0.072 120.585 120.500 0.261 0.000 2.604 350 R HA 0.680 5.020 4.340 -0.000 0.000 0.270 350 R C -0.869 175.497 176.300 0.109 0.000 1.052 350 R CA 0.456 56.733 56.100 0.294 0.000 0.902 350 R CB 1.994 32.361 30.300 0.112 0.000 1.233 350 R HN 1.372 nan 8.270 nan 0.000 0.455 351 T N -1.393 113.204 114.554 0.072 0.000 2.647 351 T HA 0.361 4.711 4.350 -0.000 0.000 0.302 351 T C -1.047 173.641 174.700 -0.021 0.000 1.389 351 T CA -0.582 61.428 62.100 -0.151 0.000 1.037 351 T CB 0.769 69.336 68.868 -0.502 0.000 1.755 351 T HN 0.198 nan 8.240 nan 0.000 0.467 352 V N 2.116 121.993 119.914 -0.062 0.000 2.644 352 V HA 0.595 4.715 4.120 -0.000 0.000 0.295 352 V C 0.501 176.643 176.094 0.081 0.000 1.053 352 V CA -0.798 61.519 62.300 0.029 0.000 0.987 352 V CB 0.908 32.736 31.823 0.007 0.000 1.006 352 V HN 0.885 nan 8.190 nan 0.000 0.472 353 I N 1.466 122.138 120.570 0.170 0.000 2.607 353 I HA 0.924 5.094 4.170 -0.000 0.000 0.305 353 I C -0.160 175.967 176.117 0.016 0.000 0.995 353 I CA -0.155 61.270 61.300 0.207 0.000 1.148 353 I CB 2.151 40.369 38.000 0.364 0.000 1.323 353 I HN 0.645 nan 8.210 nan 0.000 0.461 354 S N 2.168 117.654 115.700 -0.356 0.000 2.550 354 S HA 0.698 5.167 4.470 -0.000 0.000 0.270 354 S C -0.207 173.618 174.600 -1.292 0.000 1.145 354 S CA -0.751 56.836 58.200 -1.022 0.000 0.852 354 S CB 1.104 64.027 63.200 -0.462 0.000 1.119 354 S HN 1.125 nan 8.310 nan 0.000 0.465 355 G N -0.012 107.703 108.800 -1.808 0.000 2.569 355 G HA2 0.487 4.447 3.960 -0.000 0.000 0.249 355 G HA3 0.487 4.447 3.960 -0.000 0.000 0.249 355 G C -0.881 173.853 174.900 -0.276 0.000 1.216 355 G CA -0.043 44.670 45.100 -0.645 0.000 0.845 355 G HN 0.725 nan 8.290 nan 0.000 0.568 356 D N 1.276 121.614 120.400 -0.103 0.000 2.584 356 D HA 0.137 4.777 4.640 -0.000 0.000 0.238 356 D C -1.952 174.351 176.300 0.005 0.000 1.302 356 D CA -1.053 52.911 54.000 -0.059 0.000 0.884 356 D CB 1.562 42.314 40.800 -0.080 0.000 1.456 356 D HN 0.168 nan 8.370 nan 0.000 0.528 357 P HA -0.027 nan 4.420 nan 0.000 0.261 357 P C 0.201 177.557 177.300 0.093 0.000 1.277 357 P CA 0.327 63.471 63.100 0.073 0.000 0.748 357 P CB 0.189 31.937 31.700 0.080 0.000 1.062 358 N N -0.824 117.918 118.700 0.069 0.000 2.177 358 N HA 0.188 4.928 4.740 -0.000 0.000 0.218 358 N C 0.321 175.854 175.510 0.038 0.000 1.182 358 N CA -0.041 53.059 53.050 0.083 0.000 0.882 358 N CB 0.764 39.302 38.487 0.085 0.000 1.052 358 N HN 0.251 nan 8.380 nan 0.000 0.519 359 L N 1.133 122.367 121.223 0.018 0.000 2.334 359 L HA 0.333 4.673 4.340 -0.000 0.000 0.275 359 L C 0.699 177.571 176.870 0.003 0.000 1.036 359 L CA -0.785 54.049 54.840 -0.010 0.000 0.807 359 L CB 1.185 43.215 42.059 -0.047 0.000 1.231 359 L HN -0.130 nan 8.230 nan 0.000 0.438 360 E N 0.931 121.128 120.200 -0.005 0.000 2.410 360 E HA -0.026 4.324 4.350 -0.000 0.000 0.255 360 E C 0.712 177.307 176.600 -0.009 0.000 1.194 360 E CA -0.272 56.135 56.400 0.012 0.000 0.955 360 E CB 0.767 30.473 29.700 0.010 0.000 0.988 360 E HN 0.400 nan 8.360 nan 0.000 0.461 361 L N 1.827 123.046 121.223 -0.007 0.000 1.970 361 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 361 L C 1.472 178.322 176.870 -0.033 0.000 1.071 361 L CA 2.405 57.204 54.840 -0.069 0.000 0.751 361 L CB -0.750 41.205 42.059 -0.172 0.000 0.889 361 L HN 0.571 nan 8.230 nan 0.000 0.432 362 D N -1.212 119.195 120.400 0.012 0.000 2.390 362 D HA -0.109 4.531 4.640 -0.000 0.000 0.235 362 D C 0.759 177.119 176.300 0.099 0.000 1.040 362 D CA 0.323 54.385 54.000 0.104 0.000 0.923 362 D CB -0.286 40.549 40.800 0.057 0.000 0.886 362 D HN 0.566 nan 8.370 nan 0.000 0.532 363 Q N -0.707 119.072 119.800 -0.035 0.000 2.298 363 Q HA 0.601 4.941 4.340 -0.000 0.000 0.181 363 Q C -0.873 174.941 176.000 -0.310 0.000 1.004 363 Q CA -1.090 54.654 55.803 -0.098 0.000 1.050 363 Q CB 2.203 30.889 28.738 -0.086 0.000 1.254 363 Q HN 0.024 nan 8.270 nan 0.000 0.531 364 V N -0.390 119.348 119.914 -0.293 0.000 2.850 364 V HA 0.323 4.443 4.120 -0.000 0.000 0.276 364 V C -1.173 174.767 176.094 -0.256 0.000 1.467 364 V CA -0.418 61.610 62.300 -0.453 0.000 0.926 364 V CB 1.456 32.781 31.823 -0.831 0.000 1.131 364 V HN 0.809 nan 8.190 nan 0.000 0.453 365 G N 5.680 114.378 108.800 -0.169 0.000 2.346 365 G HA2 0.464 4.423 3.960 -0.000 0.000 0.275 365 G HA3 0.464 4.423 3.960 -0.000 0.000 0.275 365 G C -0.361 174.570 174.900 0.052 0.000 1.190 365 G CA 0.004 45.071 45.100 -0.056 0.000 1.015 365 G HN 0.993 nan 8.290 nan 0.000 0.441 366 V N 6.582 126.522 119.914 0.044 0.000 2.370 366 V HA 0.288 4.408 4.120 -0.000 0.000 0.279 366 V C -1.689 174.416 176.094 0.018 0.000 1.029 366 V CA -1.745 60.633 62.300 0.131 0.000 0.870 366 V CB 1.834 33.724 31.823 0.112 0.000 0.984 366 V HN 0.623 nan 8.190 nan 0.000 0.451 367 P HA 0.092 nan 4.420 nan 0.000 0.271 367 P C 0.578 177.813 177.300 -0.109 0.000 1.216 367 P CA -0.210 62.839 63.100 -0.084 0.000 0.771 367 P CB 1.067 32.691 31.700 -0.126 0.000 0.864 368 K N 3.064 123.365 120.400 -0.165 0.000 2.107 368 K HA -0.263 4.057 4.320 -0.000 0.000 0.211 368 K C 2.045 178.550 176.600 -0.158 0.000 1.049 368 K CA 2.449 58.590 56.287 -0.243 0.000 0.927 368 K CB -0.586 31.762 32.500 -0.254 0.000 0.714 368 K HN 0.425 nan 8.250 nan 0.000 0.452 369 S N 0.381 116.011 115.700 -0.117 0.000 2.372 369 S HA -0.210 4.260 4.470 -0.000 0.000 0.227 369 S C 1.906 176.482 174.600 -0.039 0.000 1.044 369 S CA 1.879 60.032 58.200 -0.078 0.000 1.050 369 S CB -0.389 62.763 63.200 -0.080 0.000 0.901 369 S HN 0.437 nan 8.310 nan 0.000 0.447 370 I N 1.421 121.973 120.570 -0.030 0.000 2.400 370 I HA 0.043 4.213 4.170 -0.000 0.000 0.248 370 I C 2.993 179.156 176.117 0.076 0.000 1.109 370 I CA 0.787 62.106 61.300 0.031 0.000 1.425 370 I CB -0.705 37.329 38.000 0.057 0.000 1.094 370 I HN 0.427 nan 8.210 nan 0.000 0.425 371 A N 0.991 123.838 122.820 0.044 0.000 1.986 371 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 371 A C 2.237 179.944 177.584 0.205 0.000 1.171 371 A CA 1.719 53.819 52.037 0.105 0.000 0.640 371 A CB -0.467 18.519 19.000 -0.023 0.000 0.811 371 A HN 0.353 nan 8.150 nan 0.000 0.451 372 K N -1.434 119.022 120.400 0.094 0.000 2.365 372 K HA 0.012 4.331 4.320 -0.000 0.000 0.197 372 K C 1.627 178.413 176.600 0.310 0.000 1.042 372 K CA 1.166 57.529 56.287 0.126 0.000 0.987 372 K CB 0.001 32.454 32.500 -0.077 0.000 0.779 372 K HN 0.460 nan 8.250 nan 0.000 0.484 373 T N 1.287 115.942 114.554 0.168 0.000 2.866 373 T HA 0.116 4.466 4.350 -0.000 0.000 0.250 373 T C 0.809 175.565 174.700 0.094 0.000 1.033 373 T CA 0.243 62.400 62.100 0.095 0.000 1.145 373 T CB 0.146 69.041 68.868 0.045 0.000 0.866 373 T HN 0.002 nan 8.240 nan 0.000 0.434 374 L N 1.755 123.063 121.223 0.142 0.000 2.426 374 L HA 0.366 4.706 4.340 -0.000 0.000 0.271 374 L C 0.455 177.464 176.870 0.233 0.000 1.169 374 L CA 0.003 54.948 54.840 0.176 0.000 0.836 374 L CB 0.746 42.933 42.059 0.214 0.000 1.112 374 L HN 0.153 nan 8.230 nan 0.000 0.465 375 T N 1.250 115.992 114.554 0.312 0.000 2.906 375 T HA 0.490 4.840 4.350 -0.000 0.000 0.295 375 T C -1.652 173.297 174.700 0.415 0.000 1.075 375 T CA -0.398 61.887 62.100 0.309 0.000 1.005 375 T CB 1.324 70.326 68.868 0.222 0.000 1.136 375 T HN 0.369 nan 8.240 nan 0.000 0.498 376 Y N 4.423 124.809 120.300 0.144 0.000 2.361 376 Y HA 0.584 5.134 4.550 -0.000 0.000 0.337 376 Y C -2.592 173.336 175.900 0.046 0.000 0.965 376 Y CA -2.530 55.614 58.100 0.073 0.000 1.091 376 Y CB 2.259 40.753 38.460 0.056 0.000 1.182 376 Y HN 0.341 nan 8.280 nan 0.000 0.450 377 P HA 0.134 nan 4.420 nan 0.000 0.280 377 P C -0.929 175.972 177.300 -0.664 0.000 1.386 377 P CA 0.105 62.903 63.100 -0.504 0.000 0.899 377 P CB 0.975 32.440 31.700 -0.391 0.000 1.098 378 E N 2.690 122.722 120.200 -0.279 0.000 2.214 378 E HA 0.377 4.727 4.350 -0.000 0.000 0.274 378 E C -0.823 175.749 176.600 -0.048 0.000 0.977 378 E CA -0.982 55.367 56.400 -0.085 0.000 0.827 378 E CB 1.305 31.069 29.700 0.107 0.000 1.130 378 E HN 0.120 nan 8.360 nan 0.000 0.394 379 V N 3.912 123.818 119.914 -0.013 0.000 2.370 379 V HA 0.179 4.299 4.120 -0.000 0.000 0.283 379 V C -0.056 176.038 176.094 0.001 0.000 1.023 379 V CA -1.028 61.273 62.300 0.001 0.000 0.857 379 V CB 1.300 33.124 31.823 0.001 0.000 0.985 379 V HN 0.542 nan 8.190 nan 0.000 0.443 380 V N 4.817 124.730 119.914 -0.001 0.000 2.583 380 V HA 0.062 4.182 4.120 -0.000 0.000 0.302 380 V C 0.713 176.726 176.094 -0.135 0.000 1.033 380 V CA 1.284 63.534 62.300 -0.083 0.000 1.194 380 V CB 0.322 32.077 31.823 -0.113 0.000 0.879 380 V HN 1.047 nan 8.190 nan 0.000 0.482 381 T N 7.709 122.149 114.554 -0.190 0.000 2.933 381 T HA 0.402 4.752 4.350 -0.000 0.000 0.305 381 T C -1.658 172.880 174.700 -0.271 0.000 1.092 381 T CA -0.918 61.049 62.100 -0.221 0.000 1.008 381 T CB 2.262 70.981 68.868 -0.248 0.000 1.102 381 T HN 0.444 nan 8.240 nan 0.000 0.469 382 P HA -0.212 nan 4.420 nan 0.000 0.218 382 P C 1.061 178.406 177.300 0.076 0.000 1.150 382 P CA 1.680 64.803 63.100 0.037 0.000 0.841 382 P CB -0.045 31.802 31.700 0.244 0.000 0.784 383 Y N 0.955 121.284 120.300 0.048 0.000 2.256 383 Y HA -0.217 4.332 4.550 -0.000 0.000 0.288 383 Y C 2.411 178.311 175.900 0.001 0.000 1.155 383 Y CA 1.018 59.133 58.100 0.025 0.000 1.203 383 Y CB -0.861 37.617 38.460 0.030 0.000 0.980 383 Y HN 0.242 nan 8.280 nan 0.000 0.530 384 N N -1.414 117.346 118.700 0.100 0.000 2.516 384 N HA -0.048 4.692 4.740 -0.000 0.000 0.197 384 N C 1.338 176.827 175.510 -0.036 0.000 1.064 384 N CA 0.112 53.184 53.050 0.037 0.000 0.866 384 N CB -0.612 37.901 38.487 0.043 0.000 1.255 384 N HN 0.001 nan 8.380 nan 0.000 0.447 385 I N 2.240 122.736 120.570 -0.124 0.000 3.642 385 I HA -0.491 3.679 4.170 -0.000 0.000 0.171 385 I C 1.169 177.222 176.117 -0.107 0.000 0.746 385 I CA 2.382 63.568 61.300 -0.189 0.000 1.031 385 I CB -1.076 36.748 38.000 -0.294 0.000 0.825 385 I HN 0.336 nan 8.210 nan 0.000 0.296 386 D N -0.315 120.043 120.400 -0.070 0.000 2.182 386 D HA -0.265 4.375 4.640 -0.000 0.000 0.193 386 D C 2.050 178.334 176.300 -0.027 0.000 0.999 386 D CA 2.061 56.036 54.000 -0.041 0.000 0.850 386 D CB -0.577 40.212 40.800 -0.018 0.000 0.994 386 D HN 0.423 nan 8.370 nan 0.000 0.450 387 R N 0.679 121.171 120.500 -0.012 0.000 2.134 387 R HA -0.196 4.144 4.340 -0.000 0.000 0.248 387 R C 2.710 179.006 176.300 -0.006 0.000 1.143 387 R CA 1.324 57.422 56.100 -0.003 0.000 0.957 387 R CB -0.609 29.698 30.300 0.010 0.000 0.867 387 R HN 0.168 nan 8.270 nan 0.000 0.441 388 L N -0.168 121.048 121.223 -0.012 0.000 2.012 388 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 388 L C 2.402 179.264 176.870 -0.014 0.000 1.073 388 L CA 2.053 56.887 54.840 -0.010 0.000 0.748 388 L CB -0.385 41.660 42.059 -0.023 0.000 0.891 388 L HN 0.377 nan 8.230 nan 0.000 0.431 389 T N -1.821 112.714 114.554 -0.032 0.000 2.833 389 T HA -0.248 4.102 4.350 -0.000 0.000 0.269 389 T C 1.705 176.398 174.700 -0.011 0.000 1.054 389 T CA 1.117 63.200 62.100 -0.028 0.000 1.135 389 T CB -0.153 68.687 68.868 -0.047 0.000 0.869 389 T HN 0.195 nan 8.240 nan 0.000 0.466 390 Q N 1.267 121.061 119.800 -0.011 0.000 2.020 390 Q HA 0.032 4.372 4.340 -0.000 0.000 0.202 390 Q C 2.146 178.147 176.000 0.001 0.000 0.982 390 Q CA 1.483 57.283 55.803 -0.005 0.000 0.838 390 Q CB -0.844 27.890 28.738 -0.006 0.000 0.899 390 Q HN 0.524 nan 8.270 nan 0.000 0.423 391 L N -0.631 120.594 121.223 0.003 0.000 2.013 391 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 391 L C 2.338 179.218 176.870 0.017 0.000 1.073 391 L CA 1.289 56.135 54.840 0.011 0.000 0.753 391 L CB -0.701 41.367 42.059 0.015 0.000 0.890 391 L HN 0.113 nan 8.230 nan 0.000 0.432 392 V N -0.562 119.361 119.914 0.014 0.000 2.343 392 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 392 V C 2.607 178.714 176.094 0.022 0.000 1.051 392 V CA 1.710 64.023 62.300 0.021 0.000 1.036 392 V CB -0.709 31.132 31.823 0.030 0.000 0.654 392 V HN 0.392 nan 8.190 nan 0.000 0.451 393 R N 0.119 120.629 120.500 0.016 0.000 2.073 393 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 393 R C 2.356 178.667 176.300 0.018 0.000 1.134 393 R CA 1.558 57.667 56.100 0.015 0.000 0.952 393 R CB -0.459 29.845 30.300 0.008 0.000 0.850 393 R HN 0.517 nan 8.270 nan 0.000 0.433 394 N N -0.060 118.650 118.700 0.017 0.000 2.192 394 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 394 N C 0.988 176.518 175.510 0.032 0.000 1.013 394 N CA 1.538 54.600 53.050 0.020 0.000 0.863 394 N CB -0.134 38.362 38.487 0.016 0.000 0.990 394 N HN 0.410 nan 8.380 nan 0.000 0.430 395 G N -0.423 108.399 108.800 0.038 0.000 2.685 395 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.387 395 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.387 395 G C -2.449 172.500 174.900 0.081 0.000 1.324 395 G CA -0.127 44.998 45.100 0.042 0.000 0.878 395 G HN 0.116 nan 8.290 nan 0.000 0.527 396 P HA 0.197 nan 4.420 nan 0.000 0.263 396 P C 0.480 177.876 177.300 0.160 0.000 1.448 396 P CA 0.273 63.450 63.100 0.129 0.000 0.983 396 P CB 0.235 31.912 31.700 -0.037 0.000 1.481 397 N N -0.523 118.236 118.700 0.098 0.000 2.557 397 N HA 0.062 4.802 4.740 -0.000 0.000 0.217 397 N C 0.734 176.251 175.510 0.012 0.000 1.062 397 N CA 0.214 53.291 53.050 0.046 0.000 0.863 397 N CB 0.049 38.555 38.487 0.031 0.000 1.390 397 N HN 0.133 nan 8.380 nan 0.000 0.445 398 E N -0.091 120.119 120.200 0.016 0.000 2.391 398 E HA -0.037 4.313 4.350 -0.000 0.000 0.255 398 E C 0.353 176.927 176.600 -0.043 0.000 1.187 398 E CA -0.012 56.386 56.400 -0.003 0.000 0.941 398 E CB 0.783 30.486 29.700 0.004 0.000 1.010 398 E HN 0.286 nan 8.360 nan 0.000 0.458 399 H N 1.514 120.505 119.070 -0.131 0.000 2.390 399 H HA 0.064 4.620 4.556 -0.000 0.000 0.314 399 H C -1.774 173.449 175.328 -0.176 0.000 1.053 399 H CA 0.401 56.311 56.048 -0.230 0.000 1.353 399 H CB -1.106 28.561 29.762 -0.159 0.000 1.464 399 H HN 0.254 nan 8.280 nan 0.000 0.571 400 P HA 0.147 nan 4.420 nan 0.000 0.250 400 P C -0.493 176.698 177.300 -0.181 0.000 1.198 400 P CA 1.189 63.941 63.100 -0.580 0.000 1.118 400 P CB -0.008 31.531 31.700 -0.268 0.000 1.208 401 G N 1.323 110.145 108.800 0.036 0.000 2.650 401 G HA2 0.772 4.732 3.960 -0.000 0.000 0.310 401 G HA3 0.772 4.732 3.960 -0.000 0.000 0.310 401 G C -1.844 173.195 174.900 0.231 0.000 1.270 401 G CA -0.080 45.133 45.100 0.188 0.000 0.810 401 G HN 0.487 nan 8.290 nan 0.000 0.493 402 A N -1.121 121.696 122.820 -0.006 0.000 2.567 402 A HA 0.866 5.186 4.320 -0.000 0.000 0.289 402 A C -0.520 176.894 177.584 -0.283 0.000 1.177 402 A CA 0.106 51.986 52.037 -0.261 0.000 0.694 402 A CB 1.448 20.395 19.000 -0.088 0.000 1.292 402 A HN 1.391 nan 8.150 nan 0.000 0.425 403 K N -0.900 119.331 120.400 -0.282 0.000 2.788 403 K HA 0.527 4.847 4.320 -0.000 0.000 0.190 403 K C -1.290 175.131 176.600 -0.298 0.000 1.143 403 K CA -0.097 56.006 56.287 -0.308 0.000 1.099 403 K CB 0.373 32.610 32.500 -0.439 0.000 0.767 403 K HN 0.566 nan 8.250 nan 0.000 0.466 404 Y N 0.104 120.352 120.300 -0.087 0.000 2.318 404 Y HA 0.190 4.740 4.550 -0.000 0.000 0.317 404 Y C -1.426 174.444 175.900 -0.049 0.000 1.290 404 Y CA -1.365 56.691 58.100 -0.072 0.000 1.177 404 Y CB 1.958 40.376 38.460 -0.071 0.000 1.307 404 Y HN -0.183 nan 8.280 nan 0.000 0.428 405 V N 5.755 125.746 119.914 0.128 0.000 2.628 405 V HA 0.603 4.723 4.120 -0.000 0.000 0.306 405 V C -0.387 175.664 176.094 -0.072 0.000 1.045 405 V CA -0.683 61.654 62.300 0.062 0.000 0.905 405 V CB 2.087 33.984 31.823 0.123 0.000 0.997 405 V HN 0.503 nan 8.190 nan 0.000 0.436 406 I N 2.266 122.758 120.570 -0.129 0.000 2.512 406 I HA 0.695 4.865 4.170 -0.000 0.000 0.287 406 I C -0.384 175.436 176.117 -0.495 0.000 1.069 406 I CA -0.905 60.221 61.300 -0.290 0.000 1.056 406 I CB 1.831 39.697 38.000 -0.223 0.000 1.229 406 I HN 0.485 nan 8.210 nan 0.000 0.429 407 R N 2.351 122.310 120.500 -0.902 0.000 2.549 407 R HA 0.354 4.693 4.340 -0.000 0.000 0.259 407 R C 0.660 176.551 176.300 -0.682 0.000 1.095 407 R CA -0.540 54.640 56.100 -1.533 0.000 1.148 407 R CB 0.391 29.476 30.300 -2.025 0.000 1.181 407 R HN 0.711 nan 8.270 nan 0.000 0.571 408 D N 0.086 120.211 120.400 -0.458 0.000 2.149 408 D HA -0.261 4.379 4.640 -0.000 0.000 0.194 408 D C 1.124 177.325 176.300 -0.166 0.000 1.001 408 D CA 1.796 55.700 54.000 -0.159 0.000 0.849 408 D CB -0.562 40.240 40.800 0.004 0.000 0.939 408 D HN 0.479 nan 8.370 nan 0.000 0.449 409 S N -0.189 115.395 115.700 -0.193 0.000 2.795 409 S HA 0.121 4.590 4.470 -0.000 0.000 0.236 409 S C 1.569 176.077 174.600 -0.153 0.000 0.973 409 S CA 0.186 58.300 58.200 -0.144 0.000 0.982 409 S CB -1.556 61.565 63.200 -0.131 0.000 0.786 409 S HN 0.654 nan 8.310 nan 0.000 0.538 410 G N 0.786 109.481 108.800 -0.176 0.000 2.357 410 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.282 410 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.282 410 G C -0.455 174.350 174.900 -0.160 0.000 0.910 410 G CA 0.498 45.504 45.100 -0.157 0.000 1.267 410 G HN 0.719 nan 8.290 nan 0.000 0.476 411 D N -0.664 119.611 120.400 -0.209 0.000 2.879 411 D HA 0.470 5.110 4.640 -0.000 0.000 0.236 411 D C 0.349 176.510 176.300 -0.230 0.000 1.171 411 D CA -0.798 53.088 54.000 -0.190 0.000 0.868 411 D CB 0.987 41.685 40.800 -0.171 0.000 1.598 411 D HN 0.370 nan 8.370 nan 0.000 0.497 412 R N 3.225 123.592 120.500 -0.221 0.000 2.221 412 R HA 0.497 4.837 4.340 -0.000 0.000 0.327 412 R C -0.138 176.050 176.300 -0.186 0.000 1.033 412 R CA -0.529 55.400 56.100 -0.285 0.000 0.887 412 R CB 1.063 31.115 30.300 -0.413 0.000 1.057 412 R HN 0.400 nan 8.270 nan 0.000 0.455 413 I N 2.606 123.097 120.570 -0.132 0.000 2.297 413 I HA 0.046 4.215 4.170 -0.000 0.000 0.291 413 I C 0.074 176.259 176.117 0.113 0.000 1.033 413 I CA -0.527 60.762 61.300 -0.017 0.000 1.253 413 I CB 1.058 39.058 38.000 0.000 0.000 1.396 413 I HN 0.452 nan 8.210 nan 0.000 0.476 414 D N 7.343 127.818 120.400 0.125 0.000 2.402 414 D HA 0.115 4.755 4.640 -0.000 0.000 0.235 414 D C 1.198 177.500 176.300 0.003 0.000 1.226 414 D CA -0.008 54.106 54.000 0.190 0.000 0.918 414 D CB 0.948 41.758 40.800 0.017 0.000 1.043 414 D HN 0.497 nan 8.370 nan 0.000 0.506 415 L N 3.510 124.736 121.223 0.006 0.000 2.197 415 L HA -0.244 4.096 4.340 -0.000 0.000 0.215 415 L C 2.313 179.158 176.870 -0.042 0.000 1.095 415 L CA 1.220 56.045 54.840 -0.024 0.000 0.764 415 L CB -0.220 41.814 42.059 -0.041 0.000 0.897 415 L HN 0.417 nan 8.230 nan 0.000 0.436 416 R N -1.733 118.677 120.500 -0.149 0.000 2.236 416 R HA -0.021 4.319 4.340 -0.000 0.000 0.208 416 R C 0.959 177.461 176.300 0.336 0.000 1.036 416 R CA 0.662 56.751 56.100 -0.019 0.000 1.001 416 R CB -0.182 30.045 30.300 -0.121 0.000 0.896 416 R HN 0.375 nan 8.270 nan 0.000 0.464 417 Y N 0.887 121.197 120.300 0.017 0.000 2.583 417 Y HA 0.158 4.708 4.550 -0.000 0.000 0.116 417 Y C 0.687 176.603 175.900 0.026 0.000 0.926 417 Y CA -0.784 57.328 58.100 0.020 0.000 1.758 417 Y CB -0.302 38.173 38.460 0.025 0.000 1.119 417 Y HN 0.025 nan 8.280 nan 0.000 0.307 418 S N 2.132 117.972 115.700 0.232 0.000 4.412 418 S HA -0.237 4.233 4.470 -0.000 0.000 0.380 418 S C 0.605 175.261 174.600 0.094 0.000 0.805 418 S CA 0.634 58.910 58.200 0.126 0.000 1.256 418 S CB -0.454 62.802 63.200 0.093 0.000 2.159 418 S HN 0.682 nan 8.310 nan 0.000 0.379 419 K N 4.083 124.526 120.400 0.073 0.000 2.520 419 K HA -0.139 4.181 4.320 -0.000 0.000 0.198 419 K C 1.419 178.050 176.600 0.051 0.000 1.045 419 K CA 1.751 58.070 56.287 0.054 0.000 0.934 419 K CB -0.190 32.334 32.500 0.040 0.000 0.766 419 K HN 0.730 nan 8.250 nan 0.000 0.483 420 R N 0.010 120.545 120.500 0.058 0.000 2.393 420 R HA 0.227 4.567 4.340 -0.000 0.000 0.244 420 R C 1.796 178.131 176.300 0.058 0.000 0.920 420 R CA 0.347 56.481 56.100 0.056 0.000 1.076 420 R CB 0.197 30.535 30.300 0.062 0.000 1.119 420 R HN 0.263 nan 8.270 nan 0.000 0.524 421 A N 1.486 124.342 122.820 0.060 0.000 1.901 421 A HA -0.280 4.040 4.320 -0.000 0.000 0.227 421 A C 2.174 179.787 177.584 0.047 0.000 1.551 421 A CA 2.377 54.448 52.037 0.057 0.000 0.769 421 A CB -1.521 17.514 19.000 0.058 0.000 0.845 421 A HN 0.464 nan 8.150 nan 0.000 0.481 422 G N -1.428 107.396 108.800 0.039 0.000 2.559 422 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.216 422 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.216 422 G C 1.067 175.984 174.900 0.029 0.000 1.126 422 G CA 1.241 46.359 45.100 0.031 0.000 0.778 422 G HN 0.666 nan 8.290 nan 0.000 0.543 423 D N 0.869 121.290 120.400 0.035 0.000 1.761 423 D HA -0.042 4.598 4.640 -0.000 0.000 0.299 423 D C 1.191 177.512 176.300 0.035 0.000 1.042 423 D CA 0.027 54.047 54.000 0.033 0.000 0.906 423 D CB -0.248 40.576 40.800 0.040 0.000 1.328 423 D HN 0.193 nan 8.370 nan 0.000 0.486 424 I N 0.433 121.035 120.570 0.053 0.000 4.483 424 I HA -0.285 3.884 4.170 -0.000 0.000 0.126 424 I C -0.445 175.681 176.117 0.014 0.000 1.103 424 I CA 0.283 61.624 61.300 0.068 0.000 2.686 424 I CB -0.442 37.620 38.000 0.102 0.000 1.678 424 I HN 0.316 nan 8.210 nan 0.000 0.331 425 Q N 6.817 126.599 119.800 -0.030 0.000 2.316 425 Q HA 0.689 5.029 4.340 -0.000 0.000 0.264 425 Q C -0.344 175.499 176.000 -0.261 0.000 0.987 425 Q CA -0.928 54.804 55.803 -0.119 0.000 0.852 425 Q CB 2.325 30.989 28.738 -0.123 0.000 1.287 425 Q HN 0.535 nan 8.270 nan 0.000 0.448 426 L N 1.426 122.474 121.223 -0.293 0.000 2.456 426 L HA 0.302 4.642 4.340 -0.000 0.000 0.257 426 L C 0.427 176.849 176.870 -0.746 0.000 1.162 426 L CA -0.432 54.128 54.840 -0.466 0.000 0.808 426 L CB 0.528 42.423 42.059 -0.274 0.000 1.136 426 L HN 0.406 nan 8.230 nan 0.000 0.466 427 Q N 0.950 120.089 119.800 -1.101 0.000 2.304 427 Q HA 0.308 4.648 4.340 -0.000 0.000 0.270 427 Q C -1.442 174.257 176.000 -0.502 0.000 1.035 427 Q CA -0.783 54.438 55.803 -0.970 0.000 0.781 427 Q CB 2.141 29.883 28.738 -1.661 0.000 1.261 427 Q HN 0.318 nan 8.270 nan 0.000 0.444 428 Y N 0.617 120.745 120.300 -0.286 0.000 2.895 428 Y HA 0.095 4.645 4.550 -0.000 0.000 0.334 428 Y C 1.647 177.513 175.900 -0.057 0.000 1.261 428 Y CA 2.272 60.283 58.100 -0.148 0.000 1.560 428 Y CB 0.140 38.523 38.460 -0.129 0.000 1.253 428 Y HN 1.001 nan 8.280 nan 0.000 0.582 429 G N 0.519 109.408 108.800 0.148 0.000 2.339 429 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.209 429 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.209 429 G C -0.082 174.988 174.900 0.283 0.000 1.015 429 G CA -0.508 44.706 45.100 0.190 0.000 0.635 429 G HN 0.486 nan 8.290 nan 0.000 0.499 430 W N 1.707 122.991 121.300 -0.027 0.000 2.079 430 W HA 0.711 5.371 4.660 -0.000 0.000 0.354 430 W C 0.845 177.331 176.519 -0.056 0.000 1.302 430 W CA -0.174 57.145 57.345 -0.043 0.000 1.281 430 W CB 0.322 29.755 29.460 -0.044 0.000 1.165 430 W HN 0.143 nan 8.180 nan 0.000 0.603 431 K N 0.082 120.572 120.400 0.150 0.000 2.295 431 K HA 0.669 4.989 4.320 -0.000 0.000 0.239 431 K C -1.349 175.286 176.600 0.057 0.000 0.991 431 K CA -0.918 55.397 56.287 0.047 0.000 0.845 431 K CB 2.074 34.553 32.500 -0.035 0.000 1.197 431 K HN 0.084 nan 8.250 nan 0.000 0.441 432 V N 2.463 122.393 119.914 0.027 0.000 2.443 432 V HA 0.120 4.240 4.120 -0.000 0.000 0.272 432 V C -0.732 175.377 176.094 0.026 0.000 1.002 432 V CA -0.847 61.479 62.300 0.043 0.000 0.840 432 V CB 1.028 32.881 31.823 0.049 0.000 1.042 432 V HN 0.720 nan 8.190 nan 0.000 0.446 433 E N 4.897 125.124 120.200 0.044 0.000 2.606 433 E HA 0.091 4.441 4.350 -0.000 0.000 0.248 433 E C 0.257 176.869 176.600 0.020 0.000 1.005 433 E CA 0.226 56.661 56.400 0.060 0.000 0.946 433 E CB 0.717 30.521 29.700 0.172 0.000 0.928 433 E HN 0.749 nan 8.360 nan 0.000 0.494 434 R N 2.413 122.931 120.500 0.030 0.000 2.960 434 R HA 0.446 4.786 4.340 -0.000 0.000 0.249 434 R C 0.006 176.293 176.300 -0.022 0.000 1.192 434 R CA -0.906 55.176 56.100 -0.031 0.000 1.035 434 R CB 0.831 31.165 30.300 0.055 0.000 1.234 434 R HN 0.380 nan 8.270 nan 0.000 0.493 435 H N 0.295 119.412 119.070 0.078 0.000 2.615 435 H HA 0.162 4.718 4.556 -0.000 0.000 0.363 435 H C 0.437 175.849 175.328 0.139 0.000 1.148 435 H CA -0.220 55.891 56.048 0.105 0.000 1.401 435 H CB 0.712 30.508 29.762 0.057 0.000 1.461 435 H HN 0.280 nan 8.280 nan 0.000 0.588 436 I N 2.822 123.580 120.570 0.313 0.000 2.710 436 I HA -0.051 4.119 4.170 -0.000 0.000 0.286 436 I C 0.937 177.185 176.117 0.218 0.000 1.181 436 I CA 0.785 62.215 61.300 0.216 0.000 1.430 436 I CB -0.323 37.793 38.000 0.192 0.000 1.367 436 I HN 0.398 nan 8.210 nan 0.000 0.577 437 M N 3.156 122.832 119.600 0.127 0.000 2.755 437 M HA 0.330 4.810 4.480 -0.000 0.000 0.298 437 M C -0.554 175.793 176.300 0.079 0.000 1.251 437 M CA -1.108 54.271 55.300 0.131 0.000 0.817 437 M CB 1.342 33.987 32.600 0.075 0.000 1.760 437 M HN 0.288 nan 8.290 nan 0.000 0.473 438 D N 2.213 122.661 120.400 0.081 0.000 2.479 438 D HA 0.065 4.705 4.640 -0.000 0.000 0.257 438 D C -0.206 176.100 176.300 0.009 0.000 1.230 438 D CA 1.339 55.361 54.000 0.037 0.000 0.912 438 D CB -0.136 40.684 40.800 0.033 0.000 1.130 438 D HN 0.602 nan 8.370 nan 0.000 0.515 439 N N 1.192 119.889 118.700 -0.005 0.000 3.041 439 N HA -0.147 4.593 4.740 -0.000 0.000 0.238 439 N C -1.285 174.200 175.510 -0.041 0.000 1.005 439 N CA 0.274 53.312 53.050 -0.019 0.000 0.919 439 N CB -0.694 37.783 38.487 -0.017 0.000 1.104 439 N HN 0.373 nan 8.380 nan 0.000 0.551 440 D N 1.296 121.667 120.400 -0.049 0.000 2.312 440 D HA 0.209 4.849 4.640 -0.000 0.000 0.252 440 D C -2.088 174.169 176.300 -0.071 0.000 1.150 440 D CA -1.017 52.921 54.000 -0.102 0.000 0.870 440 D CB 0.768 41.495 40.800 -0.122 0.000 1.153 440 D HN 0.151 nan 8.370 nan 0.000 0.457 441 P HA 0.067 nan 4.420 nan 0.000 0.276 441 P C -0.554 176.728 177.300 -0.030 0.000 1.230 441 P CA -0.357 62.716 63.100 -0.045 0.000 0.776 441 P CB 1.063 32.734 31.700 -0.047 0.000 0.888 442 V N 1.269 121.179 119.914 -0.007 0.000 3.078 442 V HA 0.465 4.585 4.120 -0.000 0.000 0.311 442 V C -0.719 175.394 176.094 0.031 0.000 1.138 442 V CA -1.220 61.094 62.300 0.023 0.000 1.007 442 V CB 2.492 34.335 31.823 0.033 0.000 1.045 442 V HN 0.397 nan 8.190 nan 0.000 0.432 443 L N 3.003 124.269 121.223 0.072 0.000 2.265 443 L HA 0.558 4.898 4.340 -0.000 0.000 0.288 443 L C -1.225 175.724 176.870 0.132 0.000 1.058 443 L CA -0.082 54.808 54.840 0.084 0.000 0.809 443 L CB 1.043 43.170 42.059 0.115 0.000 1.179 443 L HN 0.852 nan 8.230 nan 0.000 0.429 444 F N 6.526 126.411 119.950 -0.107 0.000 2.470 444 F HA 0.539 5.066 4.527 -0.000 0.000 0.329 444 F C 0.051 175.748 175.800 -0.170 0.000 1.072 444 F CA -0.679 57.217 58.000 -0.174 0.000 0.989 444 F CB 1.422 40.416 39.000 -0.010 0.000 1.193 444 F HN 0.622 nan 8.300 nan 0.000 0.481 445 N N 3.331 121.600 118.700 -0.719 0.000 2.859 445 N HA 0.282 5.022 4.740 -0.000 0.000 0.250 445 N C -2.191 172.961 175.510 -0.596 0.000 1.341 445 N CA -0.714 52.046 53.050 -0.483 0.000 0.881 445 N CB 2.208 40.616 38.487 -0.131 0.000 1.516 445 N HN 0.813 nan 8.380 nan 0.000 0.503 446 R N 1.824 122.141 120.500 -0.305 0.000 2.483 446 R HA 0.328 4.668 4.340 -0.000 0.000 0.303 446 R C -0.907 175.355 176.300 -0.064 0.000 0.987 446 R CA -0.387 55.590 56.100 -0.205 0.000 0.881 446 R CB 1.225 31.439 30.300 -0.143 0.000 1.177 446 R HN 0.561 nan 8.270 nan 0.000 0.451 447 Q N 4.507 124.269 119.800 -0.064 0.000 2.340 447 Q HA 0.292 4.632 4.340 -0.000 0.000 0.249 447 Q C -1.925 174.064 176.000 -0.018 0.000 0.957 447 Q CA -1.827 53.960 55.803 -0.027 0.000 0.882 447 Q CB 0.874 29.599 28.738 -0.023 0.000 1.235 447 Q HN 0.496 nan 8.270 nan 0.000 0.439 448 P HA 0.027 nan 4.420 nan 0.000 0.271 448 P C -1.025 176.271 177.300 -0.006 0.000 1.216 448 P CA -0.127 62.966 63.100 -0.012 0.000 0.771 448 P CB 0.893 32.582 31.700 -0.019 0.000 0.864 449 S N 3.068 118.765 115.700 -0.005 0.000 2.422 449 S HA 0.350 4.820 4.470 -0.000 0.000 0.298 449 S C 0.307 174.895 174.600 -0.020 0.000 1.118 449 S CA -0.393 57.811 58.200 0.007 0.000 1.083 449 S CB 0.019 63.227 63.200 0.012 0.000 0.971 449 S HN 0.348 nan 8.310 nan 0.000 0.478 450 L N 1.857 123.060 121.223 -0.032 0.000 3.313 450 L HA 0.533 4.872 4.340 -0.000 0.000 0.339 450 L C -0.404 176.382 176.870 -0.139 0.000 1.309 450 L CA -0.189 54.590 54.840 -0.102 0.000 0.867 450 L CB -1.226 40.740 42.059 -0.156 0.000 1.316 450 L HN 0.640 nan 8.230 nan 0.000 0.604 451 H N -1.152 117.883 119.070 -0.059 0.000 3.017 451 H HA 0.417 4.973 4.556 -0.000 0.000 0.346 451 H C 0.215 175.500 175.328 -0.071 0.000 1.286 451 H CA -0.771 55.232 56.048 -0.075 0.000 1.120 451 H CB 2.548 32.267 29.762 -0.072 0.000 1.860 451 H HN -0.059 nan 8.280 nan 0.000 0.542 452 K N 1.040 121.480 120.400 0.067 0.000 2.026 452 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 452 K C 1.354 177.938 176.600 -0.025 0.000 1.048 452 K CA 1.825 58.103 56.287 -0.016 0.000 0.929 452 K CB -0.036 32.427 32.500 -0.060 0.000 0.713 452 K HN 0.463 nan 8.250 nan 0.000 0.439 453 M N 0.625 120.164 119.600 -0.101 0.000 2.706 453 M HA -0.082 4.398 4.480 -0.000 0.000 0.253 453 M C 1.726 177.971 176.300 -0.092 0.000 1.063 453 M CA 0.970 56.153 55.300 -0.195 0.000 1.067 453 M CB -0.055 32.289 32.600 -0.427 0.000 1.423 453 M HN -0.111 nan 8.290 nan 0.000 0.530 454 S N -0.157 115.593 115.700 0.084 0.000 2.515 454 S HA 0.189 4.659 4.470 -0.000 0.000 0.231 454 S C 0.629 175.385 174.600 0.259 0.000 0.987 454 S CA 0.695 59.009 58.200 0.191 0.000 0.936 454 S CB -0.050 63.237 63.200 0.144 0.000 0.766 454 S HN 0.426 nan 8.310 nan 0.000 0.528 455 M N 1.231 120.932 119.600 0.168 0.000 2.165 455 M HA 0.456 4.936 4.480 -0.000 0.000 0.283 455 M C -1.152 175.215 176.300 0.111 0.000 0.978 455 M CA 0.161 55.563 55.300 0.170 0.000 0.948 455 M CB 1.963 34.612 32.600 0.082 0.000 1.599 455 M HN 0.054 nan 8.290 nan 0.000 0.450 456 M N 1.530 121.226 119.600 0.160 0.000 2.658 456 M HA 0.814 5.294 4.480 -0.000 0.000 0.295 456 M C -0.545 175.649 176.300 -0.178 0.000 1.248 456 M CA -0.846 54.425 55.300 -0.047 0.000 0.843 456 M CB 2.618 35.140 32.600 -0.130 0.000 1.749 456 M HN 0.712 nan 8.290 nan 0.000 0.464 457 A N 0.754 123.439 122.820 -0.225 0.000 2.306 457 A HA 0.730 5.050 4.320 -0.000 0.000 0.314 457 A C -1.088 176.290 177.584 -0.343 0.000 1.164 457 A CA -0.461 51.451 52.037 -0.209 0.000 0.822 457 A CB 0.383 19.326 19.000 -0.095 0.000 1.130 457 A HN 0.821 nan 8.150 nan 0.000 0.496 458 H N 0.712 119.777 119.070 -0.008 0.000 2.855 458 H HA 0.437 4.993 4.556 -0.000 0.000 0.363 458 H C -0.519 174.764 175.328 -0.075 0.000 1.185 458 H CA -0.669 55.342 56.048 -0.061 0.000 1.174 458 H CB 1.314 30.983 29.762 -0.155 0.000 1.857 458 H HN 0.699 nan 8.280 nan 0.000 0.565 459 R N 0.570 121.117 120.500 0.077 0.000 2.308 459 R HA 0.326 4.666 4.340 -0.000 0.000 0.305 459 R C -0.364 175.925 176.300 -0.019 0.000 1.053 459 R CA -0.629 55.477 56.100 0.010 0.000 0.957 459 R CB 1.153 31.453 30.300 -0.000 0.000 1.022 459 R HN 0.151 nan 8.270 nan 0.000 0.461 460 V N 3.987 123.887 119.914 -0.023 0.000 2.530 460 V HA 0.100 4.220 4.120 -0.000 0.000 0.282 460 V C 0.131 176.209 176.094 -0.026 0.000 1.048 460 V CA 0.236 62.517 62.300 -0.032 0.000 0.997 460 V CB 1.178 32.997 31.823 -0.006 0.000 0.987 460 V HN 0.502 nan 8.190 nan 0.000 0.477 461 K N 5.026 125.402 120.400 -0.040 0.000 2.616 461 K HA 0.341 4.661 4.320 -0.000 0.000 0.241 461 K C -1.067 175.511 176.600 -0.035 0.000 0.961 461 K CA -0.486 55.782 56.287 -0.033 0.000 0.942 461 K CB 1.500 33.972 32.500 -0.047 0.000 1.153 461 K HN 0.444 nan 8.250 nan 0.000 0.452 462 V N 6.136 126.029 119.914 -0.035 0.000 2.529 462 V HA 0.202 4.322 4.120 -0.000 0.000 0.292 462 V C 0.866 176.907 176.094 -0.089 0.000 1.028 462 V CA -0.115 62.130 62.300 -0.092 0.000 1.074 462 V CB -0.449 31.256 31.823 -0.196 0.000 0.958 462 V HN 0.580 nan 8.190 nan 0.000 0.481 463 I N 3.253 123.773 120.570 -0.083 0.000 3.074 463 I HA 0.747 4.917 4.170 -0.000 0.000 0.310 463 I C -2.565 173.519 176.117 -0.054 0.000 1.153 463 I CA -2.534 58.738 61.300 -0.047 0.000 0.993 463 I CB 2.483 40.478 38.000 -0.009 0.000 1.237 463 I HN 0.362 nan 8.210 nan 0.000 0.443 464 P HA 0.214 nan 4.420 nan 0.000 0.302 464 P C -0.769 176.539 177.300 0.014 0.000 1.301 464 P CA 0.338 63.379 63.100 -0.098 0.000 0.745 464 P CB 0.277 31.869 31.700 -0.179 0.000 1.331 465 Y N -2.939 117.314 120.300 -0.079 0.000 2.537 465 Y HA -0.238 4.312 4.550 -0.000 0.000 0.382 465 Y C 1.443 177.281 175.900 -0.104 0.000 1.683 465 Y CA 1.122 59.174 58.100 -0.081 0.000 1.418 465 Y CB -2.137 36.279 38.460 -0.073 0.000 2.033 465 Y HN 0.252 nan 8.280 nan 0.000 0.268 466 S N -0.373 115.366 115.700 0.066 0.000 2.561 466 S HA 0.306 4.776 4.470 -0.000 0.000 0.245 466 S C -0.303 174.214 174.600 -0.137 0.000 1.001 466 S CA 0.187 58.350 58.200 -0.062 0.000 1.002 466 S CB -0.154 63.005 63.200 -0.068 0.000 0.805 466 S HN 0.688 nan 8.310 nan 0.000 0.458 467 T N -0.752 113.735 114.554 -0.112 0.000 2.886 467 T HA 0.617 4.967 4.350 -0.000 0.000 0.292 467 T C -0.311 174.328 174.700 -0.102 0.000 1.012 467 T CA -0.741 61.261 62.100 -0.162 0.000 0.982 467 T CB 0.531 69.341 68.868 -0.097 0.000 1.018 467 T HN 0.135 nan 8.240 nan 0.000 0.451 468 F N 2.191 122.145 119.950 0.007 0.000 2.590 468 F HA 0.182 4.709 4.527 -0.000 0.000 0.389 468 F C 1.568 177.329 175.800 -0.066 0.000 1.049 468 F CA -0.357 57.639 58.000 -0.006 0.000 1.199 468 F CB 0.453 39.566 39.000 0.187 0.000 1.058 468 F HN 0.275 nan 8.300 nan 0.000 0.556 469 R N 5.726 126.256 120.500 0.051 0.000 2.288 469 R HA 0.473 4.813 4.340 -0.000 0.000 0.326 469 R C -0.917 175.312 176.300 -0.118 0.000 0.959 469 R CA -0.829 55.232 56.100 -0.066 0.000 0.834 469 R CB 1.172 31.422 30.300 -0.084 0.000 1.157 469 R HN 0.590 nan 8.270 nan 0.000 0.470 470 L N -0.417 120.757 121.223 -0.081 0.000 2.322 470 L HA 0.592 4.931 4.340 -0.000 0.000 0.269 470 L C 0.107 176.974 176.870 -0.004 0.000 1.012 470 L CA -1.139 53.642 54.840 -0.099 0.000 0.815 470 L CB 1.185 43.267 42.059 0.037 0.000 1.295 470 L HN 0.321 nan 8.230 nan 0.000 0.438 471 N N 1.108 119.791 118.700 -0.027 0.000 2.453 471 N HA 0.122 4.862 4.740 -0.000 0.000 0.253 471 N C 0.660 176.238 175.510 0.113 0.000 1.252 471 N CA 0.051 53.116 53.050 0.026 0.000 0.917 471 N CB 1.158 39.635 38.487 -0.018 0.000 1.117 471 N HN 0.895 nan 8.380 nan 0.000 0.442 472 L N 1.598 122.900 121.223 0.132 0.000 2.027 472 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 472 L C 2.352 179.283 176.870 0.102 0.000 1.074 472 L CA 1.056 55.998 54.840 0.170 0.000 0.745 472 L CB -0.431 41.725 42.059 0.162 0.000 0.898 472 L HN 0.549 nan 8.230 nan 0.000 0.433 473 S N -0.935 114.798 115.700 0.055 0.000 2.419 473 S HA -0.152 4.318 4.470 -0.000 0.000 0.233 473 S C 1.524 176.074 174.600 -0.084 0.000 1.016 473 S CA 0.934 59.134 58.200 -0.001 0.000 0.974 473 S CB -0.175 63.008 63.200 -0.028 0.000 0.786 473 S HN 0.267 nan 8.310 nan 0.000 0.492 474 V N 1.845 121.715 119.914 -0.073 0.000 3.490 474 V HA 0.061 4.181 4.120 -0.000 0.000 0.315 474 V C 1.740 177.864 176.094 0.050 0.000 1.284 474 V CA 0.888 63.147 62.300 -0.069 0.000 1.233 474 V CB -0.713 31.125 31.823 0.026 0.000 1.101 474 V HN 0.499 nan 8.190 nan 0.000 0.425 475 T N 0.019 114.613 114.554 0.067 0.000 2.755 475 T HA -0.131 4.219 4.350 -0.000 0.000 0.251 475 T C 2.217 176.942 174.700 0.041 0.000 1.044 475 T CA 1.896 64.061 62.100 0.108 0.000 1.154 475 T CB -0.168 68.721 68.868 0.035 0.000 0.866 475 T HN 0.805 nan 8.240 nan 0.000 0.416 476 S N 1.775 117.467 115.700 -0.013 0.000 2.420 476 S HA -0.058 4.412 4.470 -0.000 0.000 0.237 476 S C -0.694 173.877 174.600 -0.049 0.000 1.023 476 S CA 1.225 59.410 58.200 -0.024 0.000 0.991 476 S CB -1.663 61.522 63.200 -0.024 0.000 0.792 476 S HN 0.455 nan 8.310 nan 0.000 0.488 477 P HA 0.039 nan 4.420 nan 0.000 0.215 477 P C 0.921 178.128 177.300 -0.155 0.000 1.157 477 P CA 0.945 63.893 63.100 -0.255 0.000 0.856 477 P CB -0.198 31.233 31.700 -0.447 0.000 0.786 478 Y N -1.524 118.783 120.300 0.012 0.000 2.439 478 Y HA -0.019 4.531 4.550 -0.000 0.000 0.292 478 Y C 0.782 176.689 175.900 0.012 0.000 1.130 478 Y CA 0.220 58.330 58.100 0.018 0.000 1.254 478 Y CB -0.368 38.107 38.460 0.025 0.000 1.000 478 Y HN -0.006 nan 8.280 nan 0.000 0.554 479 N N 0.612 119.389 118.700 0.128 0.000 2.621 479 N HA -0.171 4.569 4.740 -0.000 0.000 0.269 479 N C -1.279 174.257 175.510 0.044 0.000 1.154 479 N CA 0.620 53.706 53.050 0.061 0.000 0.696 479 N CB -0.902 37.619 38.487 0.056 0.000 0.878 479 N HN 0.359 nan 8.380 nan 0.000 0.550 480 A N 2.012 124.840 122.820 0.013 0.000 2.539 480 A HA 0.708 5.028 4.320 -0.000 0.000 0.296 480 A C -0.947 176.514 177.584 -0.206 0.000 1.073 480 A CA -0.267 51.744 52.037 -0.043 0.000 0.700 480 A CB 1.368 20.384 19.000 0.026 0.000 1.296 480 A HN 0.595 nan 8.150 nan 0.000 0.405 481 D N -0.967 119.297 120.400 -0.226 0.000 2.450 481 D HA 0.596 5.236 4.640 -0.000 0.000 0.238 481 D C -0.466 175.655 176.300 -0.298 0.000 1.020 481 D CA -0.577 53.202 54.000 -0.368 0.000 1.010 481 D CB 0.747 41.447 40.800 -0.166 0.000 1.342 481 D HN 0.298 nan 8.370 nan 0.000 0.530 482 F N -0.646 119.323 119.950 0.032 0.000 2.641 482 F HA 0.112 4.639 4.527 -0.000 0.000 0.302 482 F C 1.000 176.811 175.800 0.017 0.000 1.098 482 F CA -0.708 57.309 58.000 0.029 0.000 1.318 482 F CB 0.241 39.258 39.000 0.029 0.000 1.035 482 F HN 0.294 nan 8.300 nan 0.000 0.551 483 D N 0.309 120.782 120.400 0.121 0.000 2.387 483 D HA 0.052 4.692 4.640 -0.000 0.000 0.257 483 D C 1.506 177.845 176.300 0.066 0.000 1.198 483 D CA 0.770 54.815 54.000 0.075 0.000 0.945 483 D CB -0.466 40.351 40.800 0.029 0.000 0.907 483 D HN 0.363 nan 8.370 nan 0.000 0.518 484 G N -0.316 108.540 108.800 0.093 0.000 2.141 484 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.164 484 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.164 484 G C -0.629 174.308 174.900 0.061 0.000 1.009 484 G CA -0.372 44.767 45.100 0.065 0.000 0.677 484 G HN 0.362 nan 8.290 nan 0.000 0.508 485 D N 0.887 121.339 120.400 0.086 0.000 2.302 485 D HA 0.503 5.143 4.640 -0.000 0.000 0.248 485 D C 0.607 176.956 176.300 0.083 0.000 1.094 485 D CA 0.271 54.312 54.000 0.067 0.000 0.897 485 D CB 1.133 41.970 40.800 0.061 0.000 1.200 485 D HN 0.486 nan 8.370 nan 0.000 0.429 486 E N 0.994 121.223 120.200 0.048 0.000 2.212 486 E HA 0.562 4.912 4.350 -0.000 0.000 0.270 486 E C -0.244 176.361 176.600 0.008 0.000 0.956 486 E CA -0.682 55.751 56.400 0.054 0.000 0.825 486 E CB 1.937 31.658 29.700 0.034 0.000 1.167 486 E HN 0.258 nan 8.360 nan 0.000 0.400 487 M N 1.450 121.065 119.600 0.026 0.000 2.550 487 M HA 0.380 4.860 4.480 -0.000 0.000 0.292 487 M C -1.122 175.048 176.300 -0.216 0.000 1.221 487 M CA -1.035 54.129 55.300 -0.226 0.000 0.873 487 M CB 2.162 34.419 32.600 -0.571 0.000 1.727 487 M HN 0.357 nan 8.290 nan 0.000 0.459 488 N N 1.769 120.217 118.700 -0.421 0.000 2.456 488 N HA 0.696 5.435 4.740 -0.000 0.000 0.296 488 N C -1.572 173.605 175.510 -0.555 0.000 1.102 488 N CA -0.485 52.344 53.050 -0.369 0.000 0.924 488 N CB 1.870 40.167 38.487 -0.316 0.000 1.186 488 N HN 0.456 nan 8.380 nan 0.000 0.492 489 L N 2.301 123.275 121.223 -0.415 0.000 2.381 489 L HA 0.449 4.789 4.340 -0.000 0.000 0.274 489 L C -1.236 175.447 176.870 -0.312 0.000 0.988 489 L CA -0.456 54.220 54.840 -0.272 0.000 0.824 489 L CB 1.061 43.016 42.059 -0.173 0.000 1.263 489 L HN 0.502 nan 8.230 nan 0.000 0.410 490 H N 3.924 123.038 119.070 0.073 0.000 2.524 490 H HA 0.606 5.162 4.556 -0.000 0.000 0.353 490 H C -1.007 174.383 175.328 0.104 0.000 1.136 490 H CA -0.662 55.443 56.048 0.094 0.000 1.193 490 H CB 2.403 32.203 29.762 0.063 0.000 1.558 490 H HN 0.417 nan 8.280 nan 0.000 0.515 491 V N 5.971 126.049 119.914 0.273 0.000 2.384 491 V HA 0.183 4.302 4.120 -0.000 0.000 0.287 491 V C -1.667 174.513 176.094 0.143 0.000 1.020 491 V CA -1.512 60.911 62.300 0.205 0.000 0.850 491 V CB 1.707 33.691 31.823 0.270 0.000 0.987 491 V HN 0.670 nan 8.190 nan 0.000 0.436 492 P HA 0.028 nan 4.420 nan 0.000 0.273 492 P C -0.471 176.872 177.300 0.072 0.000 1.252 492 P CA 0.288 63.425 63.100 0.061 0.000 0.809 492 P CB 1.350 33.080 31.700 0.050 0.000 1.017 493 Q N -1.809 118.024 119.800 0.055 0.000 2.225 493 Q HA 0.170 4.510 4.340 -0.000 0.000 0.230 493 Q C 0.056 176.050 176.000 -0.010 0.000 0.729 493 Q CA 0.339 56.123 55.803 -0.032 0.000 0.918 493 Q CB 0.250 28.831 28.738 -0.263 0.000 1.262 493 Q HN 0.375 nan 8.270 nan 0.000 0.473 494 S N 0.649 116.364 115.700 0.026 0.000 2.578 494 S HA 0.166 4.636 4.470 -0.000 0.000 0.283 494 S C 0.499 175.161 174.600 0.102 0.000 1.195 494 S CA -0.392 57.821 58.200 0.021 0.000 1.050 494 S CB 1.539 64.735 63.200 -0.007 0.000 1.012 494 S HN 0.225 nan 8.310 nan 0.000 0.511 495 E N 2.079 122.342 120.200 0.106 0.000 2.267 495 E HA -0.213 4.137 4.350 -0.000 0.000 0.197 495 E C 1.638 178.282 176.600 0.073 0.000 0.998 495 E CA 1.748 58.225 56.400 0.128 0.000 0.830 495 E CB 0.011 29.775 29.700 0.108 0.000 0.751 495 E HN 0.821 nan 8.360 nan 0.000 0.491 496 E N -2.005 118.224 120.200 0.049 0.000 2.250 496 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 496 E C 1.872 178.485 176.600 0.022 0.000 0.986 496 E CA 0.984 57.404 56.400 0.032 0.000 0.849 496 E CB -0.282 29.432 29.700 0.024 0.000 0.797 496 E HN -0.017 nan 8.360 nan 0.000 0.482 497 T N 1.444 116.012 114.554 0.024 0.000 2.674 497 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 497 T C 1.785 176.494 174.700 0.015 0.000 1.039 497 T CA 1.930 64.037 62.100 0.013 0.000 1.150 497 T CB -0.173 68.703 68.868 0.014 0.000 0.864 497 T HN 0.260 nan 8.240 nan 0.000 0.427 498 R N 1.680 122.197 120.500 0.028 0.000 2.112 498 R HA -0.105 4.235 4.340 -0.000 0.000 0.242 498 R C 2.733 179.031 176.300 -0.003 0.000 1.137 498 R CA 1.519 57.621 56.100 0.003 0.000 0.944 498 R CB -1.027 29.264 30.300 -0.016 0.000 0.857 498 R HN 0.360 nan 8.270 nan 0.000 0.435 499 A N 1.768 124.593 122.820 0.007 0.000 1.929 499 A HA -0.311 4.009 4.320 -0.000 0.000 0.221 499 A C 2.104 179.687 177.584 -0.001 0.000 1.211 499 A CA 2.179 54.220 52.037 0.006 0.000 0.657 499 A CB -0.676 18.335 19.000 0.018 0.000 0.827 499 A HN 0.523 nan 8.150 nan 0.000 0.462 500 E N -0.871 119.328 120.200 -0.003 0.000 2.153 500 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 500 E C 1.966 178.554 176.600 -0.020 0.000 0.988 500 E CA 0.965 57.358 56.400 -0.012 0.000 0.811 500 E CB -0.189 29.501 29.700 -0.017 0.000 0.746 500 E HN 0.697 nan 8.360 nan 0.000 0.466 501 L N 0.326 121.538 121.223 -0.018 0.000 2.049 501 L HA -0.137 4.203 4.340 -0.000 0.000 0.203 501 L C 2.640 179.492 176.870 -0.031 0.000 1.074 501 L CA 1.274 56.100 54.840 -0.024 0.000 0.749 501 L CB -0.366 41.682 42.059 -0.018 0.000 0.907 501 L HN 0.150 nan 8.230 nan 0.000 0.439 502 S N -1.293 114.391 115.700 -0.026 0.000 2.423 502 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 502 S C 1.849 176.435 174.600 -0.024 0.000 1.014 502 S CA 0.760 58.944 58.200 -0.026 0.000 0.965 502 S CB -0.190 62.997 63.200 -0.022 0.000 0.785 502 S HN 0.298 nan 8.310 nan 0.000 0.495 503 Q N -0.121 119.666 119.800 -0.021 0.000 2.408 503 Q HA 0.445 4.785 4.340 -0.000 0.000 0.205 503 Q C 0.979 176.959 176.000 -0.033 0.000 0.919 503 Q CA 0.532 56.322 55.803 -0.021 0.000 0.932 503 Q CB 0.199 28.930 28.738 -0.012 0.000 1.058 503 Q HN 0.569 nan 8.270 nan 0.000 0.517 504 L N -3.264 117.936 121.223 -0.039 0.000 3.154 504 L HA 0.153 4.493 4.340 -0.000 0.000 0.280 504 L C 1.069 177.906 176.870 -0.055 0.000 1.134 504 L CA 0.323 55.133 54.840 -0.050 0.000 1.037 504 L CB 0.319 42.346 42.059 -0.052 0.000 1.571 504 L HN -0.000 nan 8.230 nan 0.000 0.576 505 C N 0.487 119.756 119.300 -0.052 0.000 2.912 505 C HA 0.602 5.061 4.460 -0.000 0.000 0.274 505 C C 1.527 176.469 174.990 -0.080 0.000 1.248 505 C CA -0.642 58.340 59.018 -0.061 0.000 1.694 505 C CB -0.562 27.149 27.740 -0.049 0.000 2.024 505 C HN 0.376 nan 8.230 nan 0.000 0.605 506 A N 1.086 123.864 122.820 -0.069 0.000 2.540 506 A HA 0.308 4.627 4.320 -0.000 0.000 0.239 506 A C 1.440 178.974 177.584 -0.083 0.000 1.061 506 A CA 0.280 52.272 52.037 -0.075 0.000 0.758 506 A CB 0.283 19.256 19.000 -0.045 0.000 0.991 506 A HN 0.252 nan 8.150 nan 0.000 0.502 507 V N 3.936 123.793 119.914 -0.096 0.000 2.278 507 V HA -0.222 3.897 4.120 -0.000 0.000 0.251 507 V C -0.308 175.739 176.094 -0.077 0.000 1.062 507 V CA 2.799 65.045 62.300 -0.090 0.000 1.038 507 V CB -1.558 30.252 31.823 -0.023 0.000 0.646 507 V HN 0.837 nan 8.190 nan 0.000 0.447 508 P HA -0.153 nan 4.420 nan 0.000 0.218 508 P C 1.759 179.045 177.300 -0.023 0.000 1.146 508 P CA 1.410 64.497 63.100 -0.023 0.000 0.813 508 P CB -0.065 31.635 31.700 0.001 0.000 0.778 509 L N -1.325 119.875 121.223 -0.038 0.000 2.240 509 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 509 L C 2.120 178.953 176.870 -0.060 0.000 1.106 509 L CA 0.950 55.766 54.840 -0.040 0.000 0.793 509 L CB -0.690 41.343 42.059 -0.044 0.000 0.927 509 L HN -0.082 nan 8.230 nan 0.000 0.446 510 Q N -0.063 119.686 119.800 -0.085 0.000 2.472 510 Q HA 0.027 4.367 4.340 -0.000 0.000 0.208 510 Q C 2.146 178.079 176.000 -0.112 0.000 0.958 510 Q CA 0.694 56.428 55.803 -0.115 0.000 0.932 510 Q CB -0.042 28.600 28.738 -0.159 0.000 1.007 510 Q HN 0.571 nan 8.270 nan 0.000 0.508 511 I N -0.272 120.255 120.570 -0.072 0.000 2.145 511 I HA -0.200 3.970 4.170 -0.000 0.000 0.244 511 I C 0.708 176.808 176.117 -0.030 0.000 1.075 511 I CA 0.956 62.236 61.300 -0.034 0.000 1.332 511 I CB -0.125 37.903 38.000 0.046 0.000 1.033 511 I HN -0.122 nan 8.210 nan 0.000 0.410 512 V N 1.841 121.734 119.914 -0.035 0.000 2.304 512 V HA 0.122 4.242 4.120 -0.000 0.000 0.269 512 V C 0.310 176.356 176.094 -0.081 0.000 1.036 512 V CA -0.273 61.999 62.300 -0.046 0.000 0.840 512 V CB 1.060 32.879 31.823 -0.008 0.000 1.036 512 V HN 0.251 nan 8.190 nan 0.000 0.466 513 S N 8.192 123.833 115.700 -0.099 0.000 2.505 513 S HA 0.320 4.790 4.470 -0.000 0.000 0.276 513 S C -0.809 173.756 174.600 -0.059 0.000 1.274 513 S CA -1.086 57.055 58.200 -0.098 0.000 1.053 513 S CB 1.240 64.362 63.200 -0.130 0.000 0.919 513 S HN 0.638 nan 8.310 nan 0.000 0.490 514 P HA -0.092 nan 4.420 nan 0.000 0.231 514 P C 0.983 178.375 177.300 0.154 0.000 1.168 514 P CA 0.619 63.755 63.100 0.062 0.000 0.779 514 P CB -0.025 31.730 31.700 0.090 0.000 0.844 515 Q N 1.372 121.210 119.800 0.062 0.000 2.508 515 Q HA -0.052 4.288 4.340 -0.000 0.000 0.214 515 Q C 0.773 176.792 176.000 0.032 0.000 0.979 515 Q CA 1.626 57.459 55.803 0.049 0.000 0.911 515 Q CB -0.621 28.098 28.738 -0.031 0.000 0.969 515 Q HN 0.225 nan 8.270 nan 0.000 0.504 516 S N -0.711 114.955 115.700 -0.058 0.000 2.885 516 S HA 0.101 4.571 4.470 -0.000 0.000 0.238 516 S C -0.533 173.942 174.600 -0.209 0.000 0.766 516 S CA -0.384 57.662 58.200 -0.256 0.000 1.089 516 S CB -1.260 61.800 63.200 -0.233 0.000 1.396 516 S HN 0.572 nan 8.310 nan 0.000 0.509 517 N N 2.089 120.733 118.700 -0.093 0.000 2.730 517 N HA -0.294 4.446 4.740 -0.000 0.000 0.266 517 N C -0.440 175.037 175.510 -0.055 0.000 0.949 517 N CA 1.887 54.923 53.050 -0.024 0.000 0.829 517 N CB -1.639 36.875 38.487 0.045 0.000 0.916 517 N HN 1.019 nan 8.380 nan 0.000 0.558 518 K N -2.982 117.325 120.400 -0.154 0.000 2.579 518 K HA 0.549 4.869 4.320 -0.000 0.000 0.284 518 K C -3.389 173.040 176.600 -0.285 0.000 0.990 518 K CA -1.925 54.144 56.287 -0.363 0.000 0.880 518 K CB 2.070 34.420 32.500 -0.249 0.000 1.488 518 K HN -0.100 nan 8.250 nan 0.000 0.425 519 P HA -0.010 nan 4.420 nan 0.000 0.270 519 P C 0.540 177.783 177.300 -0.095 0.000 1.223 519 P CA -0.298 62.725 63.100 -0.129 0.000 0.785 519 P CB 0.590 32.255 31.700 -0.058 0.000 0.923 520 C N 0.048 119.306 119.300 -0.070 0.000 3.491 520 C HA 0.536 4.996 4.460 -0.000 0.000 0.298 520 C C 0.393 175.341 174.990 -0.070 0.000 1.424 520 C CA -0.441 58.523 59.018 -0.090 0.000 1.772 520 C CB -1.117 26.529 27.740 -0.156 0.000 2.447 520 C HN 0.369 nan 8.230 nan 0.000 0.670 521 M N 1.049 120.643 119.600 -0.009 0.000 2.530 521 M HA 0.670 5.150 4.480 -0.000 0.000 0.307 521 M C 0.451 176.874 176.300 0.205 0.000 1.161 521 M CA 0.326 55.635 55.300 0.015 0.000 0.903 521 M CB 2.336 34.855 32.600 -0.135 0.000 1.711 521 M HN 0.372 nan 8.290 nan 0.000 0.451 522 G N 1.656 110.600 108.800 0.240 0.000 3.354 522 G HA2 0.773 4.733 3.960 -0.000 0.000 0.174 522 G HA3 0.773 4.733 3.960 -0.000 0.000 0.174 522 G C -1.226 173.869 174.900 0.325 0.000 1.140 522 G CA -0.416 44.849 45.100 0.276 0.000 0.897 522 G HN 0.575 nan 8.290 nan 0.000 0.685 523 I N 0.899 121.556 120.570 0.146 0.000 2.571 523 I HA 0.474 4.644 4.170 -0.000 0.000 0.289 523 I C -0.742 175.417 176.117 0.069 0.000 1.115 523 I CA -0.609 60.761 61.300 0.117 0.000 1.045 523 I CB 2.114 40.138 38.000 0.040 0.000 1.238 523 I HN 0.192 nan 8.210 nan 0.000 0.424 524 V N 4.277 124.234 119.914 0.071 0.000 3.145 524 V HA 0.538 4.658 4.120 -0.000 0.000 0.311 524 V C 0.161 176.283 176.094 0.046 0.000 1.238 524 V CA -0.627 61.701 62.300 0.048 0.000 1.066 524 V CB 1.491 33.340 31.823 0.042 0.000 1.144 524 V HN 0.888 nan 8.190 nan 0.000 0.465 525 Q N -0.106 119.719 119.800 0.042 0.000 1.890 525 Q HA -0.348 3.992 4.340 -0.000 0.000 0.435 525 Q C 1.083 177.108 176.000 0.042 0.000 0.839 525 Q CA 1.957 57.791 55.803 0.052 0.000 0.778 525 Q CB -1.538 27.242 28.738 0.070 0.000 3.954 525 Q HN 0.948 nan 8.270 nan 0.000 0.790 526 D N 0.469 120.906 120.400 0.061 0.000 2.355 526 D HA -0.192 4.447 4.640 -0.000 0.000 0.192 526 D C 1.969 178.283 176.300 0.023 0.000 1.014 526 D CA 2.912 56.942 54.000 0.051 0.000 0.862 526 D CB -0.829 40.014 40.800 0.071 0.000 0.986 526 D HN 0.651 nan 8.370 nan 0.000 0.456 527 T N 0.505 115.080 114.554 0.036 0.000 2.680 527 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 527 T C 1.828 176.522 174.700 -0.010 0.000 1.033 527 T CA 1.398 63.511 62.100 0.021 0.000 1.152 527 T CB -0.466 68.428 68.868 0.044 0.000 0.859 527 T HN 0.056 nan 8.240 nan 0.000 0.452 528 L N 0.775 121.994 121.223 -0.006 0.000 1.982 528 L HA 0.068 4.408 4.340 -0.000 0.000 0.206 528 L C 2.792 179.626 176.870 -0.061 0.000 1.078 528 L CA 1.507 56.329 54.840 -0.029 0.000 0.749 528 L CB -1.432 40.620 42.059 -0.011 0.000 0.894 528 L HN 0.440 nan 8.230 nan 0.000 0.436 529 C N 0.388 119.647 119.300 -0.068 0.000 2.318 529 C HA -0.250 4.210 4.460 -0.000 0.000 0.272 529 C C 2.860 177.749 174.990 -0.169 0.000 1.156 529 C CA 1.594 60.525 59.018 -0.146 0.000 1.783 529 C CB -1.679 25.948 27.740 -0.189 0.000 2.023 529 C HN 0.766 nan 8.230 nan 0.000 0.437 530 G N -0.263 108.468 108.800 -0.114 0.000 2.446 530 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 530 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 530 G C 1.619 176.468 174.900 -0.085 0.000 1.168 530 G CA 0.992 46.075 45.100 -0.027 0.000 0.771 530 G HN 0.714 nan 8.290 nan 0.000 0.551 531 I N 0.520 121.024 120.570 -0.110 0.000 2.399 531 I HA -0.190 3.980 4.170 -0.000 0.000 0.254 531 I C 2.789 178.790 176.117 -0.193 0.000 1.146 531 I CA 1.586 62.785 61.300 -0.169 0.000 1.412 531 I CB -0.070 37.853 38.000 -0.127 0.000 1.076 531 I HN 0.265 nan 8.210 nan 0.000 0.432 532 R N 1.043 121.453 120.500 -0.149 0.000 2.055 532 R HA -0.159 4.181 4.340 -0.000 0.000 0.228 532 R C 2.256 178.468 176.300 -0.146 0.000 1.143 532 R CA 1.315 57.335 56.100 -0.133 0.000 0.945 532 R CB -0.265 29.976 30.300 -0.098 0.000 0.841 532 R HN 0.202 nan 8.270 nan 0.000 0.429 533 K N 0.748 121.079 120.400 -0.116 0.000 2.015 533 K HA -0.229 4.091 4.320 -0.000 0.000 0.220 533 K C 2.137 178.619 176.600 -0.196 0.000 1.055 533 K CA 1.927 58.191 56.287 -0.038 0.000 0.951 533 K CB -0.717 31.876 32.500 0.155 0.000 0.725 533 K HN 0.212 nan 8.250 nan 0.000 0.449 534 L N 1.603 122.452 121.223 -0.623 0.000 2.357 534 L HA -0.214 4.125 4.340 -0.000 0.000 0.220 534 L C 1.991 178.535 176.870 -0.543 0.000 1.123 534 L CA 1.799 55.982 54.840 -1.094 0.000 0.782 534 L CB -0.466 40.731 42.059 -1.435 0.000 0.910 534 L HN 0.159 nan 8.230 nan 0.000 0.442 535 T N -0.511 113.841 114.554 -0.338 0.000 2.781 535 T HA 0.106 4.456 4.350 -0.000 0.000 0.252 535 T C 0.796 175.395 174.700 -0.168 0.000 1.039 535 T CA 0.150 62.110 62.100 -0.233 0.000 1.147 535 T CB -0.227 68.532 68.868 -0.180 0.000 0.865 535 T HN 0.196 nan 8.240 nan 0.000 0.423 536 L N 2.177 123.333 121.223 -0.111 0.000 3.127 536 L HA -0.221 4.119 4.340 -0.000 0.000 0.373 536 L C 1.765 178.599 176.870 -0.060 0.000 1.223 536 L CA 0.203 55.010 54.840 -0.055 0.000 0.806 536 L CB 0.246 42.300 42.059 -0.008 0.000 1.070 536 L HN 0.271 nan 8.230 nan 0.000 0.630 537 R N 1.636 122.122 120.500 -0.022 0.000 2.105 537 R HA -0.212 4.128 4.340 -0.000 0.000 0.239 537 R C 1.578 177.931 176.300 0.088 0.000 1.135 537 R CA 1.801 57.895 56.100 -0.010 0.000 0.967 537 R CB -0.300 30.029 30.300 0.048 0.000 0.861 537 R HN 0.718 nan 8.270 nan 0.000 0.442 538 D N 0.388 120.867 120.400 0.132 0.000 2.158 538 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 538 D C -0.037 176.452 176.300 0.316 0.000 0.995 538 D CA 1.023 55.155 54.000 0.219 0.000 0.846 538 D CB 0.022 40.903 40.800 0.133 0.000 0.941 538 D HN 0.010 nan 8.370 nan 0.000 0.456 539 T N 0.741 115.389 114.554 0.157 0.000 2.738 539 T HA 0.228 4.578 4.350 -0.000 0.000 0.293 539 T C -0.515 174.209 174.700 0.041 0.000 0.913 539 T CA -0.051 62.144 62.100 0.159 0.000 1.103 539 T CB -0.103 68.807 68.868 0.070 0.000 0.880 539 T HN -0.099 nan 8.240 nan 0.000 0.526 540 F N 2.973 122.993 119.950 0.116 0.000 2.508 540 F HA 0.620 5.147 4.527 -0.000 0.000 0.325 540 F C 0.245 176.155 175.800 0.185 0.000 1.090 540 F CA -1.307 56.769 58.000 0.127 0.000 0.945 540 F CB 1.324 40.380 39.000 0.092 0.000 1.156 540 F HN 0.331 nan 8.300 nan 0.000 0.463 541 I N 2.460 123.247 120.570 0.362 0.000 2.465 541 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 541 I C -0.667 175.704 176.117 0.424 0.000 1.014 541 I CA -0.812 60.694 61.300 0.343 0.000 1.093 541 I CB 1.996 40.155 38.000 0.265 0.000 1.267 541 I HN 0.609 nan 8.210 nan 0.000 0.431 542 E N 5.476 125.874 120.200 0.330 0.000 2.242 542 E HA 0.217 4.567 4.350 -0.000 0.000 0.275 542 E C 0.736 177.490 176.600 0.257 0.000 1.002 542 E CA -0.769 55.847 56.400 0.360 0.000 0.841 542 E CB 2.025 31.867 29.700 0.238 0.000 1.109 542 E HN 0.453 nan 8.360 nan 0.000 0.394 543 L N 2.995 124.428 121.223 0.351 0.000 2.107 543 L HA -0.415 3.925 4.340 -0.000 0.000 0.240 543 L C 1.986 178.844 176.870 -0.019 0.000 1.115 543 L CA 3.099 57.987 54.840 0.080 0.000 0.840 543 L CB -0.967 41.237 42.059 0.241 0.000 0.935 543 L HN 0.993 nan 8.230 nan 0.000 0.449 544 D N -1.458 118.978 120.400 0.060 0.000 2.200 544 D HA -0.318 4.321 4.640 -0.000 0.000 0.192 544 D C 1.888 178.223 176.300 0.057 0.000 1.008 544 D CA 2.463 56.495 54.000 0.055 0.000 0.872 544 D CB -0.603 40.242 40.800 0.074 0.000 0.923 544 D HN 0.765 nan 8.370 nan 0.000 0.447 545 Q N -0.243 119.597 119.800 0.066 0.000 2.084 545 Q HA 0.033 4.373 4.340 -0.000 0.000 0.194 545 Q C 2.672 178.691 176.000 0.032 0.000 0.969 545 Q CA 0.544 56.413 55.803 0.111 0.000 0.829 545 Q CB 0.082 28.894 28.738 0.124 0.000 0.904 545 Q HN 0.131 nan 8.270 nan 0.000 0.464 546 V N 1.954 121.811 119.914 -0.094 0.000 2.280 546 V HA -0.379 3.741 4.120 -0.000 0.000 0.258 546 V C 2.292 178.185 176.094 -0.334 0.000 1.081 546 V CA 1.938 64.052 62.300 -0.310 0.000 1.070 546 V CB -0.645 30.712 31.823 -0.777 0.000 0.666 546 V HN 0.381 nan 8.190 nan 0.000 0.450 547 L N -0.439 120.615 121.223 -0.282 0.000 2.012 547 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 547 L C 2.489 179.266 176.870 -0.156 0.000 1.073 547 L CA 1.940 56.632 54.840 -0.248 0.000 0.748 547 L CB -0.838 41.137 42.059 -0.140 0.000 0.891 547 L HN 0.417 nan 8.230 nan 0.000 0.431 548 N N -0.026 118.674 118.700 0.000 0.000 2.058 548 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 548 N C 1.933 177.467 175.510 0.041 0.000 1.037 548 N CA 1.471 54.577 53.050 0.094 0.000 0.848 548 N CB -0.269 38.356 38.487 0.230 0.000 1.021 548 N HN 0.293 nan 8.380 nan 0.000 0.422 549 M N 0.762 120.385 119.600 0.038 0.000 2.089 549 M HA -0.204 4.276 4.480 -0.000 0.000 0.257 549 M C 2.139 178.369 176.300 -0.117 0.000 1.071 549 M CA 1.448 56.737 55.300 -0.019 0.000 1.096 549 M CB -0.535 32.083 32.600 0.031 0.000 1.330 549 M HN 0.118 nan 8.290 nan 0.000 0.403 550 L N -1.426 119.599 121.223 -0.329 0.000 1.990 550 L HA -0.295 4.045 4.340 -0.000 0.000 0.213 550 L C 2.599 179.238 176.870 -0.386 0.000 1.072 550 L CA 1.675 56.096 54.840 -0.698 0.000 0.755 550 L CB -1.137 40.064 42.059 -1.429 0.000 0.889 550 L HN 0.254 nan 8.230 nan 0.000 0.432 551 Y N -0.406 119.683 120.300 -0.352 0.000 2.181 551 Y HA -0.301 4.249 4.550 -0.000 0.000 0.284 551 Y C 2.170 178.044 175.900 -0.043 0.000 1.179 551 Y CA 1.217 59.268 58.100 -0.081 0.000 1.179 551 Y CB -0.648 37.770 38.460 -0.071 0.000 0.973 551 Y HN 0.113 nan 8.280 nan 0.000 0.519 552 W N -0.245 120.890 121.300 -0.274 0.000 2.358 552 W HA -0.049 4.611 4.660 -0.000 0.000 0.303 552 W C 0.790 177.184 176.519 -0.209 0.000 1.208 552 W CA 1.516 58.666 57.345 -0.324 0.000 1.274 552 W CB -0.869 28.390 29.460 -0.335 0.000 1.138 552 W HN -0.371 nan 8.180 nan 0.000 0.515 553 V N 4.617 124.586 119.914 0.092 0.000 2.409 553 V HA -0.073 4.047 4.120 -0.000 0.000 0.270 553 V C -0.807 175.329 176.094 0.070 0.000 1.019 553 V CA -0.563 61.784 62.300 0.078 0.000 1.066 553 V CB 0.040 31.909 31.823 0.076 0.000 1.021 553 V HN -0.008 nan 8.190 nan 0.000 0.476 554 P HA -0.136 nan 4.420 nan 0.000 0.221 554 P C 0.502 177.826 177.300 0.039 0.000 1.145 554 P CA 1.155 64.236 63.100 -0.033 0.000 0.795 554 P CB 0.403 32.062 31.700 -0.067 0.000 0.775 555 D N -1.575 118.873 120.400 0.080 0.000 2.491 555 D HA 0.027 4.666 4.640 -0.000 0.000 0.228 555 D C 0.074 176.460 176.300 0.142 0.000 1.183 555 D CA -0.380 53.668 54.000 0.079 0.000 0.827 555 D CB -0.340 40.493 40.800 0.055 0.000 0.989 555 D HN 0.196 nan 8.370 nan 0.000 0.494 556 W N 3.756 125.056 121.300 -0.000 0.000 2.253 556 W HA 0.034 4.694 4.660 -0.000 0.000 0.322 556 W C 1.043 177.574 176.519 0.019 0.000 1.342 556 W CA -0.963 56.390 57.345 0.015 0.000 1.218 556 W CB 0.671 30.151 29.460 0.032 0.000 1.205 556 W HN -0.045 nan 8.180 nan 0.000 0.551 557 D N 3.724 123.901 120.400 -0.373 0.000 2.352 557 D HA 0.019 4.659 4.640 -0.000 0.000 0.232 557 D C 1.306 177.114 176.300 -0.820 0.000 1.055 557 D CA 0.589 54.320 54.000 -0.447 0.000 0.891 557 D CB -0.633 40.053 40.800 -0.189 0.000 0.897 557 D HN 0.813 nan 8.370 nan 0.000 0.529 558 G N 0.048 107.678 108.800 -1.949 0.000 2.314 558 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.292 558 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.292 558 G C -0.052 174.380 174.900 -0.780 0.000 1.059 558 G CA 0.187 44.110 45.100 -1.962 0.000 0.982 558 G HN 0.387 nan 8.290 nan 0.000 0.505 559 V N 2.277 122.012 119.914 -0.298 0.000 2.383 559 V HA 0.257 4.377 4.120 -0.000 0.000 0.264 559 V C 0.934 177.307 176.094 0.466 0.000 1.001 559 V CA -0.815 61.573 62.300 0.146 0.000 0.828 559 V CB 0.772 32.637 31.823 0.069 0.000 1.069 559 V HN 0.514 nan 8.190 nan 0.000 0.451 560 I N 4.533 125.410 120.570 0.513 0.000 3.138 560 I HA 0.047 4.217 4.170 -0.000 0.000 0.286 560 I C -1.248 175.043 176.117 0.290 0.000 1.194 560 I CA -0.813 60.696 61.300 0.349 0.000 1.392 560 I CB -0.589 37.559 38.000 0.247 0.000 1.476 560 I HN 0.342 nan 8.210 nan 0.000 0.579 561 P HA -0.014 nan 4.420 nan 0.000 0.266 561 P C -0.160 177.388 177.300 0.413 0.000 1.193 561 P CA -0.010 63.261 63.100 0.285 0.000 0.770 561 P CB 0.334 32.178 31.700 0.240 0.000 0.836 562 T N 3.387 118.107 114.554 0.277 0.000 2.799 562 T HA 0.219 4.569 4.350 -0.000 0.000 0.296 562 T C -2.106 172.648 174.700 0.091 0.000 0.947 562 T CA -1.096 61.123 62.100 0.199 0.000 1.141 562 T CB -0.770 68.155 68.868 0.096 0.000 0.891 562 T HN 0.346 nan 8.240 nan 0.000 0.533 563 P HA 0.067 nan 4.420 nan 0.000 0.264 563 P C 0.624 177.676 177.300 -0.413 0.000 1.179 563 P CA -0.073 62.489 63.100 -0.898 0.000 0.763 563 P CB 0.395 31.375 31.700 -1.199 0.000 0.806 564 A N 4.177 126.786 122.820 -0.351 0.000 1.855 564 A HA -0.046 4.273 4.320 -0.000 0.000 0.215 564 A C 1.035 178.548 177.584 -0.118 0.000 1.191 564 A CA 1.163 53.118 52.037 -0.136 0.000 0.613 564 A CB -0.687 18.273 19.000 -0.067 0.000 0.829 564 A HN 0.535 nan 8.150 nan 0.000 0.442 565 I N -0.056 120.432 120.570 -0.136 0.000 2.385 565 I HA 0.281 4.451 4.170 -0.000 0.000 0.294 565 I C 0.361 176.363 176.117 -0.192 0.000 0.988 565 I CA -0.049 61.192 61.300 -0.098 0.000 1.265 565 I CB 1.579 39.574 38.000 -0.008 0.000 1.388 565 I HN 0.287 nan 8.210 nan 0.000 0.480 566 I N 4.208 124.700 120.570 -0.130 0.000 4.607 566 I HA -0.016 4.154 4.170 -0.000 0.000 0.324 566 I C 1.734 177.805 176.117 -0.076 0.000 1.279 566 I CA -0.170 61.057 61.300 -0.122 0.000 1.286 566 I CB -0.073 37.870 38.000 -0.094 0.000 1.265 566 I HN 0.542 nan 8.210 nan 0.000 0.446 567 K N 3.367 123.730 120.400 -0.062 0.000 2.436 567 K HA -0.174 4.146 4.320 -0.000 0.000 0.228 567 K C -0.788 175.787 176.600 -0.041 0.000 0.733 567 K CA 1.683 57.943 56.287 -0.046 0.000 0.930 567 K CB -2.441 30.032 32.500 -0.046 0.000 0.423 567 K HN 0.123 nan 8.250 nan 0.000 0.939 568 P HA -0.065 nan 4.420 nan 0.000 0.216 568 P C -0.157 177.128 177.300 -0.025 0.000 1.156 568 P CA 1.245 64.327 63.100 -0.030 0.000 0.855 568 P CB 0.250 31.932 31.700 -0.031 0.000 0.786 569 K N 1.263 121.643 120.400 -0.034 0.000 2.358 569 K HA 0.347 4.667 4.320 -0.000 0.000 0.260 569 K C -2.596 173.975 176.600 -0.048 0.000 0.956 569 K CA -2.697 53.579 56.287 -0.018 0.000 0.834 569 K CB 2.053 34.551 32.500 -0.003 0.000 1.102 569 K HN -0.076 nan 8.250 nan 0.000 0.431 570 P HA 0.078 nan 4.420 nan 0.000 0.271 570 P C -1.091 176.067 177.300 -0.236 0.000 1.233 570 P CA -0.279 62.692 63.100 -0.214 0.000 0.764 570 P CB 0.746 32.329 31.700 -0.196 0.000 0.825 571 L N 4.329 125.377 121.223 -0.292 0.000 2.301 571 L HA 0.625 4.965 4.340 -0.000 0.000 0.264 571 L C -0.182 176.580 176.870 -0.180 0.000 1.016 571 L CA -0.479 54.355 54.840 -0.010 0.000 0.821 571 L CB 1.622 43.819 42.059 0.230 0.000 1.346 571 L HN 0.419 nan 8.230 nan 0.000 0.429 572 W N 0.239 121.634 121.300 0.158 0.000 2.844 572 W HA 0.540 5.199 4.660 -0.000 0.000 0.340 572 W C -0.461 175.999 176.519 -0.099 0.000 1.093 572 W CA -0.748 56.619 57.345 0.036 0.000 1.212 572 W CB 2.297 31.765 29.460 0.013 0.000 1.422 572 W HN 0.483 nan 8.180 nan 0.000 0.515 573 S N 0.048 115.718 115.700 -0.050 0.000 2.585 573 S HA 0.423 4.893 4.470 -0.000 0.000 0.277 573 S C 0.984 175.478 174.600 -0.177 0.000 1.241 573 S CA -0.075 57.920 58.200 -0.341 0.000 1.041 573 S CB 1.881 64.835 63.200 -0.411 0.000 0.987 573 S HN 0.652 nan 8.310 nan 0.000 0.512 574 G N 2.221 110.875 108.800 -0.243 0.000 2.586 574 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 574 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 574 G C 1.235 175.997 174.900 -0.231 0.000 1.216 574 G CA 0.994 45.925 45.100 -0.282 0.000 0.786 574 G HN 0.797 nan 8.290 nan 0.000 0.583 575 K N -0.004 120.269 120.400 -0.212 0.000 2.097 575 K HA -0.287 4.033 4.320 -0.000 0.000 0.214 575 K C 2.590 179.121 176.600 -0.114 0.000 1.052 575 K CA 1.793 57.984 56.287 -0.160 0.000 0.932 575 K CB -0.359 32.060 32.500 -0.135 0.000 0.716 575 K HN 0.404 nan 8.250 nan 0.000 0.455 576 Q N 0.367 120.118 119.800 -0.083 0.000 2.096 576 Q HA -0.212 4.128 4.340 -0.000 0.000 0.208 576 Q C 2.308 178.302 176.000 -0.011 0.000 0.993 576 Q CA 2.170 57.968 55.803 -0.008 0.000 0.862 576 Q CB -0.214 28.576 28.738 0.087 0.000 0.915 576 Q HN 0.600 nan 8.270 nan 0.000 0.416 577 I N -2.700 117.836 120.570 -0.056 0.000 2.731 577 I HA -0.058 4.112 4.170 -0.000 0.000 0.260 577 I C 2.147 178.199 176.117 -0.109 0.000 1.138 577 I CA 0.353 61.598 61.300 -0.091 0.000 1.461 577 I CB -0.324 37.589 38.000 -0.144 0.000 1.128 577 I HN 0.076 nan 8.210 nan 0.000 0.438 578 L N 1.660 122.797 121.223 -0.143 0.000 2.189 578 L HA -0.163 4.177 4.340 -0.000 0.000 0.214 578 L C 2.159 178.970 176.870 -0.098 0.000 1.097 578 L CA 1.871 56.626 54.840 -0.142 0.000 0.764 578 L CB -0.645 41.305 42.059 -0.180 0.000 0.900 578 L HN 0.278 nan 8.230 nan 0.000 0.436 579 S N -1.441 114.211 115.700 -0.081 0.000 2.515 579 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 579 S C 1.807 176.393 174.600 -0.023 0.000 0.987 579 S CA 0.917 59.085 58.200 -0.053 0.000 0.936 579 S CB -0.242 62.932 63.200 -0.043 0.000 0.766 579 S HN 0.387 nan 8.310 nan 0.000 0.528 580 V N 1.584 121.485 119.914 -0.021 0.000 2.667 580 V HA -0.088 4.032 4.120 -0.000 0.000 0.252 580 V C 2.514 178.625 176.094 0.027 0.000 1.065 580 V CA 1.476 63.787 62.300 0.019 0.000 1.083 580 V CB -1.033 30.782 31.823 -0.014 0.000 0.692 580 V HN 0.545 nan 8.190 nan 0.000 0.468 581 A N 0.003 122.819 122.820 -0.008 0.000 1.930 581 A HA 0.114 4.434 4.320 -0.000 0.000 0.215 581 A C 1.239 178.816 177.584 -0.010 0.000 1.176 581 A CA 0.485 52.520 52.037 -0.004 0.000 0.632 581 A CB -0.345 18.638 19.000 -0.028 0.000 0.819 581 A HN 0.495 nan 8.150 nan 0.000 0.445 582 I N 2.900 123.454 120.570 -0.027 0.000 2.494 582 I HA 0.106 4.276 4.170 -0.000 0.000 0.289 582 I C -2.052 174.061 176.117 -0.008 0.000 1.106 582 I CA -1.608 59.673 61.300 -0.031 0.000 1.369 582 I CB 0.524 38.495 38.000 -0.049 0.000 1.410 582 I HN 0.195 nan 8.210 nan 0.000 0.523 583 P HA 0.034 nan 4.420 nan 0.000 0.271 583 P C -0.796 176.511 177.300 0.011 0.000 1.218 583 P CA -0.367 62.740 63.100 0.012 0.000 0.780 583 P CB 0.472 32.181 31.700 0.014 0.000 0.901 584 N N 1.062 119.772 118.700 0.017 0.000 2.345 584 N HA 0.065 4.805 4.740 -0.000 0.000 0.243 584 N C 1.653 177.178 175.510 0.023 0.000 1.246 584 N CA 1.351 54.411 53.050 0.017 0.000 0.863 584 N CB -0.291 38.206 38.487 0.017 0.000 1.096 584 N HN 0.830 nan 8.380 nan 0.000 0.446 585 G N 0.073 108.891 108.800 0.030 0.000 2.358 585 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.224 585 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.224 585 G C 0.342 175.294 174.900 0.087 0.000 1.073 585 G CA -0.176 44.958 45.100 0.058 0.000 0.635 585 G HN 0.505 nan 8.290 nan 0.000 0.509 586 I N 1.700 122.302 120.570 0.052 0.000 3.205 586 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 586 I C 0.793 176.963 176.117 0.087 0.000 1.266 586 I CA 0.789 62.123 61.300 0.057 0.000 1.378 586 I CB 0.031 38.037 38.000 0.009 0.000 1.347 586 I HN 0.369 nan 8.210 nan 0.000 0.603 587 H N 3.035 122.106 119.070 0.003 0.000 3.079 587 H HA 0.594 5.150 4.556 -0.000 0.000 0.356 587 H C -1.742 173.584 175.328 -0.003 0.000 1.221 587 H CA -0.643 55.409 56.048 0.008 0.000 1.185 587 H CB 2.298 32.076 29.762 0.026 0.000 1.882 587 H HN 0.380 nan 8.280 nan 0.000 0.543 588 L N 3.031 124.327 121.223 0.121 0.000 2.795 588 L HA 0.229 4.569 4.340 -0.000 0.000 0.260 588 L C -1.440 175.467 176.870 0.062 0.000 0.935 588 L CA -0.023 54.861 54.840 0.074 0.000 0.985 588 L CB 1.817 43.870 42.059 -0.010 0.000 1.433 588 L HN 0.598 nan 8.230 nan 0.000 0.447 589 Q N 3.745 123.616 119.800 0.118 0.000 2.331 589 Q HA 0.524 4.864 4.340 -0.000 0.000 0.267 589 Q C -0.153 175.958 176.000 0.185 0.000 1.006 589 Q CA -0.478 55.431 55.803 0.178 0.000 0.818 589 Q CB 2.967 31.852 28.738 0.245 0.000 1.276 589 Q HN 0.703 nan 8.270 nan 0.000 0.450 590 R N 2.119 122.746 120.500 0.212 0.000 1.776 590 R HA 0.288 4.627 4.340 -0.000 0.000 0.146 590 R C -0.803 175.751 176.300 0.422 0.000 2.057 590 R CA 0.206 56.423 56.100 0.194 0.000 1.641 590 R CB 0.612 30.927 30.300 0.026 0.000 1.256 590 R HN 0.604 nan 8.270 nan 0.000 0.478 591 F N 1.589 121.575 119.950 0.060 0.000 2.228 591 F HA -0.215 4.312 4.527 -0.000 0.000 0.484 591 F C 0.144 175.972 175.800 0.047 0.000 1.239 591 F CA 0.294 58.342 58.000 0.079 0.000 1.558 591 F CB -0.995 38.047 39.000 0.071 0.000 2.443 591 F HN 0.437 nan 8.300 nan 0.000 0.741 592 D N 1.789 122.271 120.400 0.136 0.000 1.992 592 D HA 0.021 4.661 4.640 -0.000 0.000 0.280 592 D C 1.496 177.853 176.300 0.094 0.000 1.060 592 D CA 1.024 55.078 54.000 0.090 0.000 0.877 592 D CB 0.182 41.009 40.800 0.045 0.000 1.010 592 D HN 0.659 nan 8.370 nan 0.000 0.385 593 E N 0.069 120.307 120.200 0.063 0.000 2.205 593 E HA 0.204 4.554 4.350 -0.000 0.000 0.219 593 E C 1.010 177.646 176.600 0.060 0.000 0.948 593 E CA -0.162 56.272 56.400 0.055 0.000 0.993 593 E CB -0.181 29.537 29.700 0.030 0.000 1.441 593 E HN 0.158 nan 8.360 nan 0.000 0.511 594 G N 1.885 110.705 108.800 0.034 0.000 2.916 594 G HA2 0.166 4.126 3.960 -0.000 0.000 0.280 594 G HA3 0.166 4.126 3.960 -0.000 0.000 0.280 594 G C -0.670 174.231 174.900 0.002 0.000 0.758 594 G CA 0.067 45.180 45.100 0.022 0.000 1.993 594 G HN -0.023 nan 8.290 nan 0.000 0.564 595 T N 0.734 115.299 114.554 0.018 0.000 2.841 595 T HA 0.606 4.956 4.350 -0.000 0.000 0.283 595 T C 0.363 175.017 174.700 -0.077 0.000 1.000 595 T CA -0.477 61.566 62.100 -0.095 0.000 0.977 595 T CB 1.766 70.522 68.868 -0.187 0.000 0.979 595 T HN 0.406 nan 8.240 nan 0.000 0.446 596 T N 0.272 114.705 114.554 -0.202 0.000 4.314 596 T HA 0.283 4.633 4.350 -0.000 0.000 0.234 596 T C 0.385 174.977 174.700 -0.179 0.000 0.954 596 T CA -0.713 61.337 62.100 -0.083 0.000 1.329 596 T CB -0.876 67.970 68.868 -0.037 0.000 0.883 596 T HN 0.452 nan 8.240 nan 0.000 0.577 597 L N -0.157 120.880 121.223 -0.310 0.000 4.111 597 L HA -0.188 4.152 4.340 -0.000 0.000 0.428 597 L C 0.875 177.461 176.870 -0.473 0.000 1.149 597 L CA 1.210 55.852 54.840 -0.329 0.000 0.981 597 L CB -1.488 40.554 42.059 -0.028 0.000 1.914 597 L HN 0.715 nan 8.230 nan 0.000 1.016 598 L N -1.197 119.691 121.223 -0.559 0.000 4.228 598 L HA 0.105 4.445 4.340 -0.000 0.000 0.415 598 L C 0.797 177.432 176.870 -0.391 0.000 1.154 598 L CA 0.516 55.103 54.840 -0.422 0.000 1.451 598 L CB 0.473 42.401 42.059 -0.218 0.000 1.562 598 L HN 0.321 nan 8.230 nan 0.000 0.617 599 S N 1.138 116.549 115.700 -0.481 0.000 4.212 599 S HA -0.109 4.361 4.470 -0.000 0.000 0.377 599 S C -1.069 173.435 174.600 -0.160 0.000 0.564 599 S CA -0.078 57.958 58.200 -0.273 0.000 1.469 599 S CB -0.729 62.356 63.200 -0.192 0.000 1.665 599 S HN 0.380 nan 8.310 nan 0.000 0.397 600 P HA -0.176 nan 4.420 nan 0.000 0.214 600 P C 0.982 178.259 177.300 -0.038 0.000 1.163 600 P CA 1.396 64.456 63.100 -0.067 0.000 0.889 600 P CB 0.022 31.693 31.700 -0.049 0.000 0.790 601 K N -0.644 119.740 120.400 -0.028 0.000 2.616 601 K HA -0.085 4.234 4.320 -0.000 0.000 0.192 601 K C 0.150 176.751 176.600 0.001 0.000 1.031 601 K CA 0.448 56.729 56.287 -0.010 0.000 1.004 601 K CB -0.806 31.690 32.500 -0.006 0.000 0.810 601 K HN 0.046 nan 8.250 nan 0.000 0.497 602 D N 0.884 121.285 120.400 0.000 0.000 2.697 602 D HA -0.161 4.479 4.640 -0.000 0.000 0.238 602 D C -0.411 175.927 176.300 0.062 0.000 1.152 602 D CA 0.436 54.463 54.000 0.044 0.000 0.666 602 D CB -0.996 39.824 40.800 0.034 0.000 1.037 602 D HN 0.210 nan 8.370 nan 0.000 0.423 603 N N -0.277 118.459 118.700 0.060 0.000 2.562 603 N HA 0.618 5.358 4.740 -0.000 0.000 0.299 603 N C 1.558 177.113 175.510 0.076 0.000 1.344 603 N CA 0.293 53.369 53.050 0.045 0.000 0.914 603 N CB -0.611 37.888 38.487 0.019 0.000 1.101 603 N HN 0.424 nan 8.380 nan 0.000 0.527 604 G N 0.621 109.435 108.800 0.024 0.000 2.602 604 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.317 604 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.317 604 G C -0.163 174.659 174.900 -0.131 0.000 1.327 604 G CA 1.315 46.400 45.100 -0.024 0.000 0.971 604 G HN 0.776 nan 8.290 nan 0.000 0.540 605 M N -2.102 117.278 119.600 -0.365 0.000 2.483 605 M HA 0.577 5.057 4.480 -0.000 0.000 0.266 605 M C -2.316 173.595 176.300 -0.648 0.000 0.936 605 M CA -0.537 54.433 55.300 -0.550 0.000 0.843 605 M CB 1.076 33.526 32.600 -0.251 0.000 1.911 605 M HN 1.947 nan 8.290 nan 0.000 0.563 606 L N 6.343 127.031 121.223 -0.893 0.000 2.482 606 L HA 0.845 5.185 4.340 -0.000 0.000 0.269 606 L C -2.154 174.514 176.870 -0.337 0.000 0.967 606 L CA -0.225 54.304 54.840 -0.519 0.000 0.851 606 L CB 1.721 43.495 42.059 -0.475 0.000 1.242 606 L HN 0.808 nan 8.230 nan 0.000 0.404 607 I N 5.953 126.393 120.570 -0.216 0.000 2.474 607 I HA 0.521 4.691 4.170 -0.000 0.000 0.294 607 I C -0.658 175.293 176.117 -0.277 0.000 1.005 607 I CA -0.594 60.590 61.300 -0.193 0.000 1.113 607 I CB 1.994 39.906 38.000 -0.147 0.000 1.289 607 I HN 0.518 nan 8.210 nan 0.000 0.436 608 I N 4.659 125.072 120.570 -0.261 0.000 2.533 608 I HA 0.207 4.376 4.170 -0.000 0.000 0.290 608 I C 0.004 176.005 176.117 -0.193 0.000 1.056 608 I CA -0.318 60.752 61.300 -0.385 0.000 1.057 608 I CB 1.823 39.665 38.000 -0.263 0.000 1.240 608 I HN 0.668 nan 8.210 nan 0.000 0.423 609 D N 4.681 124.985 120.400 -0.161 0.000 2.931 609 D HA -0.213 4.427 4.640 -0.000 0.000 0.228 609 D C 0.863 177.144 176.300 -0.031 0.000 1.180 609 D CA 1.834 55.813 54.000 -0.035 0.000 0.784 609 D CB -0.625 40.176 40.800 0.001 0.000 1.093 609 D HN 1.176 nan 8.370 nan 0.000 0.421 610 G N -0.782 107.982 108.800 -0.061 0.000 2.204 610 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 610 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 610 G C -0.395 174.479 174.900 -0.043 0.000 1.062 610 G CA 0.263 45.337 45.100 -0.044 0.000 0.798 610 G HN 0.431 nan 8.290 nan 0.000 0.496 611 Q N -0.320 119.444 119.800 -0.060 0.000 2.274 611 Q HA 0.415 4.755 4.340 -0.000 0.000 0.268 611 Q C 0.469 176.426 176.000 -0.072 0.000 1.015 611 Q CA -0.734 55.041 55.803 -0.047 0.000 0.775 611 Q CB 1.699 30.424 28.738 -0.021 0.000 1.256 611 Q HN 0.465 nan 8.270 nan 0.000 0.442 612 I N 3.745 124.268 120.570 -0.079 0.000 2.664 612 I HA -0.094 4.076 4.170 -0.000 0.000 0.284 612 I C 1.372 177.445 176.117 -0.073 0.000 1.154 612 I CA 0.472 61.709 61.300 -0.105 0.000 1.402 612 I CB 0.354 38.286 38.000 -0.113 0.000 1.395 612 I HN 0.622 nan 8.210 nan 0.000 0.545 613 I N 7.330 127.852 120.570 -0.081 0.000 3.035 613 I HA 0.051 4.221 4.170 -0.000 0.000 0.271 613 I C -0.001 176.213 176.117 0.162 0.000 1.190 613 I CA 0.488 61.806 61.300 0.030 0.000 1.472 613 I CB 0.218 38.262 38.000 0.073 0.000 1.116 613 I HN 0.598 nan 8.210 nan 0.000 0.443 614 F N -0.463 119.444 119.950 -0.072 0.000 2.780 614 F HA 0.562 5.089 4.527 -0.000 0.000 0.320 614 F C -0.774 174.972 175.800 -0.089 0.000 1.118 614 F CA -0.729 57.222 58.000 -0.081 0.000 0.964 614 F CB -0.024 38.927 39.000 -0.082 0.000 1.249 614 F HN -0.055 nan 8.300 nan 0.000 0.455 615 G N 1.735 110.610 108.800 0.126 0.000 3.069 615 G HA2 0.390 4.350 3.960 -0.000 0.000 0.686 615 G HA3 0.390 4.350 3.960 -0.000 0.000 0.686 615 G C -1.219 173.641 174.900 -0.066 0.000 1.161 615 G CA -0.640 44.462 45.100 0.003 0.000 0.804 615 G HN 1.604 nan 8.290 nan 0.000 0.608 616 V N 1.261 121.151 119.914 -0.040 0.000 2.763 616 V HA 0.325 4.445 4.120 -0.000 0.000 0.306 616 V C 1.240 177.282 176.094 -0.086 0.000 1.059 616 V CA -0.369 61.893 62.300 -0.063 0.000 1.138 616 V CB 1.377 33.173 31.823 -0.045 0.000 0.940 616 V HN 0.942 nan 8.190 nan 0.000 0.489 617 V N 5.029 124.882 119.914 -0.102 0.000 2.333 617 V HA 0.566 4.686 4.120 -0.000 0.000 0.274 617 V C -0.039 176.001 176.094 -0.090 0.000 1.028 617 V CA -0.224 62.012 62.300 -0.105 0.000 0.851 617 V CB 0.743 32.491 31.823 -0.125 0.000 1.000 617 V HN 1.194 nan 8.190 nan 0.000 0.456 618 E N 2.676 122.833 120.200 -0.071 0.000 2.460 618 E HA 0.438 4.788 4.350 -0.000 0.000 0.277 618 E C 0.666 177.241 176.600 -0.042 0.000 1.010 618 E CA -1.016 55.350 56.400 -0.057 0.000 0.838 618 E CB 0.821 30.493 29.700 -0.047 0.000 1.448 618 E HN 0.102 nan 8.360 nan 0.000 0.462 619 K N 0.255 120.637 120.400 -0.030 0.000 2.195 619 K HA -0.391 3.929 4.320 -0.000 0.000 0.216 619 K C 1.190 177.780 176.600 -0.016 0.000 1.039 619 K CA 2.701 58.978 56.287 -0.017 0.000 0.940 619 K CB -0.248 32.249 32.500 -0.006 0.000 0.778 619 K HN 0.487 nan 8.250 nan 0.000 0.475 620 K N -1.169 119.221 120.400 -0.017 0.000 2.365 620 K HA -0.032 4.288 4.320 -0.000 0.000 0.199 620 K C 1.686 178.275 176.600 -0.018 0.000 1.045 620 K CA 1.418 57.699 56.287 -0.011 0.000 0.962 620 K CB 0.237 32.732 32.500 -0.007 0.000 0.759 620 K HN 0.203 nan 8.250 nan 0.000 0.469 621 T N -0.550 113.983 114.554 -0.035 0.000 3.018 621 T HA 0.038 4.388 4.350 -0.000 0.000 0.246 621 T C 1.178 175.843 174.700 -0.058 0.000 1.026 621 T CA 0.260 62.331 62.100 -0.049 0.000 1.081 621 T CB 0.633 69.457 68.868 -0.073 0.000 0.970 621 T HN -0.019 nan 8.240 nan 0.000 0.475 622 V N 1.465 121.342 119.914 -0.062 0.000 3.166 622 V HA 0.580 4.700 4.120 -0.000 0.000 0.332 622 V C 0.542 176.600 176.094 -0.060 0.000 1.434 622 V CA -0.086 62.164 62.300 -0.083 0.000 1.121 622 V CB 0.002 31.763 31.823 -0.104 0.000 1.062 622 V HN 0.422 nan 8.190 nan 0.000 0.489 623 G N 0.062 108.845 108.800 -0.028 0.000 2.705 623 G HA2 0.405 4.365 3.960 -0.000 0.000 0.299 623 G HA3 0.405 4.365 3.960 -0.000 0.000 0.299 623 G C 0.306 175.210 174.900 0.008 0.000 1.315 623 G CA 0.188 45.288 45.100 0.000 0.000 1.045 623 G HN 0.544 nan 8.290 nan 0.000 0.517 624 S N -0.005 115.706 115.700 0.020 0.000 3.864 624 S HA 0.320 4.790 4.470 -0.000 0.000 0.202 624 S C 0.727 175.314 174.600 -0.021 0.000 1.402 624 S CA -0.109 58.094 58.200 0.006 0.000 1.072 624 S CB -0.926 62.278 63.200 0.006 0.000 1.383 624 S HN 0.846 nan 8.310 nan 0.000 0.458 625 S N 0.825 116.515 115.700 -0.017 0.000 2.713 625 S HA 0.414 4.884 4.470 -0.000 0.000 0.283 625 S C 0.908 175.487 174.600 -0.035 0.000 1.161 625 S CA -0.921 57.271 58.200 -0.014 0.000 0.999 625 S CB 0.757 63.959 63.200 0.004 0.000 1.039 625 S HN 0.351 nan 8.310 nan 0.000 0.548 626 N N 1.477 120.172 118.700 -0.008 0.000 2.009 626 N HA -0.080 4.660 4.740 -0.000 0.000 0.186 626 N C 1.630 177.251 175.510 0.185 0.000 1.105 626 N CA 1.690 54.751 53.050 0.018 0.000 0.907 626 N CB -1.177 37.352 38.487 0.071 0.000 1.046 626 N HN 0.911 nan 8.380 nan 0.000 0.433 627 G N 0.553 109.466 108.800 0.187 0.000 3.286 627 G HA2 0.134 4.094 3.960 -0.000 0.000 0.213 627 G HA3 0.134 4.094 3.960 -0.000 0.000 0.213 627 G C 0.634 175.612 174.900 0.130 0.000 1.274 627 G CA 0.349 45.559 45.100 0.184 0.000 1.218 627 G HN 0.495 nan 8.290 nan 0.000 0.504 628 G N -0.967 107.916 108.800 0.139 0.000 2.667 628 G HA2 0.241 4.201 3.960 -0.000 0.000 0.250 628 G HA3 0.241 4.201 3.960 -0.000 0.000 0.250 628 G C 1.100 176.036 174.900 0.060 0.000 1.212 628 G CA -0.622 44.522 45.100 0.073 0.000 0.874 628 G HN 0.222 nan 8.290 nan 0.000 0.561 629 L N 0.388 121.611 121.223 -0.001 0.000 1.989 629 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 629 L C 2.863 179.718 176.870 -0.024 0.000 1.071 629 L CA 1.337 56.158 54.840 -0.032 0.000 0.749 629 L CB -0.324 41.687 42.059 -0.081 0.000 0.890 629 L HN 0.614 nan 8.230 nan 0.000 0.431 630 I N -0.938 119.603 120.570 -0.047 0.000 2.069 630 I HA -0.420 3.750 4.170 -0.000 0.000 0.237 630 I C 2.557 178.725 176.117 0.085 0.000 1.053 630 I CA 1.654 62.932 61.300 -0.037 0.000 1.311 630 I CB -0.906 37.068 38.000 -0.043 0.000 1.030 630 I HN 0.416 nan 8.210 nan 0.000 0.398 631 H N 0.935 120.000 119.070 -0.008 0.000 2.407 631 H HA -0.186 4.370 4.556 -0.000 0.000 0.293 631 H C 1.912 177.245 175.328 0.008 0.000 1.122 631 H CA 2.118 58.170 56.048 0.006 0.000 1.232 631 H CB -0.448 29.319 29.762 0.009 0.000 1.361 631 H HN 0.142 nan 8.280 nan 0.000 0.498 632 V N -0.803 119.135 119.914 0.039 0.000 2.251 632 V HA -0.200 3.920 4.120 -0.000 0.000 0.237 632 V C 2.743 178.834 176.094 -0.004 0.000 1.040 632 V CA 1.355 63.635 62.300 -0.034 0.000 1.005 632 V CB -1.060 30.756 31.823 -0.011 0.000 0.645 632 V HN 0.295 nan 8.190 nan 0.000 0.458 633 V N 0.721 120.638 119.914 0.006 0.000 2.265 633 V HA -0.423 3.697 4.120 -0.000 0.000 0.259 633 V C 2.494 178.604 176.094 0.028 0.000 1.084 633 V CA 2.969 65.275 62.300 0.010 0.000 1.076 633 V CB -1.806 30.012 31.823 -0.008 0.000 0.680 633 V HN 0.708 nan 8.190 nan 0.000 0.452 634 T N -0.269 114.313 114.554 0.046 0.000 2.595 634 T HA -0.227 4.123 4.350 -0.000 0.000 0.264 634 T C 2.010 176.736 174.700 0.043 0.000 1.058 634 T CA 1.632 63.769 62.100 0.061 0.000 1.166 634 T CB -0.361 68.562 68.868 0.092 0.000 0.863 634 T HN 0.285 nan 8.240 nan 0.000 0.415 635 R N 0.690 121.205 120.500 0.025 0.000 2.193 635 R HA 0.034 4.374 4.340 -0.000 0.000 0.229 635 R C 2.235 178.542 176.300 0.012 0.000 1.110 635 R CA 1.047 57.153 56.100 0.010 0.000 0.988 635 R CB -0.247 30.022 30.300 -0.052 0.000 0.871 635 R HN 0.494 nan 8.270 nan 0.000 0.458 636 E N 0.135 120.342 120.200 0.011 0.000 2.075 636 E HA 0.014 4.364 4.350 -0.000 0.000 0.193 636 E C 1.620 178.239 176.600 0.032 0.000 0.950 636 E CA 0.624 57.036 56.400 0.020 0.000 0.859 636 E CB 0.167 29.880 29.700 0.022 0.000 0.846 636 E HN -0.174 nan 8.360 nan 0.000 0.467 637 K N -0.232 120.187 120.400 0.033 0.000 2.103 637 K HA 0.196 4.516 4.320 -0.000 0.000 0.204 637 K C 0.543 177.164 176.600 0.036 0.000 1.052 637 K CA 1.063 57.371 56.287 0.035 0.000 0.945 637 K CB 0.286 32.805 32.500 0.032 0.000 0.722 637 K HN 0.280 nan 8.250 nan 0.000 0.443 638 G N -0.041 108.783 108.800 0.039 0.000 2.345 638 G HA2 0.001 3.961 3.960 -0.000 0.000 0.310 638 G HA3 0.001 3.961 3.960 -0.000 0.000 0.310 638 G C -2.673 172.256 174.900 0.048 0.000 1.476 638 G CA -0.513 44.612 45.100 0.041 0.000 0.978 638 G HN -0.223 nan 8.290 nan 0.000 0.656 639 P HA -0.023 nan 4.420 nan 0.000 0.221 639 P C 1.196 178.527 177.300 0.053 0.000 1.155 639 P CA 0.974 64.103 63.100 0.048 0.000 0.812 639 P CB 0.386 32.105 31.700 0.032 0.000 0.801 640 Q N -0.042 119.784 119.800 0.043 0.000 2.083 640 Q HA -0.029 4.311 4.340 -0.000 0.000 0.198 640 Q C 2.342 178.375 176.000 0.055 0.000 0.969 640 Q CA 1.113 56.941 55.803 0.042 0.000 0.838 640 Q CB -0.851 27.904 28.738 0.029 0.000 0.900 640 Q HN 0.156 nan 8.270 nan 0.000 0.436 641 V N 0.334 120.279 119.914 0.051 0.000 2.427 641 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 641 V C 2.456 178.592 176.094 0.069 0.000 1.051 641 V CA 1.562 63.893 62.300 0.052 0.000 1.048 641 V CB -0.639 31.207 31.823 0.040 0.000 0.666 641 V HN 0.457 nan 8.190 nan 0.000 0.456 642 C N 0.383 119.736 119.300 0.087 0.000 2.446 642 C HA 0.099 4.559 4.460 -0.000 0.000 0.279 642 C C 2.989 178.131 174.990 0.254 0.000 1.366 642 C CA 0.554 59.644 59.018 0.121 0.000 1.763 642 C CB -1.117 26.702 27.740 0.131 0.000 1.929 642 C HN 0.559 nan 8.230 nan 0.000 0.509 643 A N -0.011 122.940 122.820 0.220 0.000 1.929 643 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 643 A C 2.281 180.009 177.584 0.241 0.000 1.176 643 A CA 1.651 53.835 52.037 0.246 0.000 0.628 643 A CB -0.634 18.423 19.000 0.095 0.000 0.816 643 A HN 0.703 nan 8.150 nan 0.000 0.444 644 K N -0.794 119.695 120.400 0.149 0.000 2.211 644 K HA -0.095 4.225 4.320 -0.000 0.000 0.203 644 K C 1.836 178.507 176.600 0.118 0.000 1.050 644 K CA 1.110 57.464 56.287 0.110 0.000 0.945 644 K CB -0.227 32.314 32.500 0.068 0.000 0.732 644 K HN 0.390 nan 8.250 nan 0.000 0.451 645 L N 0.516 121.805 121.223 0.109 0.000 2.017 645 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 645 L C 1.650 178.533 176.870 0.023 0.000 1.073 645 L CA 1.727 56.580 54.840 0.021 0.000 0.745 645 L CB -0.682 41.330 42.059 -0.078 0.000 0.894 645 L HN 0.078 nan 8.230 nan 0.000 0.432 646 F N 0.442 120.401 119.950 0.014 0.000 2.087 646 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 646 F C 2.478 178.292 175.800 0.023 0.000 1.100 646 F CA 1.819 59.829 58.000 0.016 0.000 1.226 646 F CB -1.533 37.478 39.000 0.019 0.000 0.983 646 F HN 0.245 nan 8.300 nan 0.000 0.479 647 G N 0.261 109.205 108.800 0.241 0.000 2.628 647 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.217 647 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.217 647 G C 1.611 176.580 174.900 0.114 0.000 1.240 647 G CA 1.322 46.511 45.100 0.148 0.000 0.792 647 G HN 0.288 nan 8.290 nan 0.000 0.593 648 N N 1.023 119.775 118.700 0.086 0.000 2.002 648 N HA -0.163 4.577 4.740 -0.000 0.000 0.199 648 N C 2.287 177.826 175.510 0.047 0.000 1.060 648 N CA 1.560 54.650 53.050 0.067 0.000 0.867 648 N CB -0.796 37.717 38.487 0.043 0.000 1.069 648 N HN 0.389 nan 8.380 nan 0.000 0.430 649 I N 1.813 122.388 120.570 0.008 0.000 2.130 649 I HA -0.424 3.745 4.170 -0.000 0.000 0.241 649 I C 2.608 178.725 176.117 -0.000 0.000 1.023 649 I CA 1.716 63.001 61.300 -0.026 0.000 1.293 649 I CB -0.512 37.446 38.000 -0.069 0.000 1.001 649 I HN 0.299 nan 8.210 nan 0.000 0.407 650 Q N 0.513 120.338 119.800 0.043 0.000 1.985 650 Q HA -0.279 4.061 4.340 -0.000 0.000 0.207 650 Q C 2.240 178.268 176.000 0.046 0.000 0.996 650 Q CA 2.011 57.850 55.803 0.059 0.000 0.851 650 Q CB -0.282 28.519 28.738 0.105 0.000 0.921 650 Q HN 0.498 nan 8.270 nan 0.000 0.418 651 K N 0.155 120.608 120.400 0.089 0.000 2.015 651 K HA -0.216 4.104 4.320 -0.000 0.000 0.216 651 K C 2.191 178.759 176.600 -0.054 0.000 1.052 651 K CA 1.944 58.294 56.287 0.105 0.000 0.937 651 K CB -0.601 32.102 32.500 0.338 0.000 0.719 651 K HN 0.027 nan 8.250 nan 0.000 0.446 652 V N 1.348 121.260 119.914 -0.002 0.000 2.215 652 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 652 V C 2.400 178.479 176.094 -0.026 0.000 1.047 652 V CA 2.061 64.339 62.300 -0.036 0.000 0.999 652 V CB -0.655 31.143 31.823 -0.041 0.000 0.635 652 V HN 0.137 nan 8.190 nan 0.000 0.450 653 V N 0.795 120.684 119.914 -0.042 0.000 2.218 653 V HA -0.385 3.735 4.120 -0.000 0.000 0.251 653 V C 2.336 178.458 176.094 0.047 0.000 1.057 653 V CA 2.605 64.892 62.300 -0.023 0.000 1.022 653 V CB -1.195 30.600 31.823 -0.046 0.000 0.645 653 V HN 0.620 nan 8.190 nan 0.000 0.451 654 N N -0.174 118.529 118.700 0.005 0.000 2.073 654 N HA -0.280 4.460 4.740 -0.000 0.000 0.199 654 N C 1.683 177.145 175.510 -0.081 0.000 1.023 654 N CA 2.369 55.411 53.050 -0.014 0.000 0.880 654 N CB -0.748 37.729 38.487 -0.016 0.000 1.052 654 N HN 0.606 nan 8.380 nan 0.000 0.449 655 F N 0.016 119.733 119.950 -0.388 0.000 2.216 655 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 655 F C 2.319 177.824 175.800 -0.491 0.000 1.085 655 F CA 1.163 58.800 58.000 -0.604 0.000 1.326 655 F CB -0.456 37.892 39.000 -1.086 0.000 1.027 655 F HN 0.172 nan 8.300 nan 0.000 0.497 656 W N 0.719 121.698 121.300 -0.536 0.000 2.413 656 W HA -0.128 4.532 4.660 -0.000 0.000 0.315 656 W C 2.144 178.424 176.519 -0.397 0.000 1.186 656 W CA 1.568 58.589 57.345 -0.540 0.000 1.326 656 W CB -0.762 28.538 29.460 -0.267 0.000 1.153 656 W HN 0.068 nan 8.180 nan 0.000 0.489 657 L N 1.311 122.599 121.223 0.107 0.000 2.349 657 L HA -0.146 4.194 4.340 -0.000 0.000 0.220 657 L C 2.093 178.847 176.870 -0.192 0.000 1.130 657 L CA 1.844 56.647 54.840 -0.061 0.000 0.791 657 L CB -1.298 40.846 42.059 0.142 0.000 0.918 657 L HN 0.274 nan 8.230 nan 0.000 0.444 658 L N -1.101 119.976 121.223 -0.243 0.000 2.083 658 L HA -0.189 4.150 4.340 -0.000 0.000 0.209 658 L C 2.224 179.076 176.870 -0.031 0.000 1.083 658 L CA 1.854 56.608 54.840 -0.144 0.000 0.752 658 L CB -0.621 41.330 42.059 -0.180 0.000 0.899 658 L HN 0.409 nan 8.230 nan 0.000 0.433 659 H N -2.051 116.755 119.070 -0.439 0.000 2.406 659 H HA 0.137 4.693 4.556 -0.000 0.000 0.304 659 H C 1.875 176.943 175.328 -0.433 0.000 1.042 659 H CA 0.941 56.740 56.048 -0.414 0.000 1.360 659 H CB -0.668 28.800 29.762 -0.489 0.000 1.448 659 H HN 0.291 nan 8.280 nan 0.000 0.553 660 N N 1.028 119.390 118.700 -0.564 0.000 2.651 660 N HA -0.053 4.687 4.740 -0.000 0.000 0.193 660 N C 0.466 175.799 175.510 -0.295 0.000 1.149 660 N CA 0.755 53.430 53.050 -0.625 0.000 0.933 660 N CB 0.002 37.665 38.487 -1.373 0.000 0.974 660 N HN 0.526 nan 8.380 nan 0.000 0.448 661 G N -0.528 108.165 108.800 -0.178 0.000 3.085 661 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.455 661 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.455 661 G C -0.630 174.340 174.900 0.115 0.000 1.592 661 G CA 0.184 45.261 45.100 -0.038 0.000 1.083 661 G HN 0.354 nan 8.290 nan 0.000 0.574 662 F N 0.107 120.022 119.950 -0.058 0.000 2.740 662 F HA 0.624 5.151 4.527 -0.000 0.000 0.312 662 F C -0.180 175.612 175.800 -0.014 0.000 1.121 662 F CA 0.408 58.392 58.000 -0.025 0.000 0.977 662 F CB 1.273 40.270 39.000 -0.004 0.000 1.265 662 F HN 1.632 nan 8.300 nan 0.000 0.443 663 S N 2.040 117.036 115.700 -1.174 0.000 2.671 663 S HA 0.865 5.335 4.470 -0.000 0.000 0.270 663 S C -1.855 172.316 174.600 -0.717 0.000 1.166 663 S CA -0.019 57.735 58.200 -0.744 0.000 0.868 663 S CB 1.577 64.580 63.200 -0.328 0.000 1.190 663 S HN 0.958 nan 8.310 nan 0.000 0.494 664 T N 0.339 114.681 114.554 -0.355 0.000 3.012 664 T HA 0.733 5.082 4.350 -0.000 0.000 0.330 664 T C -0.606 174.021 174.700 -0.122 0.000 1.321 664 T CA -0.114 61.855 62.100 -0.219 0.000 1.067 664 T CB 1.415 70.185 68.868 -0.163 0.000 1.235 664 T HN 1.339 nan 8.240 nan 0.000 0.479 665 G N 0.947 109.699 108.800 -0.082 0.000 2.703 665 G HA2 0.503 4.463 3.960 -0.000 0.000 0.294 665 G HA3 0.503 4.463 3.960 -0.000 0.000 0.294 665 G C 0.709 175.592 174.900 -0.029 0.000 1.451 665 G CA -0.671 44.399 45.100 -0.051 0.000 0.869 665 G HN 0.736 nan 8.290 nan 0.000 0.516 666 I N 0.343 120.902 120.570 -0.017 0.000 2.308 666 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 666 I C 2.459 178.577 176.117 0.001 0.000 1.002 666 I CA 2.344 63.642 61.300 -0.004 0.000 1.307 666 I CB -1.390 36.609 38.000 -0.001 0.000 0.997 666 I HN 0.665 nan 8.210 nan 0.000 0.431 667 G N -0.006 108.791 108.800 -0.005 0.000 2.479 667 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 667 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 667 G C 1.297 176.202 174.900 0.007 0.000 1.115 667 G CA 1.075 46.175 45.100 0.000 0.000 0.757 667 G HN 0.560 nan 8.290 nan 0.000 0.560 668 D N 0.003 120.406 120.400 0.004 0.000 2.317 668 D HA -0.055 4.584 4.640 -0.000 0.000 0.211 668 D C 2.500 178.817 176.300 0.028 0.000 0.966 668 D CA 1.432 55.441 54.000 0.016 0.000 0.876 668 D CB 0.062 40.867 40.800 0.009 0.000 0.927 668 D HN 0.509 nan 8.370 nan 0.000 0.519 669 T N -1.399 113.170 114.554 0.025 0.000 3.086 669 T HA 0.206 4.556 4.350 -0.000 0.000 0.250 669 T C 0.948 175.669 174.700 0.035 0.000 1.074 669 T CA -0.244 61.877 62.100 0.035 0.000 0.988 669 T CB -0.123 68.767 68.868 0.035 0.000 0.988 669 T HN 0.007 nan 8.240 nan 0.000 0.530 670 I N 1.325 121.913 120.570 0.029 0.000 2.382 670 I HA 0.770 4.940 4.170 -0.000 0.000 0.286 670 I C 0.116 176.251 176.117 0.029 0.000 1.002 670 I CA -1.493 59.823 61.300 0.027 0.000 1.135 670 I CB 1.499 39.511 38.000 0.021 0.000 1.288 670 I HN 0.043 nan 8.210 nan 0.000 0.448 671 A N 3.648 126.487 122.820 0.032 0.000 2.281 671 A HA 0.448 4.767 4.320 -0.000 0.000 0.329 671 A C -0.397 177.205 177.584 0.029 0.000 1.122 671 A CA -0.560 51.497 52.037 0.034 0.000 0.850 671 A CB 0.716 19.741 19.000 0.042 0.000 1.207 671 A HN 0.743 nan 8.150 nan 0.000 0.495 672 D N 0.444 120.861 120.400 0.028 0.000 3.046 672 D HA 0.064 4.704 4.640 -0.000 0.000 0.213 672 D C 1.652 177.966 176.300 0.023 0.000 1.074 672 D CA 1.601 55.615 54.000 0.024 0.000 0.785 672 D CB 0.505 41.320 40.800 0.024 0.000 1.160 672 D HN 0.616 nan 8.370 nan 0.000 0.524 673 G N 5.094 113.906 108.800 0.020 0.000 2.529 673 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.219 673 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.219 673 G C -0.625 174.287 174.900 0.020 0.000 1.177 673 G CA 0.871 45.982 45.100 0.018 0.000 0.773 673 G HN 0.575 nan 8.290 nan 0.000 0.573 674 P HA -0.078 nan 4.420 nan 0.000 0.216 674 P C 1.689 179.003 177.300 0.023 0.000 1.150 674 P CA 1.739 64.851 63.100 0.019 0.000 0.837 674 P CB -0.396 31.315 31.700 0.018 0.000 0.786 675 T N -0.433 114.136 114.554 0.026 0.000 2.929 675 T HA -0.089 4.261 4.350 -0.000 0.000 0.271 675 T C 1.920 176.640 174.700 0.032 0.000 1.085 675 T CA 1.048 63.166 62.100 0.031 0.000 1.125 675 T CB -0.406 68.483 68.868 0.034 0.000 0.874 675 T HN 0.007 nan 8.240 nan 0.000 0.494 676 M N 0.676 120.293 119.600 0.029 0.000 2.074 676 M HA 0.041 4.520 4.480 -0.000 0.000 0.258 676 M C 2.508 178.825 176.300 0.028 0.000 1.083 676 M CA 1.412 56.729 55.300 0.028 0.000 1.128 676 M CB -0.864 31.751 32.600 0.024 0.000 1.301 676 M HN 0.096 nan 8.290 nan 0.000 0.417 677 R N 0.452 120.967 120.500 0.024 0.000 2.119 677 R HA -0.240 4.100 4.340 -0.000 0.000 0.246 677 R C 1.996 178.311 176.300 0.025 0.000 1.146 677 R CA 2.232 58.346 56.100 0.023 0.000 0.962 677 R CB -0.391 29.920 30.300 0.019 0.000 0.863 677 R HN 0.466 nan 8.270 nan 0.000 0.442 678 E N 0.091 120.307 120.200 0.026 0.000 2.219 678 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 678 E C 1.792 178.412 176.600 0.032 0.000 0.998 678 E CA 1.410 57.826 56.400 0.027 0.000 0.818 678 E CB -0.030 29.686 29.700 0.028 0.000 0.741 678 E HN 0.472 nan 8.360 nan 0.000 0.477 679 I N -0.058 120.534 120.570 0.036 0.000 2.385 679 I HA -0.162 4.008 4.170 -0.000 0.000 0.244 679 I C 2.310 178.453 176.117 0.045 0.000 1.089 679 I CA 1.023 62.349 61.300 0.044 0.000 1.410 679 I CB -0.442 37.586 38.000 0.047 0.000 1.117 679 I HN 0.083 nan 8.210 nan 0.000 0.429 680 T N 1.308 115.885 114.554 0.039 0.000 2.714 680 T HA -0.260 4.089 4.350 -0.000 0.000 0.268 680 T C 1.561 176.283 174.700 0.038 0.000 1.036 680 T CA 2.117 64.241 62.100 0.041 0.000 1.148 680 T CB -0.470 68.417 68.868 0.033 0.000 0.856 680 T HN 0.617 nan 8.240 nan 0.000 0.462 681 E N 0.296 120.514 120.200 0.030 0.000 2.250 681 E HA -0.014 4.335 4.350 -0.000 0.000 0.192 681 E C 1.887 178.498 176.600 0.019 0.000 0.986 681 E CA 0.868 57.280 56.400 0.021 0.000 0.849 681 E CB -0.523 29.186 29.700 0.016 0.000 0.797 681 E HN 0.280 nan 8.360 nan 0.000 0.482 682 T N 1.396 115.967 114.554 0.029 0.000 2.962 682 T HA 0.013 4.363 4.350 -0.000 0.000 0.270 682 T C 1.783 176.503 174.700 0.033 0.000 1.088 682 T CA 0.812 62.930 62.100 0.030 0.000 1.127 682 T CB -0.090 68.804 68.868 0.043 0.000 0.883 682 T HN 0.187 nan 8.240 nan 0.000 0.493 683 I N 0.960 121.557 120.570 0.046 0.000 2.296 683 I HA 0.014 4.183 4.170 -0.000 0.000 0.242 683 I C 2.918 179.041 176.117 0.010 0.000 1.087 683 I CA 0.763 62.099 61.300 0.059 0.000 1.393 683 I CB -0.474 37.594 38.000 0.113 0.000 1.093 683 I HN 0.128 nan 8.210 nan 0.000 0.421 684 A N 1.476 124.305 122.820 0.015 0.000 1.978 684 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 684 A C 2.159 179.725 177.584 -0.029 0.000 1.170 684 A CA 2.046 54.081 52.037 -0.004 0.000 0.636 684 A CB -0.791 18.214 19.000 0.009 0.000 0.810 684 A HN 0.669 nan 8.150 nan 0.000 0.448 685 E N -0.253 119.930 120.200 -0.028 0.000 2.204 685 E HA 0.087 4.437 4.350 -0.000 0.000 0.194 685 E C 1.657 178.204 176.600 -0.089 0.000 0.989 685 E CA 1.007 57.378 56.400 -0.047 0.000 0.824 685 E CB -0.318 29.362 29.700 -0.033 0.000 0.756 685 E HN 0.437 nan 8.360 nan 0.000 0.477 686 A N 0.867 123.636 122.820 -0.085 0.000 2.169 686 A HA 0.056 4.376 4.320 -0.000 0.000 0.212 686 A C 1.905 179.396 177.584 -0.155 0.000 1.153 686 A CA 0.508 52.467 52.037 -0.130 0.000 0.756 686 A CB -0.091 18.863 19.000 -0.076 0.000 0.813 686 A HN 0.106 nan 8.150 nan 0.000 0.471 687 K N -0.127 120.201 120.400 -0.119 0.000 2.137 687 K HA 0.018 4.338 4.320 -0.000 0.000 0.202 687 K C 1.728 178.276 176.600 -0.088 0.000 1.052 687 K CA 1.047 57.269 56.287 -0.109 0.000 0.961 687 K CB -0.033 32.425 32.500 -0.070 0.000 0.741 687 K HN 0.314 nan 8.250 nan 0.000 0.452 688 K N 0.813 121.161 120.400 -0.088 0.000 2.228 688 K HA -0.069 4.251 4.320 -0.000 0.000 0.202 688 K C 1.851 178.376 176.600 -0.125 0.000 1.051 688 K CA 0.706 56.947 56.287 -0.078 0.000 0.960 688 K CB 0.161 32.625 32.500 -0.061 0.000 0.743 688 K HN -0.030 nan 8.250 nan 0.000 0.458 689 K N 0.733 121.003 120.400 -0.217 0.000 2.362 689 K HA -0.062 4.258 4.320 -0.000 0.000 0.200 689 K C 1.552 177.922 176.600 -0.384 0.000 1.046 689 K CA 0.509 56.560 56.287 -0.393 0.000 0.952 689 K CB 0.337 32.452 32.500 -0.643 0.000 0.753 689 K HN -0.074 nan 8.250 nan 0.000 0.466 690 V N 0.570 120.375 119.914 -0.180 0.000 2.391 690 V HA -0.158 3.961 4.120 -0.000 0.000 0.237 690 V C 1.937 178.077 176.094 0.077 0.000 1.046 690 V CA 0.907 63.219 62.300 0.021 0.000 1.053 690 V CB -0.323 31.517 31.823 0.029 0.000 0.704 690 V HN 0.298 nan 8.190 nan 0.000 0.475 691 L N 1.041 122.282 121.223 0.029 0.000 2.034 691 L HA -0.294 4.046 4.340 -0.000 0.000 0.217 691 L C 1.985 178.877 176.870 0.035 0.000 1.077 691 L CA 2.500 57.364 54.840 0.039 0.000 0.769 691 L CB -1.128 40.936 42.059 0.009 0.000 0.890 691 L HN 0.368 nan 8.230 nan 0.000 0.435 692 D N -0.628 119.778 120.400 0.010 0.000 2.106 692 D HA -0.186 4.454 4.640 -0.000 0.000 0.191 692 D C 2.200 178.522 176.300 0.037 0.000 0.997 692 D CA 1.970 55.974 54.000 0.008 0.000 0.834 692 D CB -0.438 40.353 40.800 -0.015 0.000 0.956 692 D HN 0.346 nan 8.370 nan 0.000 0.448 693 V N 0.657 120.626 119.914 0.092 0.000 2.970 693 V HA -0.146 3.974 4.120 -0.000 0.000 0.260 693 V C 2.221 178.383 176.094 0.113 0.000 1.100 693 V CA 1.560 63.953 62.300 0.155 0.000 1.122 693 V CB -0.712 31.303 31.823 0.320 0.000 0.721 693 V HN 0.220 nan 8.190 nan 0.000 0.483 694 T N -0.245 114.376 114.554 0.111 0.000 2.732 694 T HA -0.141 4.209 4.350 -0.000 0.000 0.261 694 T C 1.950 176.570 174.700 -0.132 0.000 1.040 694 T CA 1.230 63.331 62.100 0.002 0.000 1.145 694 T CB -0.130 68.804 68.868 0.110 0.000 0.866 694 T HN 0.427 nan 8.240 nan 0.000 0.427 695 K N 0.931 121.297 120.400 -0.057 0.000 2.103 695 K HA -0.037 4.283 4.320 -0.000 0.000 0.204 695 K C 2.356 178.908 176.600 -0.080 0.000 1.052 695 K CA 0.914 57.159 56.287 -0.069 0.000 0.945 695 K CB -0.112 32.368 32.500 -0.034 0.000 0.722 695 K HN 0.421 nan 8.250 nan 0.000 0.443 696 E N 0.355 120.523 120.200 -0.053 0.000 2.455 696 E HA -0.179 4.171 4.350 -0.000 0.000 0.202 696 E C 1.088 177.640 176.600 -0.081 0.000 1.045 696 E CA 0.842 57.217 56.400 -0.041 0.000 0.872 696 E CB 0.126 29.827 29.700 0.001 0.000 0.792 696 E HN 0.323 nan 8.360 nan 0.000 0.542 697 A N -0.212 122.510 122.820 -0.163 0.000 2.287 697 A HA 0.125 4.445 4.320 -0.000 0.000 0.214 697 A C 1.514 178.950 177.584 -0.246 0.000 1.228 697 A CA -0.277 51.618 52.037 -0.238 0.000 0.939 697 A CB 0.333 19.063 19.000 -0.450 0.000 0.992 697 A HN 0.166 nan 8.150 nan 0.000 0.502 698 Q N -0.423 119.247 119.800 -0.217 0.000 2.373 698 Q HA 0.265 4.605 4.340 -0.000 0.000 0.206 698 Q C 1.060 176.992 176.000 -0.113 0.000 0.942 698 Q CA 0.512 56.208 55.803 -0.178 0.000 0.953 698 Q CB 0.135 28.782 28.738 -0.151 0.000 1.022 698 Q HN 0.614 nan 8.270 nan 0.000 0.502 699 A N 0.376 123.137 122.820 -0.099 0.000 2.551 699 A HA 0.131 4.451 4.320 -0.000 0.000 0.252 699 A C 0.486 178.036 177.584 -0.057 0.000 1.199 699 A CA -0.039 51.959 52.037 -0.065 0.000 0.972 699 A CB 0.351 19.321 19.000 -0.049 0.000 1.153 699 A HN 0.377 nan 8.150 nan 0.000 0.559 700 N N -0.673 117.984 118.700 -0.072 0.000 2.780 700 N HA -0.131 4.609 4.740 -0.000 0.000 0.248 700 N C -0.009 175.479 175.510 -0.037 0.000 1.102 700 N CA 1.001 54.018 53.050 -0.055 0.000 0.697 700 N CB -1.991 36.471 38.487 -0.041 0.000 1.028 700 N HN 0.449 nan 8.380 nan 0.000 0.554 701 L N -0.783 120.417 121.223 -0.038 0.000 2.791 701 L HA 0.326 4.666 4.340 -0.000 0.000 0.239 701 L C 0.464 177.328 176.870 -0.010 0.000 1.203 701 L CA -0.070 54.758 54.840 -0.020 0.000 1.002 701 L CB 0.094 42.142 42.059 -0.018 0.000 1.295 701 L HN 0.190 nan 8.230 nan 0.000 0.504 702 L N 0.495 121.710 121.223 -0.013 0.000 2.313 702 L HA 0.361 4.701 4.340 -0.000 0.000 0.283 702 L C 0.115 176.993 176.870 0.014 0.000 1.013 702 L CA -0.253 54.591 54.840 0.006 0.000 0.816 702 L CB 2.222 44.285 42.059 0.006 0.000 1.236 702 L HN 0.002 nan 8.230 nan 0.000 0.419 703 T N 3.489 118.058 114.554 0.024 0.000 2.784 703 T HA 0.140 4.490 4.350 -0.000 0.000 0.291 703 T C 0.503 175.225 174.700 0.035 0.000 0.942 703 T CA -0.365 61.751 62.100 0.027 0.000 1.161 703 T CB 0.636 69.522 68.868 0.029 0.000 0.885 703 T HN 0.640 nan 8.240 nan 0.000 0.534 704 A N 5.577 128.418 122.820 0.034 0.000 2.489 704 A HA 0.179 4.499 4.320 -0.000 0.000 0.289 704 A C 0.725 178.344 177.584 0.058 0.000 1.216 704 A CA -0.277 51.785 52.037 0.042 0.000 0.883 704 A CB -0.264 18.758 19.000 0.037 0.000 1.110 704 A HN 0.796 nan 8.150 nan 0.000 0.523 705 K N 1.797 122.233 120.400 0.060 0.000 2.518 705 K HA -0.022 4.298 4.320 -0.000 0.000 0.276 705 K C 0.172 176.835 176.600 0.105 0.000 0.974 705 K CA 0.014 56.348 56.287 0.077 0.000 0.986 705 K CB 0.266 32.803 32.500 0.062 0.000 0.901 705 K HN 0.810 nan 8.250 nan 0.000 0.497 706 H N 0.434 119.514 119.070 0.016 0.000 3.034 706 H HA 0.062 4.618 4.556 -0.000 0.000 0.324 706 H C 1.115 176.452 175.328 0.016 0.000 1.015 706 H CA 1.550 57.605 56.048 0.012 0.000 1.429 706 H CB 0.244 30.011 29.762 0.008 0.000 1.429 706 H HN 0.795 nan 8.280 nan 0.000 0.585 707 G N 4.042 112.560 108.800 -0.470 0.000 2.176 707 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.252 707 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.252 707 G C -0.140 174.681 174.900 -0.132 0.000 1.024 707 G CA 0.462 45.353 45.100 -0.349 0.000 0.755 707 G HN 0.645 nan 8.290 nan 0.000 0.507 708 M N -0.013 119.545 119.600 -0.070 0.000 2.365 708 M HA 0.271 4.750 4.480 -0.000 0.000 0.287 708 M C 0.170 176.471 176.300 0.001 0.000 1.154 708 M CA -0.680 54.605 55.300 -0.023 0.000 0.941 708 M CB 2.085 34.682 32.600 -0.004 0.000 1.704 708 M HN 0.043 nan 8.290 nan 0.000 0.479 709 T N 2.028 116.587 114.554 0.009 0.000 2.906 709 T HA 0.080 4.430 4.350 -0.000 0.000 0.320 709 T C 1.360 176.085 174.700 0.040 0.000 1.088 709 T CA -0.165 61.949 62.100 0.024 0.000 1.120 709 T CB 0.477 69.364 68.868 0.030 0.000 1.000 709 T HN 0.443 nan 8.240 nan 0.000 0.550 710 L N 1.576 122.822 121.223 0.038 0.000 2.187 710 L HA -0.051 4.289 4.340 -0.000 0.000 0.213 710 L C 2.586 179.507 176.870 0.085 0.000 1.100 710 L CA 1.647 56.514 54.840 0.044 0.000 0.765 710 L CB -0.655 41.413 42.059 0.014 0.000 0.904 710 L HN 0.483 nan 8.230 nan 0.000 0.437 711 R N -0.181 120.373 120.500 0.091 0.000 2.056 711 R HA -0.078 4.262 4.340 -0.000 0.000 0.227 711 R C 2.245 178.641 176.300 0.161 0.000 1.149 711 R CA 1.183 57.379 56.100 0.159 0.000 0.937 711 R CB -0.264 30.113 30.300 0.129 0.000 0.835 711 R HN 0.342 nan 8.270 nan 0.000 0.430 712 E N -0.313 119.939 120.200 0.086 0.000 2.187 712 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 712 E C 1.846 178.472 176.600 0.043 0.000 1.004 712 E CA 1.663 58.090 56.400 0.045 0.000 0.813 712 E CB -0.054 29.658 29.700 0.020 0.000 0.736 712 E HN 0.252 nan 8.360 nan 0.000 0.468 713 S N 0.272 116.016 115.700 0.073 0.000 2.436 713 S HA -0.080 4.390 4.470 -0.000 0.000 0.228 713 S C 1.461 176.134 174.600 0.122 0.000 1.014 713 S CA 0.386 58.629 58.200 0.071 0.000 0.950 713 S CB -0.171 63.071 63.200 0.071 0.000 0.784 713 S HN 0.289 nan 8.310 nan 0.000 0.504 714 F N 3.151 123.103 119.950 0.003 0.000 2.084 714 F HA -0.039 4.488 4.527 -0.000 0.000 0.296 714 F C 2.169 177.979 175.800 0.017 0.000 1.111 714 F CA 1.352 59.361 58.000 0.015 0.000 1.224 714 F CB -0.669 38.344 39.000 0.022 0.000 0.991 714 F HN 0.059 nan 8.300 nan 0.000 0.471 715 E N 0.261 120.294 120.200 -0.279 0.000 2.038 715 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 715 E C 2.089 178.535 176.600 -0.257 0.000 1.000 715 E CA 1.444 57.601 56.400 -0.404 0.000 0.803 715 E CB -0.987 28.584 29.700 -0.214 0.000 0.750 715 E HN 0.496 nan 8.360 nan 0.000 0.448 716 D N 0.842 121.155 120.400 -0.144 0.000 2.218 716 D HA -0.211 4.428 4.640 -0.000 0.000 0.194 716 D C 1.452 177.640 176.300 -0.188 0.000 1.007 716 D CA 1.135 55.060 54.000 -0.125 0.000 0.879 716 D CB 0.020 40.777 40.800 -0.073 0.000 0.918 716 D HN 0.114 nan 8.370 nan 0.000 0.449 717 N N -0.155 118.411 118.700 -0.224 0.000 2.197 717 N HA -0.094 4.646 4.740 -0.000 0.000 0.184 717 N C 2.237 177.461 175.510 -0.477 0.000 1.030 717 N CA 0.679 53.481 53.050 -0.412 0.000 0.851 717 N CB -0.579 37.709 38.487 -0.331 0.000 1.003 717 N HN 0.117 nan 8.380 nan 0.000 0.430 718 V N 1.790 121.544 119.914 -0.267 0.000 2.233 718 V HA -0.256 3.864 4.120 -0.000 0.000 0.252 718 V C 2.579 178.615 176.094 -0.097 0.000 1.063 718 V CA 1.663 63.886 62.300 -0.129 0.000 1.032 718 V CB -0.866 30.757 31.823 -0.334 0.000 0.645 718 V HN 0.050 nan 8.190 nan 0.000 0.446 719 V N -0.477 119.348 119.914 -0.148 0.000 2.287 719 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 719 V C 2.588 178.647 176.094 -0.058 0.000 1.053 719 V CA 2.484 64.736 62.300 -0.080 0.000 1.027 719 V CB -0.796 30.975 31.823 -0.086 0.000 0.646 719 V HN 0.455 nan 8.190 nan 0.000 0.447 720 R N -1.277 119.138 120.500 -0.143 0.000 2.159 720 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 720 R C 2.211 178.475 176.300 -0.060 0.000 1.131 720 R CA 1.682 57.696 56.100 -0.143 0.000 0.982 720 R CB -0.241 29.903 30.300 -0.260 0.000 0.868 720 R HN 0.556 nan 8.270 nan 0.000 0.453 721 F N -0.044 119.891 119.950 -0.024 0.000 2.074 721 F HA -0.148 4.379 4.527 -0.000 0.000 0.290 721 F C 2.228 178.007 175.800 -0.035 0.000 1.118 721 F CA 0.386 58.370 58.000 -0.027 0.000 1.199 721 F CB -0.268 38.706 39.000 -0.043 0.000 1.012 721 F HN -0.067 nan 8.300 nan 0.000 0.472 722 L N 0.322 121.625 121.223 0.133 0.000 1.997 722 L HA -0.334 4.006 4.340 -0.000 0.000 0.216 722 L C 2.135 179.096 176.870 0.152 0.000 1.074 722 L CA 1.450 56.291 54.840 0.003 0.000 0.763 722 L CB -0.876 41.110 42.059 -0.122 0.000 0.890 722 L HN 0.160 nan 8.230 nan 0.000 0.434 723 N N -0.285 118.502 118.700 0.146 0.000 2.084 723 N HA -0.214 4.526 4.740 -0.000 0.000 0.190 723 N C 1.818 177.405 175.510 0.128 0.000 1.030 723 N CA 1.245 54.377 53.050 0.138 0.000 0.849 723 N CB -0.280 38.259 38.487 0.087 0.000 1.012 723 N HN 0.363 nan 8.380 nan 0.000 0.423 724 E N 0.239 120.513 120.200 0.124 0.000 2.187 724 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 724 E C 1.668 178.347 176.600 0.131 0.000 1.004 724 E CA 1.189 57.667 56.400 0.130 0.000 0.813 724 E CB 0.013 29.811 29.700 0.164 0.000 0.736 724 E HN 0.399 nan 8.360 nan 0.000 0.468 725 A N 0.883 123.785 122.820 0.136 0.000 1.835 725 A HA -0.138 4.181 4.320 -0.000 0.000 0.213 725 A C 2.056 179.726 177.584 0.143 0.000 1.210 725 A CA 1.272 53.384 52.037 0.125 0.000 0.605 725 A CB -0.552 18.512 19.000 0.107 0.000 0.860 725 A HN 0.145 nan 8.150 nan 0.000 0.447 726 R N -0.075 120.532 120.500 0.179 0.000 2.165 726 R HA -0.283 4.057 4.340 -0.000 0.000 0.254 726 R C 1.545 177.896 176.300 0.085 0.000 1.153 726 R CA 2.507 58.691 56.100 0.140 0.000 0.971 726 R CB -0.569 29.810 30.300 0.133 0.000 0.878 726 R HN 0.606 nan 8.270 nan 0.000 0.449 727 D N -0.489 119.977 120.400 0.109 0.000 2.085 727 D HA -0.165 4.475 4.640 -0.000 0.000 0.199 727 D C 1.820 178.258 176.300 0.231 0.000 0.981 727 D CA 1.849 55.943 54.000 0.155 0.000 0.834 727 D CB -0.059 40.852 40.800 0.186 0.000 0.992 727 D HN 0.389 nan 8.370 nan 0.000 0.457 728 K N 0.790 121.295 120.400 0.174 0.000 2.362 728 K HA 0.050 4.370 4.320 -0.000 0.000 0.200 728 K C 1.872 178.556 176.600 0.140 0.000 1.046 728 K CA 1.104 57.483 56.287 0.153 0.000 0.952 728 K CB 0.006 32.572 32.500 0.109 0.000 0.753 728 K HN 0.071 nan 8.250 nan 0.000 0.466 729 A N 1.616 124.513 122.820 0.129 0.000 1.930 729 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 729 A C 2.426 180.083 177.584 0.123 0.000 1.175 729 A CA 1.555 53.656 52.037 0.106 0.000 0.627 729 A CB -1.131 17.924 19.000 0.092 0.000 0.815 729 A HN 0.542 nan 8.150 nan 0.000 0.443 730 G N -0.587 108.310 108.800 0.163 0.000 2.414 730 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.215 730 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.215 730 G C 1.599 176.709 174.900 0.350 0.000 1.188 730 G CA 0.667 45.908 45.100 0.236 0.000 0.783 730 G HN 0.521 nan 8.290 nan 0.000 0.537 731 R N -0.144 120.582 120.500 0.377 0.000 2.350 731 R HA -0.053 4.287 4.340 -0.000 0.000 0.246 731 R C 2.310 178.669 176.300 0.097 0.000 1.182 731 R CA 0.644 56.835 56.100 0.151 0.000 1.030 731 R CB -0.312 30.033 30.300 0.076 0.000 0.861 731 R HN 0.385 nan 8.270 nan 0.000 0.483 732 L N -1.236 120.058 121.223 0.118 0.000 2.130 732 L HA 0.027 4.367 4.340 -0.000 0.000 0.200 732 L C 2.569 179.487 176.870 0.080 0.000 1.075 732 L CA 0.865 55.753 54.840 0.080 0.000 0.768 732 L CB -0.541 41.562 42.059 0.074 0.000 0.933 732 L HN 0.150 nan 8.230 nan 0.000 0.451 733 A N 0.036 122.917 122.820 0.101 0.000 1.972 733 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 733 A C 2.190 179.836 177.584 0.103 0.000 1.169 733 A CA 1.721 53.813 52.037 0.092 0.000 0.635 733 A CB -0.538 18.518 19.000 0.094 0.000 0.810 733 A HN 0.497 nan 8.150 nan 0.000 0.446 734 E N -0.213 120.071 120.200 0.141 0.000 2.204 734 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 734 E C 1.330 177.961 176.600 0.051 0.000 0.990 734 E CA 1.509 57.980 56.400 0.119 0.000 0.821 734 E CB -0.016 29.747 29.700 0.104 0.000 0.750 734 E HN 0.377 nan 8.360 nan 0.000 0.477 735 V N 1.028 120.967 119.914 0.040 0.000 3.263 735 V HA -0.040 4.080 4.120 -0.000 0.000 0.248 735 V C 1.992 178.104 176.094 0.030 0.000 1.145 735 V CA 0.886 63.199 62.300 0.022 0.000 1.107 735 V CB -0.109 31.721 31.823 0.011 0.000 0.797 735 V HN 0.335 nan 8.190 nan 0.000 0.467 736 N N 0.636 119.360 118.700 0.040 0.000 2.461 736 N HA 0.050 4.790 4.740 -0.000 0.000 0.188 736 N C 0.288 175.822 175.510 0.039 0.000 1.134 736 N CA 0.178 53.250 53.050 0.037 0.000 0.878 736 N CB 0.181 38.691 38.487 0.038 0.000 0.972 736 N HN 0.383 nan 8.380 nan 0.000 0.456 737 L N 2.453 123.703 121.223 0.046 0.000 2.264 737 L HA 0.257 4.597 4.340 -0.000 0.000 0.289 737 L C 0.243 177.139 176.870 0.044 0.000 1.044 737 L CA -0.597 54.271 54.840 0.048 0.000 0.807 737 L CB 1.298 43.393 42.059 0.059 0.000 1.192 737 L HN -0.078 nan 8.230 nan 0.000 0.425 738 K N 1.905 122.330 120.400 0.041 0.000 2.276 738 K HA 0.018 4.338 4.320 -0.000 0.000 0.259 738 K C 0.108 176.736 176.600 0.047 0.000 1.001 738 K CA -0.443 55.868 56.287 0.040 0.000 0.927 738 K CB 0.618 33.140 32.500 0.037 0.000 0.969 738 K HN 0.417 nan 8.250 nan 0.000 0.490 739 D N 0.969 121.395 120.400 0.044 0.000 2.407 739 D HA -0.065 4.575 4.640 -0.000 0.000 0.234 739 D C 0.850 177.187 176.300 0.062 0.000 1.029 739 D CA 0.687 54.716 54.000 0.048 0.000 0.937 739 D CB -0.163 40.661 40.800 0.040 0.000 0.882 739 D HN 0.403 nan 8.370 nan 0.000 0.531 740 L N -2.867 118.395 121.223 0.065 0.000 2.672 740 L HA 0.302 4.642 4.340 -0.000 0.000 0.236 740 L C 0.475 177.398 176.870 0.088 0.000 1.092 740 L CA -0.419 54.467 54.840 0.077 0.000 0.887 740 L CB -0.680 41.415 42.059 0.060 0.000 1.168 740 L HN -0.280 nan 8.230 nan 0.000 0.502 741 N N 1.536 120.282 118.700 0.077 0.000 2.447 741 N HA -0.016 4.724 4.740 -0.000 0.000 0.263 741 N C 0.942 176.521 175.510 0.115 0.000 1.226 741 N CA 0.194 53.289 53.050 0.075 0.000 0.906 741 N CB 0.439 38.966 38.487 0.065 0.000 1.060 741 N HN 0.197 nan 8.380 nan 0.000 0.468 742 N N 2.923 121.690 118.700 0.112 0.000 2.013 742 N HA -0.172 4.568 4.740 -0.000 0.000 0.195 742 N C 1.494 177.128 175.510 0.206 0.000 1.051 742 N CA 1.317 54.486 53.050 0.197 0.000 0.851 742 N CB -0.711 37.758 38.487 -0.029 0.000 1.044 742 N HN 0.329 nan 8.380 nan 0.000 0.422 743 V N 2.039 122.022 119.914 0.116 0.000 2.311 743 V HA -0.303 3.817 4.120 -0.000 0.000 0.256 743 V C 2.544 178.707 176.094 0.116 0.000 1.077 743 V CA 1.921 64.286 62.300 0.109 0.000 1.067 743 V CB -0.612 31.255 31.823 0.073 0.000 0.659 743 V HN 0.412 nan 8.190 nan 0.000 0.451 744 K N -0.526 119.938 120.400 0.106 0.000 1.984 744 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 744 K C 2.328 178.983 176.600 0.091 0.000 1.046 744 K CA 1.802 58.144 56.287 0.092 0.000 0.934 744 K CB -0.233 32.313 32.500 0.077 0.000 0.717 744 K HN 0.532 nan 8.250 nan 0.000 0.438 745 Q N 0.098 119.963 119.800 0.109 0.000 2.082 745 Q HA -0.264 4.075 4.340 -0.000 0.000 0.211 745 Q C 2.220 178.256 176.000 0.060 0.000 1.002 745 Q CA 2.561 58.414 55.803 0.084 0.000 0.868 745 Q CB -0.230 28.581 28.738 0.121 0.000 0.931 745 Q HN 0.437 nan 8.270 nan 0.000 0.414 746 M N -0.238 119.434 119.600 0.120 0.000 2.149 746 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 746 M C 2.215 178.554 176.300 0.064 0.000 1.064 746 M CA 1.119 56.477 55.300 0.096 0.000 1.102 746 M CB -0.245 32.453 32.600 0.164 0.000 1.369 746 M HN 0.114 nan 8.290 nan 0.000 0.408 747 V N 0.137 120.094 119.914 0.073 0.000 2.427 747 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 747 V C 2.303 178.422 176.094 0.041 0.000 1.051 747 V CA 1.527 63.864 62.300 0.063 0.000 1.048 747 V CB -0.549 31.321 31.823 0.078 0.000 0.666 747 V HN 0.493 nan 8.190 nan 0.000 0.456 748 M N 0.021 119.640 119.600 0.032 0.000 2.077 748 M HA -0.099 4.381 4.480 -0.000 0.000 0.261 748 M C 2.477 178.777 176.300 0.000 0.000 1.070 748 M CA 2.105 57.413 55.300 0.014 0.000 1.125 748 M CB -0.615 31.992 32.600 0.011 0.000 1.339 748 M HN 0.369 nan 8.290 nan 0.000 0.409 749 A N -0.025 122.789 122.820 -0.011 0.000 1.978 749 A HA -0.008 4.312 4.320 -0.000 0.000 0.220 749 A C 1.808 179.385 177.584 -0.012 0.000 1.170 749 A CA 1.757 53.778 52.037 -0.027 0.000 0.636 749 A CB -1.214 17.756 19.000 -0.050 0.000 0.810 749 A HN 0.763 nan 8.150 nan 0.000 0.448 750 G N -1.460 107.343 108.800 0.005 0.000 2.132 750 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.228 750 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.228 750 G C 0.956 175.865 174.900 0.016 0.000 1.000 750 G CA 1.168 46.277 45.100 0.014 0.000 0.693 750 G HN 1.540 nan 8.290 nan 0.000 0.515 751 S N -1.657 114.052 115.700 0.015 0.000 2.461 751 S HA 0.445 4.915 4.470 -0.000 0.000 0.228 751 S C 0.900 175.520 174.600 0.034 0.000 1.005 751 S CA 1.429 59.641 58.200 0.021 0.000 0.942 751 S CB 0.614 63.823 63.200 0.015 0.000 0.776 751 S HN 0.459 nan 8.310 nan 0.000 0.514 752 K N -0.365 120.060 120.400 0.042 0.000 2.660 752 K HA 0.489 4.809 4.320 -0.000 0.000 0.285 752 K C -0.128 176.502 176.600 0.050 0.000 0.997 752 K CA 0.326 56.639 56.287 0.044 0.000 0.861 752 K CB 1.014 33.545 32.500 0.052 0.000 1.469 752 K HN 0.534 nan 8.250 nan 0.000 0.395 753 G N 1.119 109.945 108.800 0.042 0.000 2.954 753 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.672 753 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.672 753 G C -0.320 174.617 174.900 0.062 0.000 1.598 753 G CA 0.233 45.362 45.100 0.047 0.000 1.063 753 G HN 1.134 nan 8.290 nan 0.000 0.584 754 S N 0.432 116.176 115.700 0.074 0.000 2.851 754 S HA 0.753 5.222 4.470 -0.000 0.000 0.313 754 S C 0.894 175.597 174.600 0.172 0.000 1.163 754 S CA 0.280 58.547 58.200 0.112 0.000 0.850 754 S CB 1.398 64.659 63.200 0.100 0.000 1.245 754 S HN 1.759 nan 8.310 nan 0.000 0.558 755 F N 1.660 121.627 119.950 0.028 0.000 2.021 755 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 755 F C 2.075 177.898 175.800 0.037 0.000 1.152 755 F CA 1.626 59.645 58.000 0.032 0.000 1.201 755 F CB -0.899 38.118 39.000 0.029 0.000 0.951 755 F HN 0.494 nan 8.300 nan 0.000 0.504 756 I N 1.239 121.629 120.570 -0.300 0.000 2.178 756 I HA -0.486 3.684 4.170 -0.000 0.000 0.243 756 I C 2.248 178.239 176.117 -0.209 0.000 1.019 756 I CA 2.145 63.204 61.300 -0.402 0.000 1.294 756 I CB -1.562 36.337 38.000 -0.168 0.000 0.996 756 I HN 0.381 nan 8.210 nan 0.000 0.415 757 N N 0.739 119.401 118.700 -0.063 0.000 2.061 757 N HA -0.202 4.538 4.740 -0.000 0.000 0.193 757 N C 1.964 177.481 175.510 0.012 0.000 1.030 757 N CA 1.595 54.641 53.050 -0.005 0.000 0.856 757 N CB -0.398 38.102 38.487 0.020 0.000 1.023 757 N HN 0.430 nan 8.380 nan 0.000 0.424 758 I N 1.450 122.041 120.570 0.035 0.000 2.118 758 I HA -0.304 3.866 4.170 -0.000 0.000 0.241 758 I C 2.475 178.612 176.117 0.032 0.000 1.070 758 I CA 1.237 62.581 61.300 0.074 0.000 1.327 758 I CB -0.483 37.619 38.000 0.171 0.000 1.034 758 I HN 0.086 nan 8.210 nan 0.000 0.405 759 A N 0.430 123.209 122.820 -0.068 0.000 1.842 759 A HA -0.321 3.999 4.320 -0.000 0.000 0.217 759 A C 2.205 179.754 177.584 -0.058 0.000 1.206 759 A CA 2.045 54.018 52.037 -0.108 0.000 0.630 759 A CB -1.081 17.715 19.000 -0.340 0.000 0.839 759 A HN 0.501 nan 8.150 nan 0.000 0.447 760 Q N -1.279 118.485 119.800 -0.059 0.000 2.268 760 Q HA -0.223 4.117 4.340 -0.000 0.000 0.210 760 Q C 2.163 178.252 176.000 0.149 0.000 0.988 760 Q CA 1.868 57.680 55.803 0.015 0.000 0.883 760 Q CB -0.314 28.513 28.738 0.147 0.000 0.911 760 Q HN 0.758 nan 8.270 nan 0.000 0.430 761 M N -1.235 118.462 119.600 0.161 0.000 2.299 761 M HA -0.042 4.438 4.480 -0.000 0.000 0.264 761 M C 2.053 178.408 176.300 0.092 0.000 1.095 761 M CA 1.002 56.414 55.300 0.188 0.000 1.165 761 M CB 0.324 32.995 32.600 0.120 0.000 1.349 761 M HN 0.004 nan 8.290 nan 0.000 0.446 762 S N 0.223 115.958 115.700 0.058 0.000 2.441 762 S HA 0.222 4.692 4.470 -0.000 0.000 0.224 762 S C 1.682 176.298 174.600 0.026 0.000 1.043 762 S CA 0.667 58.893 58.200 0.043 0.000 0.948 762 S CB 0.085 63.317 63.200 0.053 0.000 0.810 762 S HN 0.439 nan 8.310 nan 0.000 0.504 763 A N 0.123 122.953 122.820 0.016 0.000 2.453 763 A HA 0.518 4.838 4.320 -0.000 0.000 0.225 763 A C 0.731 178.298 177.584 -0.027 0.000 2.127 763 A CA 0.324 52.367 52.037 0.010 0.000 0.864 763 A CB -0.527 18.492 19.000 0.032 0.000 1.440 763 A HN 0.512 nan 8.150 nan 0.000 0.566 764 C N -0.773 118.495 119.300 -0.054 0.000 2.535 764 C HA 0.589 5.049 4.460 -0.000 0.000 0.319 764 C C 1.661 176.533 174.990 -0.196 0.000 1.171 764 C CA -0.410 58.540 59.018 -0.114 0.000 1.394 764 C CB 0.498 28.210 27.740 -0.047 0.000 1.990 764 C HN 0.548 nan 8.230 nan 0.000 0.466 765 V N 5.199 124.916 119.914 -0.328 0.000 2.220 765 V HA 0.278 4.398 4.120 -0.000 0.000 0.242 765 V C 1.625 177.516 176.094 -0.338 0.000 1.041 765 V CA 2.541 64.587 62.300 -0.422 0.000 0.990 765 V CB -1.060 30.377 31.823 -0.644 0.000 0.634 765 V HN 1.460 nan 8.190 nan 0.000 0.452 766 G N -1.265 107.258 108.800 -0.461 0.000 2.359 766 G HA2 0.329 4.289 3.960 -0.000 0.000 0.293 766 G HA3 0.329 4.289 3.960 -0.000 0.000 0.293 766 G C -1.527 173.124 174.900 -0.416 0.000 1.300 766 G CA -0.120 44.768 45.100 -0.354 0.000 0.888 766 G HN 0.436 nan 8.290 nan 0.000 0.541 767 Q N 0.302 120.055 119.800 -0.079 0.000 2.360 767 Q HA 0.628 4.968 4.340 -0.000 0.000 0.254 767 Q C 0.092 176.131 176.000 0.066 0.000 0.975 767 Q CA -0.306 55.564 55.803 0.112 0.000 0.912 767 Q CB 1.089 30.026 28.738 0.332 0.000 1.212 767 Q HN 0.469 nan 8.270 nan 0.000 0.452 768 Q N 1.620 121.465 119.800 0.075 0.000 2.392 768 Q HA 0.422 4.762 4.340 -0.000 0.000 0.262 768 Q C -0.821 175.203 176.000 0.039 0.000 1.003 768 Q CA 0.392 56.247 55.803 0.085 0.000 0.888 768 Q CB 1.068 29.897 28.738 0.153 0.000 1.260 768 Q HN 0.810 nan 8.270 nan 0.000 0.435 769 S N -0.374 115.335 115.700 0.014 0.000 2.588 769 S HA 0.853 5.323 4.470 -0.000 0.000 0.275 769 S C -1.252 173.327 174.600 -0.035 0.000 1.130 769 S CA -0.933 57.254 58.200 -0.020 0.000 0.855 769 S CB 1.433 64.623 63.200 -0.017 0.000 1.116 769 S HN 0.225 nan 8.310 nan 0.000 0.472 770 V N 1.594 121.478 119.914 -0.051 0.000 2.532 770 V HA 0.528 4.648 4.120 -0.000 0.000 0.294 770 V C -0.220 175.843 176.094 -0.052 0.000 1.036 770 V CA -0.643 61.625 62.300 -0.053 0.000 0.876 770 V CB 0.469 32.255 31.823 -0.061 0.000 1.012 770 V HN 1.147 nan 8.190 nan 0.000 0.432 771 E N 3.314 123.488 120.200 -0.043 0.000 2.868 771 E HA -0.287 4.063 4.350 -0.000 0.000 0.278 771 E C 1.301 177.877 176.600 -0.040 0.000 1.009 771 E CA 0.811 57.189 56.400 -0.038 0.000 0.856 771 E CB -1.317 28.360 29.700 -0.038 0.000 1.428 771 E HN 1.563 nan 8.360 nan 0.000 0.423 772 G N 0.103 108.879 108.800 -0.040 0.000 2.579 772 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.222 772 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.222 772 G C 0.219 175.085 174.900 -0.057 0.000 1.201 772 G CA 0.406 45.482 45.100 -0.041 0.000 0.710 772 G HN 0.216 nan 8.290 nan 0.000 0.516 773 K N 2.991 123.349 120.400 -0.069 0.000 2.383 773 K HA 0.407 4.727 4.320 -0.000 0.000 0.286 773 K C 1.006 177.538 176.600 -0.114 0.000 1.051 773 K CA -0.392 55.836 56.287 -0.098 0.000 0.974 773 K CB 0.533 32.970 32.500 -0.105 0.000 0.968 773 K HN 0.663 nan 8.250 nan 0.000 0.475 774 R N 2.645 123.069 120.500 -0.127 0.000 2.697 774 R HA 0.002 4.342 4.340 -0.000 0.000 0.265 774 R C 0.235 176.426 176.300 -0.182 0.000 1.009 774 R CA -0.654 55.369 56.100 -0.127 0.000 1.099 774 R CB -0.121 30.108 30.300 -0.118 0.000 0.965 774 R HN 0.443 nan 8.270 nan 0.000 0.428 775 I N 1.109 121.566 120.570 -0.187 0.000 3.442 775 I HA -0.285 3.885 4.170 -0.000 0.000 0.358 775 I C 1.024 176.995 176.117 -0.244 0.000 1.163 775 I CA 0.926 62.078 61.300 -0.248 0.000 1.629 775 I CB -1.383 36.321 38.000 -0.494 0.000 1.237 775 I HN 0.864 nan 8.210 nan 0.000 0.453 776 A N 8.070 130.787 122.820 -0.172 0.000 2.274 776 A HA 0.599 4.919 4.320 -0.000 0.000 0.297 776 A C 0.024 177.642 177.584 0.056 0.000 1.191 776 A CA -0.575 51.360 52.037 -0.170 0.000 0.889 776 A CB 0.466 19.391 19.000 -0.126 0.000 1.294 776 A HN 0.572 nan 8.150 nan 0.000 0.506 777 F N 1.010 120.927 119.950 -0.055 0.000 2.605 777 F HA 0.224 4.751 4.527 -0.000 0.000 0.352 777 F C 1.688 177.507 175.800 0.032 0.000 1.236 777 F CA -0.281 57.722 58.000 0.006 0.000 1.267 777 F CB 0.310 39.323 39.000 0.021 0.000 1.632 777 F HN 0.792 nan 8.300 nan 0.000 0.639 778 G N 2.410 111.316 108.800 0.177 0.000 2.394 778 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.215 778 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.215 778 G C 0.476 175.464 174.900 0.147 0.000 1.165 778 G CA -0.104 45.039 45.100 0.071 0.000 0.784 778 G HN 0.383 nan 8.290 nan 0.000 0.535 779 F N 1.516 121.503 119.950 0.062 0.000 2.444 779 F HA 0.270 4.797 4.527 -0.000 0.000 0.360 779 F C 0.617 176.405 175.800 -0.021 0.000 1.106 779 F CA -1.156 56.852 58.000 0.013 0.000 1.170 779 F CB 1.391 40.386 39.000 -0.008 0.000 1.113 779 F HN -0.269 nan 8.300 nan 0.000 0.521 780 V N 6.031 126.054 119.914 0.182 0.000 2.899 780 V HA -0.268 3.851 4.120 -0.000 0.000 0.293 780 V C 0.378 176.431 176.094 -0.067 0.000 1.114 780 V CA 0.813 63.152 62.300 0.064 0.000 1.270 780 V CB -0.877 30.969 31.823 0.038 0.000 0.814 780 V HN 0.837 nan 8.190 nan 0.000 0.457 781 D N 3.850 124.165 120.400 -0.141 0.000 2.697 781 D HA -0.194 4.446 4.640 -0.000 0.000 0.235 781 D C 0.420 176.059 176.300 -1.101 0.000 1.167 781 D CA 1.584 55.264 54.000 -0.533 0.000 0.656 781 D CB -0.322 40.381 40.800 -0.161 0.000 1.025 781 D HN 1.017 nan 8.370 nan 0.000 0.419 782 R N -4.075 115.591 120.500 -1.390 0.000 3.231 782 R HA 0.233 4.573 4.340 -0.000 0.000 0.279 782 R C 0.254 176.560 176.300 0.009 0.000 0.990 782 R CA -0.781 54.876 56.100 -0.738 0.000 0.879 782 R CB -0.015 30.181 30.300 -0.172 0.000 1.289 782 R HN -0.199 nan 8.270 nan 0.000 0.529 783 T N 0.724 115.483 114.554 0.342 0.000 2.643 783 T HA 0.165 4.515 4.350 -0.000 0.000 0.256 783 T C 0.858 175.757 174.700 0.332 0.000 1.061 783 T CA 0.878 63.203 62.100 0.375 0.000 1.163 783 T CB -0.129 68.992 68.868 0.423 0.000 0.865 783 T HN 0.279 nan 8.240 nan 0.000 0.407 784 L N 0.875 122.294 121.223 0.327 0.000 2.298 784 L HA 0.361 4.701 4.340 -0.000 0.000 0.268 784 L C -1.629 175.367 176.870 0.209 0.000 1.010 784 L CA -2.352 52.589 54.840 0.168 0.000 0.812 784 L CB 1.538 43.380 42.059 -0.360 0.000 1.331 784 L HN -0.037 nan 8.230 nan 0.000 0.450 785 P HA -0.040 nan 4.420 nan 0.000 0.249 785 P C 0.547 177.896 177.300 0.081 0.000 1.229 785 P CA 0.946 63.993 63.100 -0.089 0.000 0.788 785 P CB -0.037 31.520 31.700 -0.239 0.000 1.072 786 H N -1.216 117.712 119.070 -0.237 0.000 2.555 786 H HA 0.257 4.812 4.556 -0.000 0.000 0.283 786 H C 0.077 175.259 175.328 -0.243 0.000 1.037 786 H CA -0.267 55.598 56.048 -0.305 0.000 1.169 786 H CB -0.283 29.198 29.762 -0.467 0.000 1.375 786 H HN 0.184 nan 8.280 nan 0.000 0.582 787 F N -0.014 120.025 119.950 0.148 0.000 2.588 787 F HA 0.264 4.791 4.527 -0.000 0.000 0.310 787 F C 0.085 175.904 175.800 0.031 0.000 1.082 787 F CA -1.381 56.678 58.000 0.097 0.000 0.929 787 F CB 2.012 41.081 39.000 0.116 0.000 1.254 787 F HN -0.145 nan 8.300 nan 0.000 0.455 788 S N 2.339 118.183 115.700 0.240 0.000 2.505 788 S HA 0.166 4.636 4.470 -0.000 0.000 0.276 788 S C -0.147 174.490 174.600 0.062 0.000 1.274 788 S CA -0.812 57.452 58.200 0.106 0.000 1.053 788 S CB 0.534 63.783 63.200 0.082 0.000 0.919 788 S HN 0.416 nan 8.310 nan 0.000 0.490 789 K N 1.973 122.377 120.400 0.006 0.000 2.584 789 K HA -0.128 4.192 4.320 -0.000 0.000 0.277 789 K C -0.070 176.520 176.600 -0.016 0.000 0.960 789 K CA 0.695 56.948 56.287 -0.056 0.000 0.975 789 K CB -0.085 32.383 32.500 -0.054 0.000 0.885 789 K HN 0.641 nan 8.250 nan 0.000 0.515 790 D N 0.552 120.925 120.400 -0.045 0.000 2.701 790 D HA -0.176 4.464 4.640 -0.000 0.000 0.235 790 D C -0.721 175.750 176.300 0.285 0.000 1.155 790 D CA 0.971 55.081 54.000 0.184 0.000 0.649 790 D CB -0.642 40.257 40.800 0.164 0.000 1.050 790 D HN 0.428 nan 8.370 nan 0.000 0.425 791 D N -0.168 120.365 120.400 0.221 0.000 2.467 791 D HA 0.089 4.729 4.640 -0.000 0.000 0.220 791 D C 0.212 176.695 176.300 0.305 0.000 1.103 791 D CA -0.471 53.644 54.000 0.190 0.000 0.886 791 D CB 0.214 41.008 40.800 -0.011 0.000 1.025 791 D HN 0.165 nan 8.370 nan 0.000 0.514 792 Y N 1.528 121.941 120.300 0.189 0.000 2.519 792 Y HA -0.052 4.498 4.550 -0.000 0.000 0.287 792 Y C 1.709 177.683 175.900 0.124 0.000 1.128 792 Y CA 0.105 58.330 58.100 0.210 0.000 1.282 792 Y CB -0.248 38.393 38.460 0.301 0.000 1.027 792 Y HN 0.314 nan 8.280 nan 0.000 0.551 793 S N 1.933 117.753 115.700 0.200 0.000 2.550 793 S HA -0.075 4.395 4.470 -0.000 0.000 0.285 793 S C -1.231 173.391 174.600 0.036 0.000 1.326 793 S CA -0.731 57.528 58.200 0.098 0.000 1.037 793 S CB 0.640 63.862 63.200 0.037 0.000 0.838 793 S HN 0.146 nan 8.310 nan 0.000 0.519 794 P HA -0.135 nan 4.420 nan 0.000 0.216 794 P C 0.588 177.961 177.300 0.122 0.000 1.150 794 P CA 1.414 64.519 63.100 0.008 0.000 0.837 794 P CB -0.183 31.427 31.700 -0.150 0.000 0.786 795 E N -0.375 119.886 120.200 0.102 0.000 2.527 795 E HA -0.033 4.317 4.350 -0.000 0.000 0.204 795 E C 1.812 178.516 176.600 0.174 0.000 1.132 795 E CA 0.590 57.098 56.400 0.181 0.000 0.905 795 E CB -0.503 29.268 29.700 0.118 0.000 0.875 795 E HN 0.274 nan 8.360 nan 0.000 0.548 796 S N -0.753 115.000 115.700 0.089 0.000 3.171 796 S HA 0.056 4.526 4.470 -0.000 0.000 0.258 796 S C 1.334 175.997 174.600 0.105 0.000 1.083 796 S CA -0.347 57.893 58.200 0.068 0.000 0.801 796 S CB 0.205 63.173 63.200 -0.386 0.000 0.831 796 S HN -0.078 nan 8.310 nan 0.000 0.462 797 K N 1.681 122.078 120.400 -0.006 0.000 2.585 797 K HA 0.138 4.458 4.320 -0.000 0.000 0.194 797 K C 0.835 177.339 176.600 -0.159 0.000 1.037 797 K CA 0.849 57.056 56.287 -0.134 0.000 0.964 797 K CB -0.422 31.985 32.500 -0.155 0.000 0.787 797 K HN 0.681 nan 8.250 nan 0.000 0.488 798 G N 1.622 110.426 108.800 0.006 0.000 2.797 798 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.192 798 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.192 798 G C -0.906 174.198 174.900 0.340 0.000 1.101 798 G CA -0.647 44.567 45.100 0.191 0.000 0.930 798 G HN 0.204 nan 8.290 nan 0.000 0.512 799 F N 1.593 121.681 119.950 0.230 0.000 2.477 799 F HA 0.658 5.185 4.527 -0.000 0.000 0.335 799 F C -0.040 175.829 175.800 0.115 0.000 1.130 799 F CA -1.106 56.969 58.000 0.126 0.000 0.948 799 F CB 1.976 41.024 39.000 0.080 0.000 1.154 799 F HN 0.114 nan 8.300 nan 0.000 0.439 800 V N 7.368 126.943 119.914 -0.565 0.000 2.368 800 V HA 0.129 4.249 4.120 -0.000 0.000 0.266 800 V C 0.854 176.517 176.094 -0.718 0.000 1.045 800 V CA -0.034 61.988 62.300 -0.464 0.000 0.899 800 V CB 1.110 32.691 31.823 -0.403 0.000 1.006 800 V HN 0.965 nan 8.190 nan 0.000 0.470 801 E N 4.417 124.427 120.200 -0.316 0.000 2.086 801 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 801 E C 1.007 177.533 176.600 -0.124 0.000 0.975 801 E CA 0.244 56.578 56.400 -0.110 0.000 0.813 801 E CB 0.293 30.096 29.700 0.171 0.000 0.768 801 E HN 0.764 nan 8.360 nan 0.000 0.457 802 N N 0.991 119.614 118.700 -0.128 0.000 2.260 802 N HA -0.024 4.716 4.740 -0.000 0.000 0.230 802 N C -0.160 175.227 175.510 -0.205 0.000 1.323 802 N CA 0.709 53.686 53.050 -0.122 0.000 0.897 802 N CB 0.811 39.237 38.487 -0.101 0.000 1.146 802 N HN 0.108 nan 8.380 nan 0.000 0.460 803 S N -1.154 114.450 115.700 -0.160 0.000 2.664 803 S HA 0.334 4.804 4.470 -0.000 0.000 0.304 803 S C 0.695 175.193 174.600 -0.170 0.000 1.099 803 S CA -0.757 57.332 58.200 -0.185 0.000 1.003 803 S CB 0.558 63.718 63.200 -0.067 0.000 1.092 803 S HN 0.521 nan 8.310 nan 0.000 0.525 804 Y N -0.025 120.242 120.300 -0.054 0.000 2.556 804 Y HA -0.083 4.466 4.550 -0.000 0.000 0.290 804 Y C 1.977 177.867 175.900 -0.016 0.000 1.149 804 Y CA 0.640 58.720 58.100 -0.033 0.000 1.329 804 Y CB -0.139 38.305 38.460 -0.027 0.000 0.975 804 Y HN 0.597 nan 8.280 nan 0.000 0.561 805 L N 0.075 121.363 121.223 0.107 0.000 2.068 805 L HA -0.059 4.281 4.340 -0.000 0.000 0.204 805 L C 2.209 179.101 176.870 0.036 0.000 1.076 805 L CA 1.526 56.405 54.840 0.065 0.000 0.753 805 L CB -0.409 41.677 42.059 0.045 0.000 0.910 805 L HN -0.049 nan 8.230 nan 0.000 0.439 806 R N 0.002 120.509 120.500 0.012 0.000 2.062 806 R HA 0.244 4.584 4.340 -0.000 0.000 0.229 806 R C 0.293 176.592 176.300 -0.003 0.000 1.128 806 R CA 0.780 56.879 56.100 -0.002 0.000 0.960 806 R CB -0.450 29.839 30.300 -0.018 0.000 0.855 806 R HN 0.514 nan 8.270 nan 0.000 0.432 807 G N 0.591 109.383 108.800 -0.012 0.000 3.367 807 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.686 807 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.686 807 G C -0.789 174.096 174.900 -0.024 0.000 1.146 807 G CA -1.060 44.039 45.100 -0.001 0.000 0.913 807 G HN -0.017 nan 8.290 nan 0.000 0.554 808 L N 1.198 122.412 121.223 -0.015 0.000 2.453 808 L HA 0.570 4.910 4.340 -0.000 0.000 0.274 808 L C 1.846 178.723 176.870 0.011 0.000 1.270 808 L CA 1.069 55.905 54.840 -0.006 0.000 0.822 808 L CB 0.270 42.380 42.059 0.086 0.000 1.091 808 L HN 1.127 nan 8.230 nan 0.000 0.546 809 T N -2.804 111.760 114.554 0.017 0.000 2.940 809 T HA 0.488 4.837 4.350 -0.000 0.000 0.288 809 T C -2.027 172.692 174.700 0.032 0.000 1.033 809 T CA -1.944 60.162 62.100 0.009 0.000 1.033 809 T CB 1.728 70.603 68.868 0.012 0.000 1.079 809 T HN 0.349 nan 8.240 nan 0.000 0.496 810 P HA -0.246 nan 4.420 nan 0.000 0.218 810 P C 1.474 178.781 177.300 0.011 0.000 1.165 810 P CA 1.691 64.822 63.100 0.051 0.000 0.922 810 P CB 0.005 31.722 31.700 0.029 0.000 0.794 811 Q N -0.464 119.243 119.800 -0.155 0.000 2.002 811 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 811 Q C 2.177 177.720 176.000 -0.761 0.000 0.988 811 Q CA 1.669 57.157 55.803 -0.526 0.000 0.843 811 Q CB -0.903 27.604 28.738 -0.385 0.000 0.908 811 Q HN 0.415 nan 8.270 nan 0.000 0.420 812 E N 0.160 120.155 120.200 -0.341 0.000 2.033 812 E HA -0.246 4.104 4.350 -0.000 0.000 0.199 812 E C 1.865 178.442 176.600 -0.038 0.000 1.011 812 E CA 1.284 57.578 56.400 -0.177 0.000 0.815 812 E CB -0.453 29.216 29.700 -0.051 0.000 0.755 812 E HN 0.257 nan 8.360 nan 0.000 0.451 813 F N 1.241 121.143 119.950 -0.080 0.000 2.063 813 F HA -0.317 4.210 4.527 -0.000 0.000 0.298 813 F C 2.189 178.049 175.800 0.100 0.000 1.105 813 F CA 1.841 59.862 58.000 0.036 0.000 1.215 813 F CB -0.609 38.413 39.000 0.038 0.000 0.972 813 F HN -0.024 nan 8.300 nan 0.000 0.483 814 F N 0.121 120.009 119.950 -0.104 0.000 2.069 814 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 814 F C 2.279 178.089 175.800 0.016 0.000 1.113 814 F CA 1.980 59.901 58.000 -0.131 0.000 1.214 814 F CB -0.856 38.122 39.000 -0.036 0.000 0.978 814 F HN 0.044 nan 8.300 nan 0.000 0.474 815 F N -1.006 119.077 119.950 0.222 0.000 2.065 815 F HA -0.356 4.171 4.527 -0.000 0.000 0.298 815 F C 2.634 178.430 175.800 -0.006 0.000 1.112 815 F CA 1.213 59.285 58.000 0.119 0.000 1.212 815 F CB -1.097 37.995 39.000 0.153 0.000 0.975 815 F HN 0.092 nan 8.300 nan 0.000 0.476 816 H N 0.597 119.710 119.070 0.072 0.000 2.394 816 H HA -0.191 4.365 4.556 -0.000 0.000 0.297 816 H C 1.884 177.116 175.328 -0.160 0.000 1.113 816 H CA 1.248 57.266 56.048 -0.051 0.000 1.277 816 H CB -0.481 29.237 29.762 -0.073 0.000 1.370 816 H HN 0.243 nan 8.280 nan 0.000 0.506 817 A N 0.501 123.115 122.820 -0.344 0.000 1.823 817 A HA -0.203 4.117 4.320 -0.000 0.000 0.214 817 A C 2.532 179.892 177.584 -0.373 0.000 1.227 817 A CA 1.879 53.619 52.037 -0.496 0.000 0.616 817 A CB -1.087 17.501 19.000 -0.687 0.000 0.874 817 A HN 0.500 nan 8.150 nan 0.000 0.455 818 M N -0.509 118.853 119.600 -0.396 0.000 2.191 818 M HA -0.317 4.163 4.480 -0.000 0.000 0.246 818 M C 2.041 178.241 176.300 -0.166 0.000 1.085 818 M CA 1.992 57.135 55.300 -0.261 0.000 1.063 818 M CB -0.947 31.562 32.600 -0.152 0.000 1.336 818 M HN 0.613 nan 8.290 nan 0.000 0.398 819 G N -0.918 107.805 108.800 -0.129 0.000 2.404 819 G HA2 0.001 3.961 3.960 -0.000 0.000 0.214 819 G HA3 0.001 3.961 3.960 -0.000 0.000 0.214 819 G C 1.486 176.304 174.900 -0.137 0.000 1.189 819 G CA 0.788 45.833 45.100 -0.093 0.000 0.789 819 G HN 0.579 nan 8.290 nan 0.000 0.533 820 G N 0.938 109.594 108.800 -0.239 0.000 2.418 820 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 820 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 820 G C 1.851 176.635 174.900 -0.193 0.000 1.158 820 G CA 1.288 46.232 45.100 -0.260 0.000 0.771 820 G HN 0.512 nan 8.290 nan 0.000 0.545 821 R N 1.122 121.496 120.500 -0.210 0.000 2.139 821 R HA -0.127 4.213 4.340 -0.000 0.000 0.243 821 R C 2.171 178.399 176.300 -0.121 0.000 1.145 821 R CA 2.143 58.142 56.100 -0.168 0.000 0.976 821 R CB -0.711 29.476 30.300 -0.190 0.000 0.866 821 R HN 0.533 nan 8.270 nan 0.000 0.449 822 E N -0.798 119.336 120.200 -0.110 0.000 2.077 822 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 822 E C 1.763 178.322 176.600 -0.069 0.000 0.989 822 E CA 1.363 57.716 56.400 -0.080 0.000 0.800 822 E CB -0.500 29.159 29.700 -0.068 0.000 0.746 822 E HN 0.540 nan 8.360 nan 0.000 0.452 823 G N 1.774 110.530 108.800 -0.074 0.000 2.587 823 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.217 823 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.217 823 G C 1.575 176.439 174.900 -0.059 0.000 1.240 823 G CA 1.090 46.153 45.100 -0.061 0.000 0.794 823 G HN 0.284 nan 8.290 nan 0.000 0.580 824 L N 0.177 121.357 121.223 -0.071 0.000 2.230 824 L HA -0.205 4.135 4.340 -0.000 0.000 0.217 824 L C 2.705 179.543 176.870 -0.053 0.000 1.090 824 L CA 0.713 55.515 54.840 -0.063 0.000 0.771 824 L CB -0.382 41.632 42.059 -0.074 0.000 0.892 824 L HN 0.312 nan 8.230 nan 0.000 0.438 825 I N -0.214 120.323 120.570 -0.055 0.000 2.330 825 I HA -0.219 3.951 4.170 -0.000 0.000 0.229 825 I C 2.245 178.340 176.117 -0.037 0.000 1.063 825 I CA 1.205 62.478 61.300 -0.045 0.000 1.367 825 I CB -0.528 37.444 38.000 -0.048 0.000 1.158 825 I HN 0.294 nan 8.210 nan 0.000 0.411 826 D N 0.217 120.596 120.400 -0.035 0.000 2.172 826 D HA -0.242 4.398 4.640 -0.000 0.000 0.196 826 D C 1.860 178.144 176.300 -0.026 0.000 0.999 826 D CA 2.046 56.030 54.000 -0.028 0.000 0.856 826 D CB -1.285 39.499 40.800 -0.027 0.000 0.934 826 D HN 0.197 nan 8.370 nan 0.000 0.453 827 T N -0.281 114.254 114.554 -0.031 0.000 2.685 827 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 827 T C 1.681 176.366 174.700 -0.025 0.000 1.034 827 T CA 2.011 64.094 62.100 -0.029 0.000 1.149 827 T CB -0.527 68.321 68.868 -0.033 0.000 0.860 827 T HN 0.476 nan 8.240 nan 0.000 0.449 828 A N -0.040 122.765 122.820 -0.026 0.000 2.359 828 A HA 0.431 4.751 4.320 -0.000 0.000 0.240 828 A C 1.642 179.214 177.584 -0.019 0.000 1.306 828 A CA 0.063 52.086 52.037 -0.023 0.000 0.898 828 A CB -0.021 18.964 19.000 -0.025 0.000 0.956 828 A HN 0.370 nan 8.150 nan 0.000 0.497 829 V N -1.705 118.199 119.914 -0.017 0.000 3.103 829 V HA 0.061 4.181 4.120 -0.000 0.000 0.229 829 V C 1.673 177.763 176.094 -0.007 0.000 1.304 829 V CA 0.767 63.059 62.300 -0.012 0.000 1.298 829 V CB -0.075 31.739 31.823 -0.014 0.000 1.093 829 V HN 0.284 nan 8.190 nan 0.000 0.489 830 K N 0.480 120.874 120.400 -0.010 0.000 2.616 830 K HA 0.003 4.323 4.320 -0.000 0.000 0.192 830 K C 1.688 178.283 176.600 -0.009 0.000 1.031 830 K CA 1.062 57.344 56.287 -0.009 0.000 1.004 830 K CB -0.238 32.253 32.500 -0.015 0.000 0.810 830 K HN 0.397 nan 8.250 nan 0.000 0.497 831 T N -1.544 113.005 114.554 -0.009 0.000 3.038 831 T HA 0.226 4.576 4.350 -0.000 0.000 0.244 831 T C 1.552 176.252 174.700 0.001 0.000 1.016 831 T CA 0.578 62.673 62.100 -0.009 0.000 1.098 831 T CB 0.190 69.049 68.868 -0.014 0.000 0.954 831 T HN 0.201 nan 8.240 nan 0.000 0.469 832 A N 0.979 123.801 122.820 0.003 0.000 1.874 832 A HA 0.096 4.416 4.320 -0.000 0.000 0.214 832 A C 2.027 179.632 177.584 0.034 0.000 1.189 832 A CA 1.482 53.525 52.037 0.010 0.000 0.615 832 A CB -0.469 18.530 19.000 -0.003 0.000 0.830 832 A HN 0.519 nan 8.150 nan 0.000 0.443 833 E N -1.018 119.203 120.200 0.035 0.000 2.152 833 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 833 E C 1.968 178.621 176.600 0.088 0.000 0.983 833 E CA 1.296 57.739 56.400 0.070 0.000 0.818 833 E CB -0.066 29.664 29.700 0.050 0.000 0.758 833 E HN 0.527 nan 8.360 nan 0.000 0.467 834 T N -0.523 114.057 114.554 0.042 0.000 2.684 834 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 834 T C 1.692 176.408 174.700 0.028 0.000 1.036 834 T CA 1.306 63.418 62.100 0.020 0.000 1.148 834 T CB -0.641 68.223 68.868 -0.007 0.000 0.863 834 T HN 0.430 nan 8.240 nan 0.000 0.436 835 G N -0.223 108.601 108.800 0.038 0.000 2.505 835 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 835 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 835 G C 1.363 176.316 174.900 0.088 0.000 1.145 835 G CA 1.223 46.349 45.100 0.043 0.000 0.761 835 G HN 0.530 nan 8.290 nan 0.000 0.571 836 Y N 1.248 121.541 120.300 -0.012 0.000 2.109 836 Y HA -0.025 4.525 4.550 -0.000 0.000 0.285 836 Y C 2.733 178.628 175.900 -0.008 0.000 1.131 836 Y CA 1.105 59.206 58.100 0.002 0.000 1.121 836 Y CB -0.581 37.894 38.460 0.023 0.000 0.987 836 Y HN 0.184 nan 8.280 nan 0.000 0.495 837 I N 0.231 120.772 120.570 -0.048 0.000 2.091 837 I HA -0.456 3.714 4.170 -0.000 0.000 0.240 837 I C 2.687 178.703 176.117 -0.169 0.000 1.046 837 I CA 2.012 63.228 61.300 -0.140 0.000 1.306 837 I CB -0.659 37.316 38.000 -0.043 0.000 1.018 837 I HN 0.342 nan 8.210 nan 0.000 0.404 838 Q N 0.837 120.571 119.800 -0.110 0.000 2.096 838 Q HA -0.285 4.055 4.340 -0.000 0.000 0.208 838 Q C 2.326 178.233 176.000 -0.155 0.000 0.993 838 Q CA 2.002 57.733 55.803 -0.120 0.000 0.862 838 Q CB -0.275 28.409 28.738 -0.090 0.000 0.915 838 Q HN 0.465 nan 8.270 nan 0.000 0.416 839 R N -0.152 120.253 120.500 -0.159 0.000 2.062 839 R HA -0.116 4.223 4.340 -0.000 0.000 0.231 839 R C 2.422 178.540 176.300 -0.302 0.000 1.136 839 R CA 1.299 57.287 56.100 -0.187 0.000 0.948 839 R CB -0.033 30.196 30.300 -0.118 0.000 0.845 839 R HN 0.152 nan 8.270 nan 0.000 0.430 840 R N 0.621 120.870 120.500 -0.418 0.000 2.132 840 R HA -0.186 4.154 4.340 -0.000 0.000 0.233 840 R C 2.463 178.553 176.300 -0.351 0.000 1.125 840 R CA 2.203 58.033 56.100 -0.450 0.000 0.914 840 R CB -0.998 29.053 30.300 -0.414 0.000 0.845 840 R HN 0.210 nan 8.270 nan 0.000 0.431 841 L N 0.311 121.367 121.223 -0.279 0.000 2.119 841 L HA -0.380 3.960 4.340 -0.000 0.000 0.226 841 L C 2.413 179.115 176.870 -0.280 0.000 1.093 841 L CA 1.732 56.421 54.840 -0.251 0.000 0.806 841 L CB -0.720 41.229 42.059 -0.183 0.000 0.902 841 L HN 0.166 nan 8.230 nan 0.000 0.444 842 V N -0.895 118.870 119.914 -0.249 0.000 2.229 842 V HA -0.257 3.863 4.120 -0.000 0.000 0.243 842 V C 2.479 178.420 176.094 -0.255 0.000 1.042 842 V CA 1.640 63.807 62.300 -0.221 0.000 1.000 842 V CB -0.514 31.204 31.823 -0.175 0.000 0.637 842 V HN 0.359 nan 8.190 nan 0.000 0.446 843 K N 0.288 120.518 120.400 -0.284 0.000 2.218 843 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 843 K C 2.070 178.471 176.600 -0.331 0.000 1.046 843 K CA 1.587 57.727 56.287 -0.245 0.000 0.933 843 K CB -0.734 31.568 32.500 -0.329 0.000 0.728 843 K HN 0.520 nan 8.250 nan 0.000 0.454 844 A N 0.156 122.566 122.820 -0.683 0.000 2.119 844 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 844 A C 1.680 178.916 177.584 -0.579 0.000 1.152 844 A CA 0.770 52.076 52.037 -1.219 0.000 0.708 844 A CB -0.047 18.128 19.000 -1.374 0.000 0.805 844 A HN 0.261 nan 8.150 nan 0.000 0.460 845 L N -1.891 119.123 121.223 -0.347 0.000 3.135 845 L HA 0.196 4.536 4.340 -0.000 0.000 0.279 845 L C 1.250 178.033 176.870 -0.146 0.000 1.200 845 L CA -0.133 54.580 54.840 -0.212 0.000 1.016 845 L CB -0.314 41.640 42.059 -0.174 0.000 1.391 845 L HN 0.237 nan 8.230 nan 0.000 0.588 846 E N 2.120 122.235 120.200 -0.141 0.000 2.041 846 E HA -0.333 4.017 4.350 -0.000 0.000 0.227 846 E C 1.333 177.883 176.600 -0.083 0.000 1.039 846 E CA 2.289 58.629 56.400 -0.101 0.000 0.904 846 E CB -0.407 29.248 29.700 -0.075 0.000 0.808 846 E HN 0.614 nan 8.360 nan 0.000 0.510 847 D N 1.165 121.530 120.400 -0.058 0.000 2.311 847 D HA -0.210 4.430 4.640 -0.000 0.000 0.204 847 D C 0.643 176.921 176.300 -0.037 0.000 1.000 847 D CA 1.069 55.049 54.000 -0.034 0.000 0.910 847 D CB -0.731 40.066 40.800 -0.005 0.000 0.900 847 D HN 0.226 nan 8.370 nan 0.000 0.463 848 I N 0.875 121.411 120.570 -0.057 0.000 2.496 848 I HA 0.210 4.380 4.170 -0.000 0.000 0.285 848 I C 0.651 176.706 176.117 -0.104 0.000 1.080 848 I CA -0.246 61.020 61.300 -0.056 0.000 1.404 848 I CB 0.467 38.435 38.000 -0.053 0.000 1.403 848 I HN 0.116 nan 8.210 nan 0.000 0.539 849 M N 4.677 124.195 119.600 -0.136 0.000 2.880 849 M HA 0.558 5.038 4.480 -0.000 0.000 0.269 849 M C -1.845 174.300 176.300 -0.259 0.000 1.248 849 M CA -0.929 54.230 55.300 -0.235 0.000 0.821 849 M CB 2.054 34.471 32.600 -0.305 0.000 1.650 849 M HN 0.054 nan 8.290 nan 0.000 0.479 850 V N 2.558 122.299 119.914 -0.288 0.000 2.406 850 V HA 0.354 4.474 4.120 -0.000 0.000 0.272 850 V C -0.162 175.762 176.094 -0.284 0.000 1.043 850 V CA -0.229 61.953 62.300 -0.196 0.000 0.915 850 V CB 0.568 32.291 31.823 -0.166 0.000 0.988 850 V HN 0.674 nan 8.190 nan 0.000 0.466 851 H N 3.802 122.837 119.070 -0.060 0.000 2.488 851 H HA 0.202 4.757 4.556 -0.000 0.000 0.347 851 H C 0.658 175.979 175.328 -0.011 0.000 1.174 851 H CA -0.192 55.817 56.048 -0.064 0.000 1.307 851 H CB 1.100 30.862 29.762 0.000 0.000 1.517 851 H HN 0.655 nan 8.280 nan 0.000 0.554 852 Y N 0.788 121.204 120.300 0.193 0.000 2.219 852 Y HA -0.330 4.220 4.550 -0.000 0.000 0.283 852 Y C 2.068 178.029 175.900 0.103 0.000 1.191 852 Y CA 1.489 59.663 58.100 0.125 0.000 1.199 852 Y CB 0.145 38.676 38.460 0.118 0.000 0.972 852 Y HN 0.684 nan 8.280 nan 0.000 0.527 853 D N -1.696 118.866 120.400 0.269 0.000 2.363 853 D HA -0.155 4.485 4.640 -0.000 0.000 0.220 853 D C 0.333 176.731 176.300 0.164 0.000 0.994 853 D CA 0.769 54.880 54.000 0.185 0.000 0.890 853 D CB -0.379 40.512 40.800 0.152 0.000 0.906 853 D HN 0.206 nan 8.370 nan 0.000 0.530 854 N N -1.076 117.726 118.700 0.169 0.000 2.921 854 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 854 N C -0.958 174.645 175.510 0.156 0.000 1.118 854 N CA 0.993 54.129 53.050 0.143 0.000 0.740 854 N CB -1.517 37.046 38.487 0.126 0.000 1.091 854 N HN 0.404 nan 8.380 nan 0.000 0.553 855 T N -0.534 114.118 114.554 0.164 0.000 2.950 855 T HA 0.513 4.862 4.350 -0.000 0.000 0.288 855 T C -0.249 174.528 174.700 0.129 0.000 1.035 855 T CA 0.082 62.275 62.100 0.154 0.000 1.028 855 T CB 1.396 70.355 68.868 0.151 0.000 1.109 855 T HN 0.043 nan 8.240 nan 0.000 0.514 856 T N 4.154 118.756 114.554 0.080 0.000 2.821 856 T HA 0.534 4.884 4.350 -0.000 0.000 0.307 856 T C -0.298 174.425 174.700 0.038 0.000 1.034 856 T CA -0.524 61.618 62.100 0.070 0.000 0.953 856 T CB 0.287 69.209 68.868 0.090 0.000 0.968 856 T HN 0.467 nan 8.240 nan 0.000 0.462 857 R N 2.141 122.713 120.500 0.120 0.000 2.912 857 R HA 0.555 4.895 4.340 -0.000 0.000 0.262 857 R C 0.506 176.866 176.300 0.100 0.000 1.057 857 R CA -1.096 55.058 56.100 0.090 0.000 0.981 857 R CB 1.673 32.021 30.300 0.079 0.000 1.201 857 R HN 0.707 nan 8.270 nan 0.000 0.484 858 N N -1.394 117.339 118.700 0.055 0.000 2.786 858 N HA 0.094 4.834 4.740 -0.000 0.000 0.315 858 N C 0.473 176.026 175.510 0.071 0.000 1.359 858 N CA -0.514 52.564 53.050 0.047 0.000 0.846 858 N CB 0.418 38.915 38.487 0.016 0.000 1.117 858 N HN 0.436 nan 8.380 nan 0.000 0.541 859 S N -0.715 115.013 115.700 0.046 0.000 2.522 859 S HA 0.077 4.547 4.470 -0.000 0.000 0.227 859 S C 1.788 176.406 174.600 0.030 0.000 0.986 859 S CA 0.112 58.339 58.200 0.045 0.000 0.929 859 S CB -0.510 62.712 63.200 0.037 0.000 0.769 859 S HN 0.427 nan 8.310 nan 0.000 0.529 860 L N 0.503 121.739 121.223 0.023 0.000 2.130 860 L HA 0.357 4.697 4.340 -0.000 0.000 0.200 860 L C 2.171 179.036 176.870 -0.009 0.000 1.075 860 L CA 1.037 55.884 54.840 0.013 0.000 0.768 860 L CB -0.480 41.591 42.059 0.019 0.000 0.933 860 L HN 0.578 nan 8.230 nan 0.000 0.451 861 G N -1.440 107.348 108.800 -0.021 0.000 2.902 861 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.215 861 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.215 861 G C -0.302 174.573 174.900 -0.041 0.000 0.976 861 G CA -0.645 44.421 45.100 -0.057 0.000 0.794 861 G HN 0.223 nan 8.290 nan 0.000 0.557 862 N N 1.504 120.191 118.700 -0.023 0.000 2.414 862 N HA 0.339 5.079 4.740 -0.000 0.000 0.268 862 N C 0.656 176.124 175.510 -0.071 0.000 1.286 862 N CA 0.224 53.255 53.050 -0.031 0.000 0.896 862 N CB 1.316 39.795 38.487 -0.013 0.000 1.093 862 N HN 0.191 nan 8.380 nan 0.000 0.480 863 V N 3.295 123.131 119.914 -0.130 0.000 2.872 863 V HA 0.020 4.140 4.120 -0.000 0.000 0.307 863 V C 1.536 177.463 176.094 -0.279 0.000 1.072 863 V CA 0.472 62.605 62.300 -0.277 0.000 1.148 863 V CB 0.491 31.954 31.823 -0.601 0.000 0.954 863 V HN 0.643 nan 8.190 nan 0.000 0.490 864 I N 1.403 121.821 120.570 -0.253 0.000 4.228 864 I HA 0.205 4.375 4.170 -0.000 0.000 0.298 864 I C 0.523 176.535 176.117 -0.175 0.000 1.206 864 I CA 0.252 61.457 61.300 -0.158 0.000 1.322 864 I CB 0.500 38.461 38.000 -0.066 0.000 1.411 864 I HN 0.548 nan 8.210 nan 0.000 0.454 865 Q N -0.091 119.604 119.800 -0.175 0.000 2.331 865 Q HA 0.383 4.723 4.340 -0.000 0.000 0.272 865 Q C -0.698 175.230 176.000 -0.119 0.000 1.062 865 Q CA -0.527 55.228 55.803 -0.080 0.000 0.806 865 Q CB 2.549 31.321 28.738 0.058 0.000 1.312 865 Q HN 0.093 nan 8.270 nan 0.000 0.431 866 F N 1.211 121.203 119.950 0.070 0.000 2.780 866 F HA 0.224 4.751 4.527 -0.000 0.000 0.299 866 F C 0.380 176.225 175.800 0.076 0.000 1.146 866 F CA 0.519 58.560 58.000 0.067 0.000 1.428 866 F CB 0.641 39.672 39.000 0.050 0.000 1.115 866 F HN 0.335 nan 8.300 nan 0.000 0.583 867 I N -1.226 119.478 120.570 0.224 0.000 2.637 867 I HA 0.045 4.215 4.170 -0.000 0.000 0.285 867 I C -1.033 175.178 176.117 0.156 0.000 1.222 867 I CA -0.993 60.411 61.300 0.173 0.000 1.067 867 I CB 0.840 38.922 38.000 0.136 0.000 1.279 867 I HN -0.226 nan 8.210 nan 0.000 0.441 868 Y N 6.721 127.057 120.300 0.060 0.000 2.916 868 Y HA 0.205 4.755 4.550 -0.000 0.000 0.344 868 Y C 1.411 177.345 175.900 0.058 0.000 1.282 868 Y CA 1.372 59.501 58.100 0.048 0.000 1.604 868 Y CB 0.162 38.642 38.460 0.033 0.000 1.207 868 Y HN 0.893 nan 8.280 nan 0.000 0.561 869 G N 4.570 113.093 108.800 -0.461 0.000 2.179 869 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.257 869 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.257 869 G C 0.362 175.189 174.900 -0.122 0.000 1.010 869 G CA 0.454 45.307 45.100 -0.411 0.000 0.736 869 G HN 0.971 nan 8.290 nan 0.000 0.513 870 E N -1.351 118.836 120.200 -0.023 0.000 2.883 870 E HA -0.296 4.054 4.350 -0.000 0.000 0.271 870 E C 1.048 177.633 176.600 -0.025 0.000 1.049 870 E CA 1.410 57.817 56.400 0.011 0.000 0.817 870 E CB -0.574 29.139 29.700 0.020 0.000 1.407 870 E HN 0.949 nan 8.360 nan 0.000 0.434 871 D N -2.785 117.590 120.400 -0.042 0.000 2.310 871 D HA 0.041 4.681 4.640 -0.000 0.000 0.470 871 D C 1.060 177.343 176.300 -0.028 0.000 1.038 871 D CA 0.673 54.653 54.000 -0.033 0.000 1.012 871 D CB -0.563 40.198 40.800 -0.065 0.000 1.458 871 D HN 0.353 nan 8.370 nan 0.000 0.457 872 G N 1.177 109.966 108.800 -0.018 0.000 2.168 872 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.257 872 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.257 872 G C -0.043 174.857 174.900 -0.000 0.000 0.997 872 G CA 0.864 45.987 45.100 0.038 0.000 0.708 872 G HN 0.394 nan 8.290 nan 0.000 0.520 873 M N 0.823 120.393 119.600 -0.050 0.000 2.363 873 M HA 0.490 4.970 4.480 -0.000 0.000 0.343 873 M C -0.110 176.244 176.300 0.091 0.000 1.165 873 M CA -1.514 53.744 55.300 -0.069 0.000 1.046 873 M CB 1.452 33.967 32.600 -0.142 0.000 1.648 873 M HN 0.136 nan 8.290 nan 0.000 0.452 874 D N 2.782 123.270 120.400 0.148 0.000 2.336 874 D HA 0.348 4.988 4.640 -0.000 0.000 0.249 874 D C 0.983 177.409 176.300 0.210 0.000 1.213 874 D CA 0.320 54.480 54.000 0.267 0.000 0.870 874 D CB 0.889 41.874 40.800 0.309 0.000 1.076 874 D HN 0.715 nan 8.370 nan 0.000 0.483 875 A N 4.652 127.588 122.820 0.194 0.000 1.984 875 A HA -0.316 4.004 4.320 -0.000 0.000 0.224 875 A C 2.212 179.835 177.584 0.064 0.000 1.256 875 A CA 2.729 54.831 52.037 0.108 0.000 0.679 875 A CB -1.051 18.029 19.000 0.133 0.000 0.829 875 A HN 0.761 nan 8.150 nan 0.000 0.483 876 A N -1.261 121.570 122.820 0.019 0.000 1.948 876 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 876 A C 1.356 178.813 177.584 -0.212 0.000 1.177 876 A CA 1.409 53.365 52.037 -0.136 0.000 0.636 876 A CB -0.773 18.064 19.000 -0.271 0.000 0.815 876 A HN 0.730 nan 8.150 nan 0.000 0.449 877 H N -0.586 118.505 119.070 0.035 0.000 2.745 877 H HA 0.563 5.119 4.556 -0.000 0.000 0.235 877 H C -0.896 174.430 175.328 -0.003 0.000 1.815 877 H CA 0.098 56.148 56.048 0.004 0.000 1.321 877 H CB -0.508 29.222 29.762 -0.053 0.000 1.716 877 H HN 0.342 nan 8.280 nan 0.000 0.546 878 I N 1.320 121.957 120.570 0.113 0.000 2.787 878 I HA 0.196 4.366 4.170 -0.000 0.000 0.294 878 I C -0.767 175.445 176.117 0.160 0.000 1.365 878 I CA -0.668 60.697 61.300 0.109 0.000 1.029 878 I CB 2.923 40.982 38.000 0.098 0.000 1.313 878 I HN 0.259 nan 8.210 nan 0.000 0.431 879 E N 3.421 123.709 120.200 0.145 0.000 2.413 879 E HA 0.420 4.770 4.350 -0.000 0.000 0.277 879 E C -1.499 175.182 176.600 0.134 0.000 0.958 879 E CA -1.248 55.257 56.400 0.175 0.000 0.779 879 E CB 2.571 32.337 29.700 0.110 0.000 1.278 879 E HN 0.340 nan 8.360 nan 0.000 0.456 880 K N 2.031 122.502 120.400 0.117 0.000 2.349 880 K HA 0.118 4.438 4.320 -0.000 0.000 0.289 880 K C -0.269 176.354 176.600 0.038 0.000 1.064 880 K CA 0.233 56.551 56.287 0.052 0.000 0.947 880 K CB 0.509 33.007 32.500 -0.003 0.000 1.007 880 K HN 0.325 nan 8.250 nan 0.000 0.478 881 Q N 0.659 120.487 119.800 0.046 0.000 2.486 881 Q HA 0.381 4.721 4.340 -0.000 0.000 0.274 881 Q C -0.619 175.394 176.000 0.021 0.000 1.076 881 Q CA -1.004 54.827 55.803 0.046 0.000 0.872 881 Q CB 2.039 30.829 28.738 0.087 0.000 1.383 881 Q HN 0.636 nan 8.270 nan 0.000 0.478 882 S N -0.119 115.595 115.700 0.024 0.000 2.502 882 S HA 0.522 4.992 4.470 -0.000 0.000 0.304 882 S C -0.465 174.158 174.600 0.039 0.000 1.097 882 S CA -0.816 57.391 58.200 0.011 0.000 1.045 882 S CB 0.536 63.732 63.200 -0.008 0.000 1.019 882 S HN 0.502 nan 8.310 nan 0.000 0.481 883 L N 3.571 124.818 121.223 0.040 0.000 2.422 883 L HA 0.273 4.613 4.340 -0.000 0.000 0.256 883 L C 0.800 177.698 176.870 0.046 0.000 1.202 883 L CA -0.499 54.367 54.840 0.042 0.000 1.119 883 L CB -0.282 41.792 42.059 0.025 0.000 1.383 883 L HN 0.789 nan 8.230 nan 0.000 0.411 884 D N 0.488 120.933 120.400 0.074 0.000 2.170 884 D HA -0.215 4.425 4.640 -0.000 0.000 0.193 884 D C 1.683 178.041 176.300 0.097 0.000 1.004 884 D CA 1.824 55.887 54.000 0.105 0.000 0.860 884 D CB 0.149 41.056 40.800 0.180 0.000 0.931 884 D HN 0.480 nan 8.370 nan 0.000 0.448 885 T N 1.304 115.896 114.554 0.063 0.000 2.760 885 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 885 T C 2.082 176.804 174.700 0.036 0.000 1.047 885 T CA 0.604 62.713 62.100 0.016 0.000 1.139 885 T CB -0.096 68.764 68.868 -0.013 0.000 0.855 885 T HN 0.219 nan 8.240 nan 0.000 0.471 886 I N 0.113 120.702 120.570 0.031 0.000 2.130 886 I HA 0.057 4.227 4.170 -0.000 0.000 0.234 886 I C 1.750 177.890 176.117 0.039 0.000 1.067 886 I CA 0.526 61.842 61.300 0.026 0.000 1.339 886 I CB -0.685 37.325 38.000 0.017 0.000 1.073 886 I HN 0.245 nan 8.210 nan 0.000 0.405 887 G N 0.214 109.023 108.800 0.015 0.000 2.467 887 G HA2 0.452 4.412 3.960 -0.000 0.000 0.257 887 G HA3 0.452 4.412 3.960 -0.000 0.000 0.257 887 G C -0.226 174.725 174.900 0.086 0.000 1.227 887 G CA 0.498 45.615 45.100 0.028 0.000 0.835 887 G HN 0.668 nan 8.290 nan 0.000 0.556 888 G N -0.185 108.683 108.800 0.113 0.000 2.764 888 G HA2 0.400 4.360 3.960 -0.000 0.000 0.678 888 G HA3 0.400 4.360 3.960 -0.000 0.000 0.678 888 G C -0.025 174.941 174.900 0.110 0.000 1.341 888 G CA -0.076 45.093 45.100 0.114 0.000 0.836 888 G HN 1.837 nan 8.290 nan 0.000 0.632 889 S N 0.853 116.611 115.700 0.096 0.000 2.566 889 S HA 0.206 4.676 4.470 -0.000 0.000 0.280 889 S C 1.051 175.699 174.600 0.080 0.000 1.343 889 S CA 0.630 58.874 58.200 0.072 0.000 1.036 889 S CB 1.364 64.603 63.200 0.065 0.000 0.866 889 S HN 0.593 nan 8.310 nan 0.000 0.526 890 D N 1.728 122.150 120.400 0.037 0.000 2.221 890 D HA -0.127 4.513 4.640 -0.000 0.000 0.204 890 D C 2.017 178.397 176.300 0.134 0.000 0.982 890 D CA 1.494 55.514 54.000 0.032 0.000 0.857 890 D CB -0.369 40.428 40.800 -0.005 0.000 0.934 890 D HN 0.725 nan 8.370 nan 0.000 0.475 891 A N 1.391 124.278 122.820 0.113 0.000 1.828 891 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 891 A C 2.433 180.108 177.584 0.153 0.000 1.203 891 A CA 2.305 54.415 52.037 0.121 0.000 0.614 891 A CB -1.075 17.974 19.000 0.081 0.000 0.844 891 A HN 0.224 nan 8.150 nan 0.000 0.445 892 A N -1.250 121.653 122.820 0.138 0.000 1.940 892 A HA -0.216 4.103 4.320 -0.000 0.000 0.221 892 A C 2.058 179.763 177.584 0.200 0.000 1.190 892 A CA 2.082 54.202 52.037 0.137 0.000 0.647 892 A CB -0.956 18.118 19.000 0.123 0.000 0.821 892 A HN 0.759 nan 8.150 nan 0.000 0.457 893 F N 0.469 120.469 119.950 0.083 0.000 2.063 893 F HA -0.266 4.261 4.527 -0.000 0.000 0.298 893 F C 2.275 178.193 175.800 0.197 0.000 1.109 893 F CA 2.531 60.586 58.000 0.091 0.000 1.212 893 F CB -0.419 38.578 39.000 -0.006 0.000 0.973 893 F HN 0.454 nan 8.300 nan 0.000 0.480 894 E N 0.179 120.589 120.200 0.351 0.000 2.012 894 E HA -0.328 4.021 4.350 -0.000 0.000 0.197 894 E C 2.287 178.943 176.600 0.093 0.000 1.007 894 E CA 1.621 58.188 56.400 0.278 0.000 0.816 894 E CB -0.361 29.486 29.700 0.245 0.000 0.762 894 E HN 0.354 nan 8.360 nan 0.000 0.451 895 K N 0.317 120.742 120.400 0.042 0.000 2.362 895 K HA -0.223 4.097 4.320 -0.000 0.000 0.202 895 K C 2.089 178.657 176.600 -0.053 0.000 1.045 895 K CA 1.261 57.521 56.287 -0.046 0.000 0.936 895 K CB 0.033 32.517 32.500 -0.027 0.000 0.747 895 K HN -0.018 nan 8.250 nan 0.000 0.467 896 R N -1.421 119.077 120.500 -0.004 0.000 2.140 896 R HA 0.022 4.362 4.340 -0.000 0.000 0.200 896 R C 1.143 177.343 176.300 -0.167 0.000 1.069 896 R CA 0.430 56.487 56.100 -0.071 0.000 1.088 896 R CB 0.169 30.478 30.300 0.016 0.000 1.012 896 R HN 0.149 nan 8.270 nan 0.000 0.500 897 Y N 0.009 120.162 120.300 -0.244 0.000 2.458 897 Y HA 0.273 4.823 4.550 -0.000 0.000 0.254 897 Y C 0.374 176.302 175.900 0.047 0.000 1.120 897 Y CA -0.243 57.732 58.100 -0.207 0.000 1.282 897 Y CB 0.258 38.400 38.460 -0.531 0.000 1.109 897 Y HN -0.124 nan 8.280 nan 0.000 0.526 898 R N 1.128 121.762 120.500 0.223 0.000 2.340 898 R HA 0.513 4.853 4.340 -0.000 0.000 0.300 898 R C -1.533 174.723 176.300 -0.073 0.000 1.069 898 R CA -0.133 55.977 56.100 0.016 0.000 0.984 898 R CB 0.415 30.615 30.300 -0.168 0.000 1.003 898 R HN -0.097 nan 8.270 nan 0.000 0.459 899 V N 4.627 124.486 119.914 -0.092 0.000 2.686 899 V HA 0.350 4.470 4.120 -0.000 0.000 0.306 899 V C -1.230 174.824 176.094 -0.066 0.000 1.065 899 V CA -0.798 61.466 62.300 -0.060 0.000 0.894 899 V CB 2.023 33.825 31.823 -0.035 0.000 1.004 899 V HN 0.820 nan 8.190 nan 0.000 0.424 900 D N 3.942 124.327 120.400 -0.025 0.000 2.542 900 D HA 0.368 5.008 4.640 -0.000 0.000 0.252 900 D C 0.376 176.673 176.300 -0.007 0.000 1.222 900 D CA -0.381 53.607 54.000 -0.020 0.000 0.895 900 D CB 2.002 42.803 40.800 0.002 0.000 1.207 900 D HN 0.410 nan 8.370 nan 0.000 0.558 901 L N 3.039 124.252 121.223 -0.017 0.000 2.610 901 L HA 0.138 4.478 4.340 -0.000 0.000 0.232 901 L C 0.947 177.807 176.870 -0.016 0.000 1.149 901 L CA 0.499 55.329 54.840 -0.015 0.000 0.872 901 L CB 0.006 42.054 42.059 -0.018 0.000 0.992 901 L HN 0.340 nan 8.230 nan 0.000 0.447 902 L N 0.122 121.332 121.223 -0.021 0.000 2.959 902 L HA 0.357 4.697 4.340 -0.000 0.000 0.236 902 L C -0.414 176.435 176.870 -0.036 0.000 1.296 902 L CA -0.046 54.777 54.840 -0.027 0.000 1.047 902 L CB -0.344 41.697 42.059 -0.031 0.000 1.395 902 L HN 0.206 nan 8.230 nan 0.000 0.492 903 N N -1.106 117.579 118.700 -0.025 0.000 3.186 903 N HA 0.016 4.755 4.740 -0.000 0.000 0.230 903 N C 0.471 175.980 175.510 -0.002 0.000 1.062 903 N CA -0.142 52.886 53.050 -0.036 0.000 1.084 903 N CB 1.326 39.763 38.487 -0.083 0.000 1.662 903 N HN -0.011 nan 8.380 nan 0.000 0.627 904 T N 0.685 115.235 114.554 -0.007 0.000 2.869 904 T HA -0.105 4.244 4.350 -0.000 0.000 0.270 904 T C 0.338 175.060 174.700 0.036 0.000 1.082 904 T CA 1.187 63.291 62.100 0.008 0.000 1.123 904 T CB -0.097 68.771 68.868 -0.000 0.000 0.856 904 T HN 0.541 nan 8.240 nan 0.000 0.499 905 D N -0.655 119.792 120.400 0.079 0.000 2.474 905 D HA 0.077 4.717 4.640 -0.000 0.000 0.213 905 D C 0.621 177.100 176.300 0.299 0.000 1.120 905 D CA 0.268 54.365 54.000 0.162 0.000 0.836 905 D CB 0.272 41.180 40.800 0.179 0.000 1.019 905 D HN 0.383 nan 8.370 nan 0.000 0.507 906 H N -0.424 118.625 119.070 -0.036 0.000 2.674 906 H HA 0.298 4.854 4.556 -0.000 0.000 0.274 906 H C 0.074 175.371 175.328 -0.052 0.000 1.121 906 H CA -0.055 55.965 56.048 -0.046 0.000 1.132 906 H CB 0.590 30.318 29.762 -0.056 0.000 1.606 906 H HN -0.165 nan 8.280 nan 0.000 0.558 907 T N 0.614 115.202 114.554 0.056 0.000 2.936 907 T HA 0.426 4.776 4.350 -0.000 0.000 0.282 907 T C 0.246 174.936 174.700 -0.016 0.000 1.003 907 T CA -0.795 61.310 62.100 0.009 0.000 1.005 907 T CB 1.100 69.970 68.868 0.004 0.000 1.097 907 T HN 0.074 nan 8.240 nan 0.000 0.532 908 L N 2.385 123.592 121.223 -0.028 0.000 2.369 908 L HA 0.251 4.591 4.340 -0.000 0.000 0.279 908 L C 0.770 177.622 176.870 -0.029 0.000 1.108 908 L CA -0.591 54.226 54.840 -0.038 0.000 0.852 908 L CB 0.128 42.160 42.059 -0.045 0.000 1.169 908 L HN 0.597 nan 8.230 nan 0.000 0.452 909 D N 7.091 127.474 120.400 -0.029 0.000 2.434 909 D HA 0.013 4.653 4.640 -0.000 0.000 0.252 909 D C -1.268 175.019 176.300 -0.022 0.000 1.185 909 D CA -1.320 52.667 54.000 -0.022 0.000 0.886 909 D CB 1.527 42.315 40.800 -0.021 0.000 1.148 909 D HN 0.356 nan 8.370 nan 0.000 0.483 910 P HA -0.190 nan 4.420 nan 0.000 0.225 910 P C 1.011 178.301 177.300 -0.017 0.000 1.141 910 P CA 0.761 63.849 63.100 -0.019 0.000 0.774 910 P CB -0.013 31.678 31.700 -0.015 0.000 0.760 911 S N -1.667 114.024 115.700 -0.015 0.000 2.555 911 S HA 0.002 4.471 4.470 -0.000 0.000 0.230 911 S C 1.724 176.317 174.600 -0.011 0.000 0.978 911 S CA 0.326 58.520 58.200 -0.010 0.000 0.934 911 S CB -0.984 62.211 63.200 -0.008 0.000 0.766 911 S HN 0.179 nan 8.310 nan 0.000 0.533 912 L N -0.809 120.402 121.223 -0.019 0.000 2.519 912 L HA 0.499 4.839 4.340 -0.000 0.000 0.194 912 L C 0.456 177.309 176.870 -0.030 0.000 1.072 912 L CA -0.253 54.573 54.840 -0.023 0.000 0.845 912 L CB -0.387 41.652 42.059 -0.034 0.000 1.138 912 L HN 0.281 nan 8.230 nan 0.000 0.487 913 L N 0.582 121.784 121.223 -0.035 0.000 2.289 913 L HA 0.257 4.597 4.340 -0.000 0.000 0.285 913 L C 1.049 177.900 176.870 -0.033 0.000 1.049 913 L CA 0.145 54.961 54.840 -0.041 0.000 0.804 913 L CB 1.269 43.299 42.059 -0.049 0.000 1.195 913 L HN 0.120 nan 8.230 nan 0.000 0.428 914 E N 1.582 121.762 120.200 -0.033 0.000 2.049 914 E HA -0.194 4.156 4.350 -0.000 0.000 0.198 914 E C 0.813 177.398 176.600 -0.025 0.000 1.007 914 E CA 1.817 58.202 56.400 -0.026 0.000 0.809 914 E CB 0.129 29.813 29.700 -0.027 0.000 0.749 914 E HN 0.825 nan 8.360 nan 0.000 0.450 915 S N -0.676 115.006 115.700 -0.029 0.000 2.815 915 S HA 0.228 4.698 4.470 -0.000 0.000 0.254 915 S C 1.107 175.691 174.600 -0.027 0.000 1.197 915 S CA -0.141 58.043 58.200 -0.027 0.000 1.216 915 S CB 0.659 63.842 63.200 -0.029 0.000 0.871 915 S HN 0.338 nan 8.310 nan 0.000 0.473 916 G N 2.735 111.520 108.800 -0.026 0.000 2.424 916 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.214 916 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.214 916 G C 1.685 176.573 174.900 -0.020 0.000 1.202 916 G CA 0.761 45.846 45.100 -0.025 0.000 0.793 916 G HN 0.777 nan 8.290 nan 0.000 0.534 917 S N 1.544 117.234 115.700 -0.017 0.000 2.399 917 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 917 S C 1.919 176.510 174.600 -0.014 0.000 1.022 917 S CA 1.738 59.929 58.200 -0.014 0.000 0.983 917 S CB -0.415 62.778 63.200 -0.012 0.000 0.803 917 S HN 0.726 nan 8.310 nan 0.000 0.480 918 E N 0.389 120.580 120.200 -0.015 0.000 2.463 918 E HA 0.255 4.605 4.350 -0.000 0.000 0.191 918 E C 1.401 177.991 176.600 -0.016 0.000 1.083 918 E CA 0.103 56.494 56.400 -0.015 0.000 0.872 918 E CB -0.255 29.436 29.700 -0.014 0.000 0.966 918 E HN 0.606 nan 8.360 nan 0.000 0.491 919 I N 0.234 120.793 120.570 -0.018 0.000 3.194 919 I HA 0.055 4.224 4.170 -0.000 0.000 0.271 919 I C 1.047 177.153 176.117 -0.017 0.000 1.150 919 I CA -0.425 60.863 61.300 -0.019 0.000 1.440 919 I CB 0.430 38.415 38.000 -0.024 0.000 1.276 919 I HN 0.201 nan 8.210 nan 0.000 0.457 920 L N 2.577 123.791 121.223 -0.016 0.000 2.841 920 L HA -0.138 4.202 4.340 -0.000 0.000 0.282 920 L C 1.032 177.894 176.870 -0.015 0.000 1.130 920 L CA 1.227 56.059 54.840 -0.015 0.000 0.996 920 L CB -0.233 41.819 42.059 -0.013 0.000 1.364 920 L HN 0.599 nan 8.230 nan 0.000 0.466 921 G N 2.546 111.337 108.800 -0.015 0.000 2.493 921 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.206 921 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.206 921 G C 0.237 175.128 174.900 -0.015 0.000 1.109 921 G CA 0.029 45.119 45.100 -0.015 0.000 0.689 921 G HN 0.718 nan 8.290 nan 0.000 0.516 922 D N 1.389 121.781 120.400 -0.014 0.000 2.982 922 D HA 0.016 4.655 4.640 -0.000 0.000 0.222 922 D C 1.608 177.901 176.300 -0.013 0.000 1.124 922 D CA 0.618 54.610 54.000 -0.013 0.000 0.810 922 D CB 0.294 41.086 40.800 -0.014 0.000 1.152 922 D HN 0.303 nan 8.370 nan 0.000 0.538 923 L N 4.069 125.285 121.223 -0.011 0.000 2.270 923 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 923 L C 2.324 179.189 176.870 -0.008 0.000 1.104 923 L CA 0.510 55.344 54.840 -0.010 0.000 0.804 923 L CB 0.043 42.096 42.059 -0.009 0.000 0.937 923 L HN 0.352 nan 8.230 nan 0.000 0.450 924 K N -0.255 120.141 120.400 -0.008 0.000 2.365 924 K HA -0.074 4.245 4.320 -0.000 0.000 0.199 924 K C 1.889 178.485 176.600 -0.006 0.000 1.045 924 K CA 0.775 57.058 56.287 -0.006 0.000 0.962 924 K CB 0.171 32.668 32.500 -0.006 0.000 0.759 924 K HN 0.302 nan 8.250 nan 0.000 0.469 925 L N 0.261 121.479 121.223 -0.009 0.000 2.102 925 L HA -0.085 4.255 4.340 -0.000 0.000 0.202 925 L C 2.227 179.093 176.870 -0.006 0.000 1.076 925 L CA 0.598 55.432 54.840 -0.009 0.000 0.761 925 L CB -0.325 41.725 42.059 -0.015 0.000 0.921 925 L HN 0.144 nan 8.230 nan 0.000 0.444 926 Q N 0.090 119.885 119.800 -0.008 0.000 2.449 926 Q HA -0.157 4.183 4.340 -0.000 0.000 0.214 926 Q C 2.093 178.094 176.000 0.001 0.000 0.986 926 Q CA 1.096 56.895 55.803 -0.008 0.000 0.893 926 Q CB -0.291 28.439 28.738 -0.013 0.000 0.940 926 Q HN 0.376 nan 8.270 nan 0.000 0.477 927 V N -0.193 119.724 119.914 0.004 0.000 2.446 927 V HA -0.166 3.954 4.120 -0.000 0.000 0.244 927 V C 2.300 178.405 176.094 0.018 0.000 1.039 927 V CA 0.822 63.129 62.300 0.011 0.000 1.045 927 V CB -0.385 31.443 31.823 0.008 0.000 0.681 927 V HN 0.249 nan 8.190 nan 0.000 0.459 928 L N -0.662 120.569 121.223 0.013 0.000 1.976 928 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 928 L C 2.554 179.442 176.870 0.030 0.000 1.071 928 L CA 1.331 56.181 54.840 0.018 0.000 0.746 928 L CB -0.693 41.371 42.059 0.008 0.000 0.890 928 L HN 0.276 nan 8.230 nan 0.000 0.432 929 L N 0.015 121.251 121.223 0.022 0.000 2.051 929 L HA -0.306 4.034 4.340 -0.000 0.000 0.214 929 L C 2.258 179.166 176.870 0.062 0.000 1.076 929 L CA 2.019 56.878 54.840 0.032 0.000 0.758 929 L CB -1.109 40.955 42.059 0.007 0.000 0.890 929 L HN 0.392 nan 8.230 nan 0.000 0.433 930 D N -0.920 119.510 120.400 0.050 0.000 2.194 930 D HA -0.122 4.518 4.640 -0.000 0.000 0.204 930 D C 2.083 178.450 176.300 0.111 0.000 0.964 930 D CA 0.557 54.603 54.000 0.076 0.000 0.846 930 D CB 0.242 41.067 40.800 0.041 0.000 0.962 930 D HN 0.421 nan 8.370 nan 0.000 0.490 931 E N 0.878 121.124 120.200 0.076 0.000 2.023 931 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 931 E C 1.948 178.601 176.600 0.088 0.000 1.003 931 E CA 0.920 57.361 56.400 0.068 0.000 0.809 931 E CB -0.052 29.674 29.700 0.042 0.000 0.755 931 E HN 0.338 nan 8.360 nan 0.000 0.449 932 E N 0.057 120.310 120.200 0.089 0.000 2.108 932 E HA -0.298 4.051 4.350 -0.000 0.000 0.203 932 E C 1.986 178.671 176.600 0.140 0.000 1.022 932 E CA 1.580 58.038 56.400 0.097 0.000 0.823 932 E CB -0.267 29.491 29.700 0.096 0.000 0.744 932 E HN 0.327 nan 8.360 nan 0.000 0.456 933 Y N 0.779 121.110 120.300 0.052 0.000 2.220 933 Y HA -0.041 4.509 4.550 -0.000 0.000 0.291 933 Y C 1.934 177.889 175.900 0.092 0.000 1.129 933 Y CA 1.589 59.736 58.100 0.079 0.000 1.161 933 Y CB 0.182 38.687 38.460 0.075 0.000 0.997 933 Y HN -0.086 nan 8.280 nan 0.000 0.522 934 K N -0.250 120.277 120.400 0.211 0.000 2.515 934 K HA -0.184 4.136 4.320 -0.000 0.000 0.196 934 K C 1.703 178.327 176.600 0.041 0.000 1.038 934 K CA 0.937 57.296 56.287 0.121 0.000 0.967 934 K CB 0.079 32.644 32.500 0.109 0.000 0.780 934 K HN 0.317 nan 8.250 nan 0.000 0.483 935 Q N 0.673 120.489 119.800 0.026 0.000 2.263 935 Q HA 0.077 4.417 4.340 -0.000 0.000 0.196 935 Q C 1.718 177.700 176.000 -0.030 0.000 0.965 935 Q CA 0.806 56.608 55.803 -0.002 0.000 0.851 935 Q CB -0.044 28.696 28.738 0.004 0.000 0.948 935 Q HN 0.163 nan 8.270 nan 0.000 0.516 936 L N 0.101 121.301 121.223 -0.039 0.000 2.137 936 L HA -0.205 4.135 4.340 -0.000 0.000 0.213 936 L C 2.240 179.097 176.870 -0.022 0.000 1.085 936 L CA 0.916 55.729 54.840 -0.045 0.000 0.760 936 L CB -0.710 41.286 42.059 -0.104 0.000 0.893 936 L HN 0.130 nan 8.230 nan 0.000 0.434 937 V N 0.105 119.966 119.914 -0.088 0.000 2.270 937 V HA -0.293 3.827 4.120 -0.000 0.000 0.245 937 V C 2.676 178.714 176.094 -0.094 0.000 1.043 937 V CA 2.028 64.247 62.300 -0.134 0.000 1.014 937 V CB -0.394 31.364 31.823 -0.108 0.000 0.645 937 V HN 0.457 nan 8.190 nan 0.000 0.447 938 K N -0.190 120.185 120.400 -0.041 0.000 2.032 938 K HA -0.265 4.055 4.320 -0.000 0.000 0.209 938 K C 1.828 178.440 176.600 0.020 0.000 1.048 938 K CA 2.215 58.500 56.287 -0.004 0.000 0.927 938 K CB -0.327 32.177 32.500 0.008 0.000 0.712 938 K HN 0.438 nan 8.250 nan 0.000 0.441 939 D N 0.280 120.670 120.400 -0.016 0.000 2.126 939 D HA -0.209 4.431 4.640 -0.000 0.000 0.190 939 D C 1.927 178.249 176.300 0.038 0.000 1.001 939 D CA 1.370 55.361 54.000 -0.016 0.000 0.841 939 D CB -0.172 40.596 40.800 -0.053 0.000 0.949 939 D HN 0.173 nan 8.370 nan 0.000 0.446 940 R N 0.786 121.262 120.500 -0.039 0.000 2.196 940 R HA -0.193 4.147 4.340 -0.000 0.000 0.227 940 R C 2.036 178.331 176.300 -0.008 0.000 1.108 940 R CA 1.849 57.900 56.100 -0.083 0.000 0.884 940 R CB -0.086 30.043 30.300 -0.284 0.000 0.839 940 R HN -0.021 nan 8.270 nan 0.000 0.431 941 K N 0.045 120.424 120.400 -0.036 0.000 2.052 941 K HA -0.252 4.068 4.320 -0.000 0.000 0.215 941 K C 2.089 178.709 176.600 0.032 0.000 1.053 941 K CA 2.069 58.346 56.287 -0.016 0.000 0.934 941 K CB -1.058 31.424 32.500 -0.030 0.000 0.717 941 K HN 0.323 nan 8.250 nan 0.000 0.450 942 F N 1.887 121.802 119.950 -0.058 0.000 2.063 942 F HA -0.262 4.265 4.527 -0.000 0.000 0.298 942 F C 2.163 177.938 175.800 -0.043 0.000 1.109 942 F CA 1.545 59.513 58.000 -0.053 0.000 1.212 942 F CB -0.246 38.725 39.000 -0.049 0.000 0.973 942 F HN -0.086 nan 8.300 nan 0.000 0.480 943 L N -0.046 121.399 121.223 0.371 0.000 2.017 943 L HA -0.220 4.119 4.340 -0.000 0.000 0.208 943 L C 2.458 179.418 176.870 0.151 0.000 1.073 943 L CA 1.522 56.545 54.840 0.305 0.000 0.745 943 L CB -0.827 41.375 42.059 0.238 0.000 0.894 943 L HN 0.052 nan 8.230 nan 0.000 0.432 944 R N -0.050 120.507 120.500 0.096 0.000 2.357 944 R HA -0.115 4.225 4.340 -0.000 0.000 0.202 944 R C 1.692 177.987 176.300 -0.009 0.000 1.047 944 R CA 0.606 56.757 56.100 0.086 0.000 1.034 944 R CB -0.046 30.304 30.300 0.084 0.000 0.875 944 R HN 0.488 nan 8.270 nan 0.000 0.473 945 E N -0.726 119.404 120.200 -0.116 0.000 2.415 945 E HA -0.010 4.340 4.350 -0.000 0.000 0.197 945 E C 1.344 177.765 176.600 -0.298 0.000 1.007 945 E CA 0.168 56.438 56.400 -0.217 0.000 0.890 945 E CB 0.691 30.203 29.700 -0.313 0.000 0.891 945 E HN 0.059 nan 8.360 nan 0.000 0.496 946 V N -0.051 119.657 119.914 -0.343 0.000 2.521 946 V HA 0.013 4.133 4.120 -0.000 0.000 0.239 946 V C 0.466 176.202 176.094 -0.597 0.000 1.053 946 V CA 0.855 62.825 62.300 -0.549 0.000 1.073 946 V CB 0.050 31.440 31.823 -0.722 0.000 0.746 946 V HN 0.099 nan 8.190 nan 0.000 0.476 947 F N 0.507 120.339 119.950 -0.197 0.000 2.441 947 F HA 0.367 4.894 4.527 -0.000 0.000 0.337 947 F C 1.251 177.033 175.800 -0.030 0.000 1.182 947 F CA -0.325 57.583 58.000 -0.155 0.000 1.279 947 F CB 0.142 39.027 39.000 -0.193 0.000 1.614 947 F HN -0.170 nan 8.300 nan 0.000 0.574 948 V N 0.025 119.987 119.914 0.081 0.000 2.317 948 V HA -0.351 3.769 4.120 -0.000 0.000 0.251 948 V C 2.134 178.345 176.094 0.195 0.000 1.065 948 V CA 1.995 64.363 62.300 0.112 0.000 1.049 948 V CB -0.324 31.517 31.823 0.030 0.000 0.651 948 V HN 0.590 nan 8.190 nan 0.000 0.450 949 D N 0.222 120.719 120.400 0.162 0.000 2.191 949 D HA -0.191 4.449 4.640 -0.000 0.000 0.195 949 D C 1.936 178.251 176.300 0.025 0.000 1.003 949 D CA 2.229 56.308 54.000 0.133 0.000 0.867 949 D CB -0.242 40.648 40.800 0.149 0.000 0.926 949 D HN 0.669 nan 8.370 nan 0.000 0.450 950 G N 0.608 109.349 108.800 -0.098 0.000 2.179 950 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 950 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 950 G C 0.226 174.932 174.900 -0.323 0.000 0.990 950 G CA 0.383 45.070 45.100 -0.689 0.000 0.646 950 G HN 0.361 nan 8.290 nan 0.000 0.517 951 E N 0.823 120.995 120.200 -0.046 0.000 2.465 951 E HA 0.597 4.947 4.350 -0.000 0.000 0.260 951 E C 1.172 177.821 176.600 0.082 0.000 0.980 951 E CA 1.020 57.411 56.400 -0.017 0.000 0.927 951 E CB 0.819 30.549 29.700 0.051 0.000 0.934 951 E HN 0.770 nan 8.360 nan 0.000 0.459 952 A N 5.030 127.799 122.820 -0.086 0.000 2.259 952 A HA 0.129 4.449 4.320 -0.000 0.000 0.213 952 A C 0.170 177.690 177.584 -0.107 0.000 1.209 952 A CA -0.242 51.777 52.037 -0.030 0.000 0.910 952 A CB 0.135 19.100 19.000 -0.058 0.000 0.946 952 A HN 0.566 nan 8.150 nan 0.000 0.497 953 N N 0.286 118.745 118.700 -0.401 0.000 2.408 953 N HA 0.354 5.094 4.740 -0.000 0.000 0.257 953 N C -1.615 173.343 175.510 -0.920 0.000 1.064 953 N CA 0.335 53.118 53.050 -0.444 0.000 0.952 953 N CB 0.518 38.794 38.487 -0.352 0.000 1.093 953 N HN 0.447 nan 8.380 nan 0.000 0.490 954 W N 2.065 123.265 121.300 -0.166 0.000 3.033 954 W HA 0.395 5.055 4.660 -0.000 0.000 0.336 954 W C -2.103 174.397 176.519 -0.031 0.000 1.173 954 W CA -1.645 55.616 57.345 -0.140 0.000 1.185 954 W CB 1.144 30.449 29.460 -0.258 0.000 1.425 954 W HN 0.291 nan 8.180 nan 0.000 0.536 955 P HA 0.369 nan 4.420 nan 0.000 0.281 955 P C -0.981 176.436 177.300 0.196 0.000 1.252 955 P CA 0.337 63.564 63.100 0.212 0.000 0.778 955 P CB 1.394 33.249 31.700 0.259 0.000 0.895 956 L N 4.345 125.662 121.223 0.157 0.000 2.540 956 L HA 0.497 4.837 4.340 -0.000 0.000 0.256 956 L C -2.487 174.428 176.870 0.075 0.000 1.001 956 L CA -2.521 52.399 54.840 0.134 0.000 0.843 956 L CB 3.287 45.477 42.059 0.219 0.000 1.436 956 L HN 0.190 nan 8.230 nan 0.000 0.410 957 P HA 0.142 nan 4.420 nan 0.000 0.274 957 P C -0.601 176.653 177.300 -0.077 0.000 1.246 957 P CA 0.004 63.023 63.100 -0.134 0.000 0.795 957 P CB 1.369 32.840 31.700 -0.380 0.000 1.006 958 V N -0.090 119.797 119.914 -0.045 0.000 3.683 958 V HA -0.220 3.900 4.120 -0.000 0.000 0.493 958 V C 0.471 176.630 176.094 0.109 0.000 0.682 958 V CA 0.397 62.723 62.300 0.044 0.000 2.008 958 V CB -1.415 30.483 31.823 0.124 0.000 2.427 958 V HN 0.890 nan 8.190 nan 0.000 0.505 959 N N 5.565 124.293 118.700 0.048 0.000 2.439 959 N HA 0.301 5.041 4.740 -0.000 0.000 0.243 959 N C 0.861 176.385 175.510 0.023 0.000 1.088 959 N CA -0.094 52.978 53.050 0.037 0.000 0.940 959 N CB 0.838 39.317 38.487 -0.014 0.000 1.180 959 N HN 0.678 nan 8.380 nan 0.000 0.505 960 I N 2.733 123.329 120.570 0.044 0.000 2.333 960 I HA -0.165 4.005 4.170 -0.000 0.000 0.246 960 I C 2.461 178.545 176.117 -0.054 0.000 1.106 960 I CA 0.313 61.607 61.300 -0.010 0.000 1.411 960 I CB -0.148 37.847 38.000 -0.007 0.000 1.082 960 I HN 0.561 nan 8.210 nan 0.000 0.420 961 R N 1.713 122.198 120.500 -0.025 0.000 2.136 961 R HA -0.260 4.080 4.340 -0.000 0.000 0.242 961 R C 2.429 178.689 176.300 -0.067 0.000 1.131 961 R CA 2.189 58.267 56.100 -0.036 0.000 0.937 961 R CB -0.274 30.024 30.300 -0.004 0.000 0.863 961 R HN 0.288 nan 8.270 nan 0.000 0.435 962 R N 0.037 120.507 120.500 -0.049 0.000 2.092 962 R HA -0.058 4.282 4.340 -0.000 0.000 0.231 962 R C 2.501 178.765 176.300 -0.060 0.000 1.119 962 R CA 1.387 57.452 56.100 -0.057 0.000 0.970 962 R CB -0.471 29.809 30.300 -0.033 0.000 0.864 962 R HN 0.386 nan 8.270 nan 0.000 0.440 963 I N 0.973 121.504 120.570 -0.065 0.000 2.315 963 I HA -0.330 3.840 4.170 -0.000 0.000 0.251 963 I C 2.023 178.114 176.117 -0.044 0.000 1.125 963 I CA 1.453 62.705 61.300 -0.079 0.000 1.392 963 I CB 0.064 37.987 38.000 -0.129 0.000 1.065 963 I HN 0.203 nan 8.210 nan 0.000 0.424 964 I N -0.168 120.336 120.570 -0.110 0.000 2.277 964 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 964 I C 2.430 178.500 176.117 -0.078 0.000 1.094 964 I CA 0.884 62.100 61.300 -0.141 0.000 1.393 964 I CB -0.399 37.358 38.000 -0.405 0.000 1.078 964 I HN 0.254 nan 8.210 nan 0.000 0.417 965 Q N 0.740 120.457 119.800 -0.138 0.000 2.182 965 Q HA -0.280 4.060 4.340 -0.000 0.000 0.213 965 Q C 1.887 177.769 176.000 -0.196 0.000 1.000 965 Q CA 1.828 57.485 55.803 -0.243 0.000 0.889 965 Q CB -0.401 28.100 28.738 -0.394 0.000 0.932 965 Q HN 0.579 nan 8.270 nan 0.000 0.415 966 N N 0.314 119.000 118.700 -0.023 0.000 2.109 966 N HA -0.102 4.638 4.740 -0.000 0.000 0.188 966 N C 1.819 177.419 175.510 0.150 0.000 1.034 966 N CA 1.233 54.352 53.050 0.115 0.000 0.846 966 N CB -0.520 38.135 38.487 0.280 0.000 1.010 966 N HN 0.238 nan 8.380 nan 0.000 0.425 967 A N 2.377 125.399 122.820 0.336 0.000 1.940 967 A HA -0.260 4.060 4.320 -0.000 0.000 0.221 967 A C 2.109 179.756 177.584 0.104 0.000 1.190 967 A CA 1.466 53.644 52.037 0.235 0.000 0.647 967 A CB -0.594 18.599 19.000 0.322 0.000 0.821 967 A HN 0.304 nan 8.150 nan 0.000 0.457 968 Q N -0.457 119.375 119.800 0.054 0.000 1.708 968 Q HA -0.284 4.056 4.340 -0.000 0.000 0.378 968 Q C 2.144 178.161 176.000 0.028 0.000 1.010 968 Q CA 2.087 57.912 55.803 0.036 0.000 0.892 968 Q CB -0.868 27.889 28.738 0.033 0.000 0.954 968 Q HN 1.001 nan 8.270 nan 0.000 0.405 969 Q N 0.131 119.945 119.800 0.025 0.000 2.591 969 Q HA -0.038 4.302 4.340 -0.000 0.000 0.219 969 Q C 1.046 176.887 176.000 -0.265 0.000 0.981 969 Q CA 1.386 57.161 55.803 -0.048 0.000 0.945 969 Q CB -0.175 28.615 28.738 0.087 0.000 0.985 969 Q HN 0.190 nan 8.270 nan 0.000 0.542 970 T N -0.665 113.763 114.554 -0.210 0.000 3.057 970 T HA 0.142 4.492 4.350 -0.000 0.000 0.254 970 T C -0.194 174.077 174.700 -0.715 0.000 1.094 970 T CA 0.334 62.160 62.100 -0.456 0.000 1.088 970 T CB 0.087 68.641 68.868 -0.523 0.000 0.934 970 T HN 0.365 nan 8.240 nan 0.000 0.497 971 F N 0.440 120.153 119.950 -0.394 0.000 2.791 971 F HA 0.338 4.865 4.527 -0.000 0.000 0.316 971 F C 0.336 176.055 175.800 -0.135 0.000 1.134 971 F CA -1.141 56.699 58.000 -0.266 0.000 1.222 971 F CB -0.225 38.645 39.000 -0.217 0.000 1.034 971 F HN 0.109 nan 8.300 nan 0.000 0.516 972 H N 0.616 119.713 119.070 0.044 0.000 2.484 972 H HA -0.192 4.364 4.556 -0.000 0.000 0.321 972 H C 0.711 176.038 175.328 -0.002 0.000 1.065 972 H CA 0.476 56.532 56.048 0.013 0.000 1.118 972 H CB -1.268 28.491 29.762 -0.006 0.000 1.511 972 H HN 0.321 nan 8.280 nan 0.000 0.403 973 I N 2.900 123.504 120.570 0.056 0.000 2.742 973 I HA -0.112 4.058 4.170 -0.000 0.000 0.287 973 I C 0.987 177.007 176.117 -0.161 0.000 1.186 973 I CA 0.519 61.794 61.300 -0.042 0.000 1.417 973 I CB 0.334 38.285 38.000 -0.082 0.000 1.377 973 I HN 0.233 nan 8.210 nan 0.000 0.556 974 D N 6.885 127.220 120.400 -0.109 0.000 2.249 974 D HA 0.044 4.684 4.640 -0.000 0.000 0.246 974 D C 0.683 176.905 176.300 -0.129 0.000 1.114 974 D CA -0.406 53.529 54.000 -0.109 0.000 0.854 974 D CB 0.887 41.676 40.800 -0.017 0.000 1.132 974 D HN 0.472 nan 8.370 nan 0.000 0.461 975 H N 1.475 120.572 119.070 0.045 0.000 2.563 975 H HA -0.047 4.509 4.556 -0.000 0.000 0.272 975 H C 1.505 176.844 175.328 0.020 0.000 1.005 975 H CA 1.121 57.188 56.048 0.033 0.000 1.171 975 H CB -0.011 29.772 29.762 0.035 0.000 1.351 975 H HN 0.651 nan 8.280 nan 0.000 0.602 976 T N -1.815 112.794 114.554 0.092 0.000 2.837 976 T HA 0.028 4.378 4.350 -0.000 0.000 0.242 976 T C 1.152 175.873 174.700 0.034 0.000 1.044 976 T CA -0.181 61.954 62.100 0.058 0.000 1.202 976 T CB 0.448 69.342 68.868 0.043 0.000 0.905 976 T HN 0.041 nan 8.240 nan 0.000 0.413 977 K N 2.741 123.153 120.400 0.020 0.000 2.234 977 K HA 0.268 4.588 4.320 -0.000 0.000 0.251 977 K C -2.231 174.373 176.600 0.006 0.000 1.011 977 K CA -1.368 54.925 56.287 0.010 0.000 0.889 977 K CB -0.025 32.478 32.500 0.005 0.000 1.011 977 K HN 0.369 nan 8.250 nan 0.000 0.505 978 P HA 0.043 nan 4.420 nan 0.000 0.281 978 P C -0.455 176.836 177.300 -0.015 0.000 1.264 978 P CA -0.426 62.669 63.100 -0.008 0.000 0.824 978 P CB 1.507 33.200 31.700 -0.012 0.000 1.092 979 S N 0.032 115.718 115.700 -0.024 0.000 2.602 979 S HA 0.156 4.626 4.470 -0.000 0.000 0.257 979 S C 0.365 174.941 174.600 -0.040 0.000 1.250 979 S CA 0.168 58.347 58.200 -0.035 0.000 0.986 979 S CB -0.273 62.898 63.200 -0.049 0.000 1.040 979 S HN 0.676 nan 8.310 nan 0.000 0.562 980 D N 0.226 120.594 120.400 -0.053 0.000 2.822 980 D HA 0.153 4.792 4.640 -0.000 0.000 0.327 980 D C -0.614 175.643 176.300 -0.072 0.000 1.577 980 D CA -0.206 53.763 54.000 -0.051 0.000 0.785 980 D CB -1.067 39.712 40.800 -0.035 0.000 1.199 980 D HN 0.374 nan 8.370 nan 0.000 0.443 981 L N 1.101 122.261 121.223 -0.104 0.000 2.289 981 L HA 0.421 4.760 4.340 -0.000 0.000 0.285 981 L C 0.464 177.258 176.870 -0.126 0.000 1.049 981 L CA -0.500 54.249 54.840 -0.152 0.000 0.804 981 L CB 1.471 43.377 42.059 -0.255 0.000 1.195 981 L HN -0.193 nan 8.230 nan 0.000 0.428 982 T N 2.407 116.895 114.554 -0.111 0.000 2.898 982 T HA 0.208 4.558 4.350 -0.000 0.000 0.301 982 T C 1.662 176.300 174.700 -0.104 0.000 1.049 982 T CA -0.367 61.684 62.100 -0.083 0.000 1.095 982 T CB 1.502 70.334 68.868 -0.061 0.000 0.976 982 T HN 0.442 nan 8.240 nan 0.000 0.539 983 I N 0.879 121.401 120.570 -0.080 0.000 2.454 983 I HA -0.153 4.017 4.170 -0.000 0.000 0.254 983 I C 2.505 178.579 176.117 -0.072 0.000 1.156 983 I CA 1.246 62.498 61.300 -0.080 0.000 1.433 983 I CB -0.236 37.731 38.000 -0.055 0.000 1.082 983 I HN 0.683 nan 8.210 nan 0.000 0.432 984 K N 0.571 120.937 120.400 -0.057 0.000 2.001 984 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 984 K C 1.718 178.288 176.600 -0.051 0.000 1.048 984 K CA 1.402 57.665 56.287 -0.039 0.000 0.932 984 K CB -0.199 32.284 32.500 -0.027 0.000 0.715 984 K HN 0.151 nan 8.250 nan 0.000 0.437 985 D N 1.107 121.463 120.400 -0.074 0.000 2.248 985 D HA -0.243 4.397 4.640 -0.000 0.000 0.189 985 D C 1.813 178.036 176.300 -0.127 0.000 1.011 985 D CA 1.399 55.344 54.000 -0.093 0.000 0.868 985 D CB -0.260 40.451 40.800 -0.148 0.000 0.931 985 D HN 0.168 nan 8.370 nan 0.000 0.449 986 I N 0.158 120.586 120.570 -0.237 0.000 2.138 986 I HA -0.242 3.928 4.170 -0.000 0.000 0.225 986 I C 2.501 178.621 176.117 0.005 0.000 1.057 986 I CA 0.526 61.666 61.300 -0.267 0.000 1.343 986 I CB -0.568 37.255 38.000 -0.295 0.000 1.118 986 I HN -0.126 nan 8.210 nan 0.000 0.395 987 V N 1.329 121.239 119.914 -0.006 0.000 2.511 987 V HA -0.280 3.840 4.120 -0.000 0.000 0.257 987 V C 2.060 178.175 176.094 0.036 0.000 1.088 987 V CA 1.594 63.912 62.300 0.029 0.000 1.098 987 V CB -0.732 31.099 31.823 0.013 0.000 0.674 987 V HN 0.401 nan 8.190 nan 0.000 0.470 988 L N -0.302 120.938 121.223 0.029 0.000 2.592 988 L HA 0.221 4.561 4.340 -0.000 0.000 0.227 988 L C 2.049 178.949 176.870 0.050 0.000 1.127 988 L CA 0.742 55.599 54.840 0.029 0.000 0.884 988 L CB -0.139 41.929 42.059 0.014 0.000 1.065 988 L HN 0.444 nan 8.230 nan 0.000 0.457 989 G N -1.325 107.535 108.800 0.099 0.000 2.747 989 G HA2 -0.006 3.953 3.960 -0.000 0.000 0.202 989 G HA3 -0.006 3.953 3.960 -0.000 0.000 0.202 989 G C 1.353 176.306 174.900 0.089 0.000 1.090 989 G CA 0.130 45.304 45.100 0.125 0.000 0.779 989 G HN 0.043 nan 8.290 nan 0.000 0.535 990 V N 0.950 120.936 119.914 0.121 0.000 2.407 990 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 990 V C 2.666 178.758 176.094 -0.004 0.000 1.055 990 V CA 2.216 64.547 62.300 0.052 0.000 1.049 990 V CB -0.273 31.601 31.823 0.086 0.000 0.662 990 V HN 0.293 nan 8.190 nan 0.000 0.455 991 K N -0.236 120.170 120.400 0.010 0.000 1.984 991 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 991 K C 1.961 178.548 176.600 -0.023 0.000 1.046 991 K CA 1.574 57.853 56.287 -0.012 0.000 0.934 991 K CB -0.263 32.236 32.500 -0.002 0.000 0.717 991 K HN 0.366 nan 8.250 nan 0.000 0.438 992 D N 0.826 121.221 120.400 -0.009 0.000 2.354 992 D HA -0.148 4.492 4.640 -0.000 0.000 0.216 992 D C 1.659 177.936 176.300 -0.037 0.000 0.970 992 D CA 0.567 54.557 54.000 -0.017 0.000 0.905 992 D CB 0.193 40.993 40.800 -0.001 0.000 0.903 992 D HN 0.106 nan 8.370 nan 0.000 0.508 993 L N 0.954 122.147 121.223 -0.051 0.000 2.034 993 L HA -0.106 4.234 4.340 -0.000 0.000 0.203 993 L C 2.183 178.989 176.870 -0.107 0.000 1.074 993 L CA 1.533 56.322 54.840 -0.085 0.000 0.748 993 L CB -0.727 41.268 42.059 -0.106 0.000 0.905 993 L HN -0.118 nan 8.230 nan 0.000 0.439 994 Q N -0.392 119.344 119.800 -0.107 0.000 2.217 994 Q HA -0.261 4.079 4.340 -0.000 0.000 0.209 994 Q C 1.926 177.859 176.000 -0.111 0.000 0.988 994 Q CA 1.693 57.424 55.803 -0.120 0.000 0.878 994 Q CB -0.313 28.366 28.738 -0.099 0.000 0.909 994 Q HN 0.525 nan 8.270 nan 0.000 0.424 995 E N 0.530 120.681 120.200 -0.081 0.000 2.153 995 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 995 E C 1.153 177.711 176.600 -0.071 0.000 0.988 995 E CA 0.789 57.151 56.400 -0.064 0.000 0.811 995 E CB -0.123 29.552 29.700 -0.043 0.000 0.746 995 E HN 0.370 nan 8.360 nan 0.000 0.466 996 N N 0.143 118.789 118.700 -0.089 0.000 2.270 996 N HA 0.053 4.793 4.740 -0.000 0.000 0.198 996 N C 0.239 175.669 175.510 -0.133 0.000 1.117 996 N CA 0.035 53.034 53.050 -0.085 0.000 0.845 996 N CB 0.550 38.998 38.487 -0.066 0.000 0.980 996 N HN 0.142 nan 8.380 nan 0.000 0.486 997 L N 1.882 122.962 121.223 -0.239 0.000 2.727 997 L HA 0.225 4.565 4.340 -0.000 0.000 0.237 997 L C -0.422 176.306 176.870 -0.237 0.000 1.370 997 L CA -0.280 54.244 54.840 -0.526 0.000 1.248 997 L CB -0.625 40.913 42.059 -0.868 0.000 1.556 997 L HN -0.149 nan 8.230 nan 0.000 0.420 998 L N -0.086 121.130 121.223 -0.012 0.000 2.367 998 L HA 0.124 4.464 4.340 -0.000 0.000 0.275 998 L C 1.041 178.029 176.870 0.196 0.000 1.129 998 L CA 0.222 55.110 54.840 0.080 0.000 0.839 998 L CB 1.005 43.088 42.059 0.040 0.000 1.133 998 L HN 0.017 nan 8.230 nan 0.000 0.453 999 V N 2.674 122.687 119.914 0.165 0.000 2.721 999 V HA 0.215 4.334 4.120 -0.000 0.000 0.236 999 V C 0.547 176.691 176.094 0.083 0.000 1.116 999 V CA 0.256 62.638 62.300 0.136 0.000 1.148 999 V CB 0.197 32.103 31.823 0.138 0.000 0.886 999 V HN 0.468 nan 8.190 nan 0.000 0.490 1000 L N 0.041 121.310 121.223 0.076 0.000 2.334 1000 L HA 0.467 4.807 4.340 -0.000 0.000 0.275 1000 L C 0.925 177.825 176.870 0.048 0.000 1.036 1000 L CA -0.138 54.741 54.840 0.064 0.000 0.807 1000 L CB 1.732 43.830 42.059 0.065 0.000 1.231 1000 L HN 0.073 nan 8.230 nan 0.000 0.438 1001 R N 0.853 121.378 120.500 0.042 0.000 2.404 1001 R HA 0.187 4.526 4.340 -0.000 0.000 0.237 1001 R C 0.774 177.087 176.300 0.021 0.000 0.907 1001 R CA -0.085 56.032 56.100 0.028 0.000 1.063 1001 R CB 0.708 31.021 30.300 0.021 0.000 1.134 1001 R HN 0.821 nan 8.270 nan 0.000 0.529 1002 G N 1.542 110.357 108.800 0.026 0.000 2.863 1002 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.225 1002 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.225 1002 G C 0.219 175.126 174.900 0.012 0.000 1.152 1002 G CA 0.208 45.320 45.100 0.020 0.000 0.857 1002 G HN 0.144 nan 8.290 nan 0.000 0.527 1003 K N 0.199 120.605 120.400 0.009 0.000 2.437 1003 K HA 0.157 4.477 4.320 -0.000 0.000 0.205 1003 K C 0.860 177.462 176.600 0.004 0.000 1.026 1003 K CA 0.163 56.453 56.287 0.005 0.000 1.153 1003 K CB -0.097 32.406 32.500 0.004 0.000 0.863 1003 K HN 0.765 nan 8.250 nan 0.000 0.502 1004 N N -2.231 116.471 118.700 0.004 0.000 3.369 1004 N HA 0.146 4.886 4.740 -0.000 0.000 0.362 1004 N C 0.656 176.165 175.510 -0.001 0.000 1.523 1004 N CA -0.596 52.455 53.050 0.001 0.000 0.684 1004 N CB 0.401 38.889 38.487 0.002 0.000 1.796 1004 N HN -0.125 nan 8.380 nan 0.000 0.641 1005 E N -0.211 119.986 120.200 -0.004 0.000 2.094 1005 E HA 0.288 4.638 4.350 -0.000 0.000 0.193 1005 E C 1.623 178.216 176.600 -0.012 0.000 0.950 1005 E CA 0.386 56.782 56.400 -0.008 0.000 0.842 1005 E CB -0.355 29.339 29.700 -0.009 0.000 0.816 1005 E HN 0.567 nan 8.360 nan 0.000 0.465 1006 I N 1.039 121.599 120.570 -0.017 0.000 2.290 1006 I HA -0.301 3.869 4.170 -0.000 0.000 0.253 1006 I C 1.736 177.837 176.117 -0.027 0.000 1.112 1006 I CA 0.864 62.147 61.300 -0.029 0.000 1.377 1006 I CB -0.121 37.859 38.000 -0.034 0.000 1.060 1006 I HN 0.331 nan 8.210 nan 0.000 0.428 1007 I N -0.408 120.155 120.570 -0.011 0.000 2.368 1007 I HA -0.169 4.001 4.170 -0.000 0.000 0.238 1007 I C 2.158 178.277 176.117 0.004 0.000 1.076 1007 I CA 1.004 62.304 61.300 0.000 0.000 1.397 1007 I CB -1.176 36.832 38.000 0.014 0.000 1.141 1007 I HN 0.242 nan 8.210 nan 0.000 0.430 1008 Q N 1.011 120.813 119.800 0.004 0.000 2.585 1008 Q HA -0.182 4.157 4.340 -0.000 0.000 0.219 1008 Q C 1.426 177.426 176.000 -0.001 0.000 0.984 1008 Q CA 0.723 56.528 55.803 0.003 0.000 0.915 1008 Q CB -0.438 28.300 28.738 0.001 0.000 0.967 1008 Q HN 0.474 nan 8.270 nan 0.000 0.530 1009 N N -0.645 118.052 118.700 -0.005 0.000 2.482 1009 N HA 0.044 4.784 4.740 -0.000 0.000 0.179 1009 N C 1.353 176.859 175.510 -0.007 0.000 1.039 1009 N CA 0.807 53.851 53.050 -0.009 0.000 0.884 1009 N CB 0.294 38.771 38.487 -0.016 0.000 1.113 1009 N HN 0.137 nan 8.380 nan 0.000 0.440 1010 A N 1.047 123.862 122.820 -0.007 0.000 1.972 1010 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 1010 A C 2.067 179.662 177.584 0.018 0.000 1.169 1010 A CA 1.459 53.496 52.037 -0.000 0.000 0.635 1010 A CB -0.553 18.448 19.000 0.001 0.000 0.810 1010 A HN 0.369 nan 8.150 nan 0.000 0.446 1011 Q N 0.587 120.399 119.800 0.020 0.000 1.900 1011 Q HA -0.242 4.097 4.340 -0.000 0.000 0.219 1011 Q C 2.051 178.065 176.000 0.023 0.000 1.012 1011 Q CA 2.550 58.370 55.803 0.029 0.000 0.876 1011 Q CB -0.556 28.194 28.738 0.020 0.000 0.952 1011 Q HN 0.630 nan 8.270 nan 0.000 0.419 1012 R N 0.365 120.869 120.500 0.006 0.000 2.178 1012 R HA -0.218 4.121 4.340 -0.000 0.000 0.257 1012 R C 1.933 178.232 176.300 -0.002 0.000 1.163 1012 R CA 1.599 57.696 56.100 -0.006 0.000 0.981 1012 R CB -0.704 29.587 30.300 -0.015 0.000 0.878 1012 R HN 0.542 nan 8.270 nan 0.000 0.454 1013 D N 0.732 121.137 120.400 0.009 0.000 2.081 1013 D HA -0.131 4.508 4.640 -0.000 0.000 0.194 1013 D C 1.881 178.198 176.300 0.028 0.000 0.986 1013 D CA 1.573 55.583 54.000 0.016 0.000 0.837 1013 D CB -0.592 40.219 40.800 0.018 0.000 0.985 1013 D HN 0.247 nan 8.370 nan 0.000 0.448 1014 A N 0.681 123.527 122.820 0.042 0.000 2.204 1014 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 1014 A C 2.357 179.995 177.584 0.090 0.000 1.165 1014 A CA 1.310 53.382 52.037 0.058 0.000 0.671 1014 A CB -0.446 18.594 19.000 0.068 0.000 0.792 1014 A HN 0.193 nan 8.150 nan 0.000 0.473 1015 V N -1.532 118.434 119.914 0.086 0.000 2.581 1015 V HA -0.120 4.000 4.120 -0.000 0.000 0.240 1015 V C 2.377 178.529 176.094 0.097 0.000 1.054 1015 V CA 1.587 63.967 62.300 0.133 0.000 1.076 1015 V CB -1.338 30.537 31.823 0.086 0.000 0.748 1015 V HN 0.559 nan 8.190 nan 0.000 0.474 1016 T N 1.958 116.511 114.554 -0.002 0.000 2.481 1016 T HA -0.423 3.927 4.350 -0.000 0.000 0.229 1016 T C 1.811 176.440 174.700 -0.118 0.000 1.382 1016 T CA 2.630 64.661 62.100 -0.115 0.000 1.082 1016 T CB -0.956 67.802 68.868 -0.184 0.000 0.821 1016 T HN 0.298 nan 8.240 nan 0.000 0.457 1017 L N 0.514 121.711 121.223 -0.042 0.000 2.021 1017 L HA -0.063 4.277 4.340 -0.000 0.000 0.215 1017 L C 2.106 179.028 176.870 0.085 0.000 1.074 1017 L CA 1.781 56.632 54.840 0.018 0.000 0.760 1017 L CB -1.268 40.845 42.059 0.092 0.000 0.889 1017 L HN 0.326 nan 8.230 nan 0.000 0.433 1018 F N 0.049 119.998 119.950 -0.002 0.000 2.046 1018 F HA -0.284 4.243 4.527 -0.000 0.000 0.297 1018 F C 2.639 178.427 175.800 -0.020 0.000 1.123 1018 F CA 1.828 59.843 58.000 0.026 0.000 1.199 1018 F CB -1.170 37.887 39.000 0.096 0.000 0.972 1018 F HN 0.248 nan 8.300 nan 0.000 0.474 1019 C N 0.250 119.425 119.300 -0.209 0.000 2.385 1019 C HA -0.310 4.150 4.460 -0.000 0.000 0.275 1019 C C 3.067 177.889 174.990 -0.279 0.000 1.207 1019 C CA 1.057 59.878 59.018 -0.329 0.000 1.760 1019 C CB -1.971 25.660 27.740 -0.182 0.000 2.051 1019 C HN 0.731 nan 8.230 nan 0.000 0.467 1020 C N 0.476 119.655 119.300 -0.201 0.000 2.376 1020 C HA -0.200 4.260 4.460 -0.000 0.000 0.275 1020 C C 2.550 177.464 174.990 -0.126 0.000 1.200 1020 C CA 1.547 60.475 59.018 -0.150 0.000 1.756 1020 C CB -1.758 25.904 27.740 -0.130 0.000 2.050 1020 C HN 0.696 nan 8.230 nan 0.000 0.460 1021 L N 0.616 121.753 121.223 -0.144 0.000 2.012 1021 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 1021 L C 2.322 179.070 176.870 -0.204 0.000 1.073 1021 L CA 1.781 56.549 54.840 -0.121 0.000 0.748 1021 L CB -0.990 41.016 42.059 -0.089 0.000 0.891 1021 L HN 0.270 nan 8.230 nan 0.000 0.431 1022 L N 0.188 121.155 121.223 -0.428 0.000 1.956 1022 L HA -0.258 4.081 4.340 -0.000 0.000 0.216 1022 L C 2.790 179.552 176.870 -0.181 0.000 1.073 1022 L CA 2.165 56.757 54.840 -0.414 0.000 0.762 1022 L CB -0.708 40.991 42.059 -0.600 0.000 0.889 1022 L HN 0.294 nan 8.230 nan 0.000 0.433 1023 R N -0.995 119.420 120.500 -0.141 0.000 2.170 1023 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 1023 R C 2.505 178.834 176.300 0.048 0.000 1.145 1023 R CA 1.323 57.398 56.100 -0.041 0.000 0.984 1023 R CB -0.751 29.523 30.300 -0.044 0.000 0.869 1023 R HN 0.567 nan 8.270 nan 0.000 0.455 1024 S N 0.631 116.361 115.700 0.051 0.000 2.348 1024 S HA -0.119 4.351 4.470 -0.000 0.000 0.221 1024 S C 1.824 176.546 174.600 0.204 0.000 1.033 1024 S CA 0.952 59.268 58.200 0.193 0.000 1.010 1024 S CB 0.076 63.344 63.200 0.113 0.000 0.891 1024 S HN 0.191 nan 8.310 nan 0.000 0.442 1025 R N 0.651 121.209 120.500 0.098 0.000 2.240 1025 R HA 0.279 4.619 4.340 -0.000 0.000 0.203 1025 R C 0.692 177.088 176.300 0.161 0.000 1.011 1025 R CA 0.338 56.515 56.100 0.129 0.000 1.007 1025 R CB -0.679 29.666 30.300 0.075 0.000 0.911 1025 R HN 0.462 nan 8.270 nan 0.000 0.468 1026 L N 1.157 122.438 121.223 0.097 0.000 3.096 1026 L HA 0.425 4.764 4.340 -0.000 0.000 0.247 1026 L C -0.061 176.881 176.870 0.120 0.000 1.321 1026 L CA -0.584 54.341 54.840 0.143 0.000 1.044 1026 L CB 0.729 42.839 42.059 0.085 0.000 1.434 1026 L HN -0.122 nan 8.230 nan 0.000 0.533 1027 A N -0.414 122.436 122.820 0.051 0.000 2.301 1027 A HA 0.465 4.785 4.320 -0.000 0.000 0.298 1027 A C 1.343 178.897 177.584 -0.050 0.000 1.185 1027 A CA -0.203 51.832 52.037 -0.002 0.000 0.830 1027 A CB 0.645 19.596 19.000 -0.082 0.000 1.112 1027 A HN 0.391 nan 8.150 nan 0.000 0.508 1028 T N 2.139 116.679 114.554 -0.024 0.000 2.481 1028 T HA -0.280 4.070 4.350 -0.000 0.000 0.252 1028 T C 2.169 176.805 174.700 -0.106 0.000 1.242 1028 T CA 2.024 64.091 62.100 -0.055 0.000 1.170 1028 T CB -0.348 68.496 68.868 -0.040 0.000 0.860 1028 T HN 0.687 nan 8.240 nan 0.000 0.422 1029 R N 0.671 121.091 120.500 -0.133 0.000 2.136 1029 R HA -0.138 4.202 4.340 -0.000 0.000 0.242 1029 R C 2.651 178.802 176.300 -0.249 0.000 1.131 1029 R CA 1.971 57.963 56.100 -0.179 0.000 0.937 1029 R CB -0.729 29.450 30.300 -0.201 0.000 0.863 1029 R HN 0.419 nan 8.270 nan 0.000 0.435 1030 R N -0.273 120.014 120.500 -0.356 0.000 2.122 1030 R HA -0.160 4.180 4.340 -0.000 0.000 0.236 1030 R C 2.282 178.300 176.300 -0.468 0.000 1.129 1030 R CA 2.190 57.994 56.100 -0.494 0.000 0.925 1030 R CB -0.608 29.380 30.300 -0.519 0.000 0.850 1030 R HN 0.092 nan 8.270 nan 0.000 0.431 1031 V N 0.861 120.670 119.914 -0.175 0.000 2.636 1031 V HA -0.263 3.857 4.120 -0.000 0.000 0.258 1031 V C 1.864 177.975 176.094 0.029 0.000 1.092 1031 V CA 1.751 64.108 62.300 0.096 0.000 1.110 1031 V CB -0.443 31.481 31.823 0.169 0.000 0.685 1031 V HN 0.319 nan 8.190 nan 0.000 0.481 1032 L N -1.926 119.244 121.223 -0.088 0.000 2.577 1032 L HA 0.165 4.505 4.340 -0.000 0.000 0.225 1032 L C 2.220 179.044 176.870 -0.077 0.000 1.053 1032 L CA 0.706 55.507 54.840 -0.065 0.000 0.866 1032 L CB -0.192 41.821 42.059 -0.077 0.000 1.132 1032 L HN 0.149 nan 8.230 nan 0.000 0.486 1033 Q N 0.031 119.747 119.800 -0.139 0.000 2.339 1033 Q HA -0.021 4.319 4.340 -0.000 0.000 0.205 1033 Q C 1.682 177.593 176.000 -0.148 0.000 0.925 1033 Q CA 0.753 56.480 55.803 -0.127 0.000 0.898 1033 Q CB 0.568 29.220 28.738 -0.144 0.000 1.013 1033 Q HN 0.469 nan 8.270 nan 0.000 0.504 1034 E N -0.601 119.435 120.200 -0.274 0.000 2.065 1034 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 1034 E C -0.492 176.030 176.600 -0.130 0.000 0.960 1034 E CA 0.374 56.593 56.400 -0.301 0.000 0.824 1034 E CB 0.332 29.699 29.700 -0.556 0.000 0.793 1034 E HN 0.297 nan 8.360 nan 0.000 0.459 1035 Y N 0.277 120.597 120.300 0.032 0.000 2.854 1035 Y HA 0.417 4.967 4.550 -0.000 0.000 0.330 1035 Y C -0.284 175.651 175.900 0.058 0.000 1.037 1035 Y CA -1.074 57.071 58.100 0.075 0.000 1.263 1035 Y CB 0.279 38.772 38.460 0.055 0.000 1.120 1035 Y HN -0.289 nan 8.280 nan 0.000 0.532 1036 R N 3.467 124.085 120.500 0.196 0.000 4.134 1036 R HA 0.002 4.342 4.340 -0.000 0.000 0.157 1036 R C -0.267 176.073 176.300 0.066 0.000 1.876 1036 R CA 0.246 56.406 56.100 0.099 0.000 1.334 1036 R CB -0.856 29.487 30.300 0.072 0.000 1.277 1036 R HN 0.755 nan 8.270 nan 0.000 0.721 1037 L N 0.915 122.203 121.223 0.109 0.000 2.426 1037 L HA 0.065 4.404 4.340 -0.000 0.000 0.271 1037 L C 1.645 178.516 176.870 0.001 0.000 1.169 1037 L CA 0.128 55.007 54.840 0.065 0.000 0.836 1037 L CB 0.469 42.632 42.059 0.172 0.000 1.112 1037 L HN 0.332 nan 8.230 nan 0.000 0.465 1038 T N -0.738 113.785 114.554 -0.051 0.000 2.891 1038 T HA 0.158 4.508 4.350 -0.000 0.000 0.294 1038 T C 0.917 175.588 174.700 -0.049 0.000 1.065 1038 T CA -0.498 61.565 62.100 -0.062 0.000 0.936 1038 T CB 1.168 69.989 68.868 -0.079 0.000 1.415 1038 T HN 0.648 nan 8.240 nan 0.000 0.572 1039 K N -0.235 120.137 120.400 -0.046 0.000 2.116 1039 K HA -0.017 4.303 4.320 -0.000 0.000 0.203 1039 K C 2.471 179.086 176.600 0.026 0.000 1.052 1039 K CA 1.129 57.412 56.287 -0.007 0.000 0.952 1039 K CB -0.336 32.156 32.500 -0.014 0.000 0.729 1039 K HN 0.680 nan 8.250 nan 0.000 0.446 1040 Q N 0.247 120.013 119.800 -0.055 0.000 1.948 1040 Q HA -0.206 4.133 4.340 -0.000 0.000 0.205 1040 Q C 2.021 177.843 176.000 -0.296 0.000 0.992 1040 Q CA 2.267 57.998 55.803 -0.120 0.000 0.849 1040 Q CB -0.454 28.204 28.738 -0.132 0.000 0.918 1040 Q HN 0.433 nan 8.270 nan 0.000 0.421 1041 A N 0.382 122.838 122.820 -0.607 0.000 1.881 1041 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 1041 A C 1.940 179.479 177.584 -0.076 0.000 1.215 1041 A CA 1.990 53.646 52.037 -0.634 0.000 0.648 1041 A CB -1.436 17.315 19.000 -0.416 0.000 0.832 1041 A HN 0.623 nan 8.150 nan 0.000 0.455 1042 F N 1.012 120.887 119.950 -0.125 0.000 2.025 1042 F HA -0.237 4.290 4.527 -0.000 0.000 0.297 1042 F C 2.083 177.886 175.800 0.004 0.000 1.132 1042 F CA 2.486 60.463 58.000 -0.039 0.000 1.191 1042 F CB -0.381 38.596 39.000 -0.038 0.000 0.963 1042 F HN 0.307 nan 8.300 nan 0.000 0.481 1043 D N -1.239 119.293 120.400 0.221 0.000 2.271 1043 D HA -0.251 4.389 4.640 -0.000 0.000 0.207 1043 D C 1.713 178.069 176.300 0.092 0.000 0.983 1043 D CA 1.336 55.411 54.000 0.126 0.000 0.878 1043 D CB -0.441 40.448 40.800 0.148 0.000 0.920 1043 D HN 0.510 nan 8.370 nan 0.000 0.479 1044 W N 0.993 122.234 121.300 -0.098 0.000 2.560 1044 W HA -0.087 4.573 4.660 -0.000 0.000 0.303 1044 W C 2.214 178.666 176.519 -0.112 0.000 1.151 1044 W CA 0.418 57.727 57.345 -0.060 0.000 1.426 1044 W CB -0.576 28.871 29.460 -0.021 0.000 1.135 1044 W HN -0.313 nan 8.180 nan 0.000 0.522 1045 V N 1.984 121.906 119.914 0.013 0.000 2.370 1045 V HA -0.382 3.738 4.120 -0.000 0.000 0.252 1045 V C 2.307 178.188 176.094 -0.356 0.000 1.068 1045 V CA 2.074 64.234 62.300 -0.233 0.000 1.061 1045 V CB -1.140 30.558 31.823 -0.209 0.000 0.656 1045 V HN 0.270 nan 8.190 nan 0.000 0.455 1046 L N -0.434 120.572 121.223 -0.362 0.000 2.005 1046 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 1046 L C 2.737 179.465 176.870 -0.236 0.000 1.072 1046 L CA 1.941 56.587 54.840 -0.324 0.000 0.744 1046 L CB -0.962 40.906 42.059 -0.318 0.000 0.895 1046 L HN 0.466 nan 8.230 nan 0.000 0.433 1047 S N 0.426 115.998 115.700 -0.212 0.000 2.359 1047 S HA -0.259 4.211 4.470 -0.000 0.000 0.222 1047 S C 1.834 176.292 174.600 -0.238 0.000 1.038 1047 S CA 1.901 59.991 58.200 -0.184 0.000 1.051 1047 S CB -0.350 62.760 63.200 -0.151 0.000 0.944 1047 S HN 0.405 nan 8.310 nan 0.000 0.433 1048 N N 1.151 119.611 118.700 -0.400 0.000 2.021 1048 N HA -0.141 4.599 4.740 -0.000 0.000 0.198 1048 N C 1.935 177.312 175.510 -0.222 0.000 1.041 1048 N CA 2.052 54.866 53.050 -0.394 0.000 0.862 1048 N CB -0.616 37.479 38.487 -0.653 0.000 1.048 1048 N HN 0.490 nan 8.380 nan 0.000 0.427 1049 I N 1.383 121.834 120.570 -0.198 0.000 2.087 1049 I HA -0.334 3.836 4.170 -0.000 0.000 0.240 1049 I C 2.640 178.752 176.117 -0.009 0.000 1.054 1049 I CA 1.573 62.832 61.300 -0.068 0.000 1.311 1049 I CB -0.616 37.349 38.000 -0.058 0.000 1.024 1049 I HN 0.339 nan 8.210 nan 0.000 0.402 1050 E N 1.527 121.690 120.200 -0.062 0.000 2.049 1050 E HA -0.286 4.064 4.350 -0.000 0.000 0.198 1050 E C 2.158 178.770 176.600 0.019 0.000 1.007 1050 E CA 2.020 58.395 56.400 -0.042 0.000 0.809 1050 E CB -0.179 29.476 29.700 -0.074 0.000 0.749 1050 E HN 0.474 nan 8.360 nan 0.000 0.450 1051 A N 0.283 123.086 122.820 -0.029 0.000 1.929 1051 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 1051 A C 2.157 179.724 177.584 -0.028 0.000 1.176 1051 A CA 1.444 53.465 52.037 -0.026 0.000 0.628 1051 A CB -0.505 18.461 19.000 -0.056 0.000 0.816 1051 A HN 0.419 nan 8.150 nan 0.000 0.444 1052 Q N -2.065 117.712 119.800 -0.038 0.000 2.291 1052 Q HA -0.101 4.239 4.340 -0.000 0.000 0.205 1052 Q C 1.596 177.568 176.000 -0.045 0.000 0.970 1052 Q CA 1.277 57.050 55.803 -0.050 0.000 0.876 1052 Q CB -0.164 28.541 28.738 -0.056 0.000 0.935 1052 Q HN 0.797 nan 8.270 nan 0.000 0.455 1053 F N -0.107 119.748 119.950 -0.159 0.000 2.123 1053 F HA -0.033 4.494 4.527 -0.000 0.000 0.289 1053 F C 1.447 177.124 175.800 -0.205 0.000 1.099 1053 F CA 0.705 58.578 58.000 -0.213 0.000 1.234 1053 F CB -0.017 38.863 39.000 -0.200 0.000 1.034 1053 F HN -0.073 nan 8.300 nan 0.000 0.479 1054 L N 0.725 122.047 121.223 0.165 0.000 2.661 1054 L HA -0.187 4.153 4.340 -0.000 0.000 0.236 1054 L C 2.129 178.892 176.870 -0.177 0.000 1.176 1054 L CA 0.856 55.709 54.840 0.021 0.000 0.836 1054 L CB -0.549 41.542 42.059 0.053 0.000 0.960 1054 L HN 0.234 nan 8.230 nan 0.000 0.455 1055 R N -1.607 118.742 120.500 -0.252 0.000 2.175 1055 R HA 0.077 4.417 4.340 -0.000 0.000 0.202 1055 R C 2.205 178.112 176.300 -0.654 0.000 1.018 1055 R CA 0.633 56.523 56.100 -0.351 0.000 1.029 1055 R CB 0.031 30.169 30.300 -0.270 0.000 0.959 1055 R HN 0.181 nan 8.270 nan 0.000 0.480 1056 S N 1.009 116.313 115.700 -0.660 0.000 2.515 1056 S HA 0.021 4.491 4.470 -0.000 0.000 0.231 1056 S C 1.134 175.452 174.600 -0.470 0.000 0.987 1056 S CA 0.125 57.929 58.200 -0.659 0.000 0.936 1056 S CB -0.053 62.868 63.200 -0.465 0.000 0.766 1056 S HN -0.023 nan 8.310 nan 0.000 0.528 1057 V N 1.694 121.311 119.914 -0.495 0.000 3.803 1057 V HA 0.018 4.138 4.120 -0.000 0.000 0.300 1057 V C 0.620 176.607 176.094 -0.177 0.000 1.111 1057 V CA -0.072 62.025 62.300 -0.337 0.000 1.189 1057 V CB 0.155 31.808 31.823 -0.284 0.000 1.118 1057 V HN 0.098 nan 8.190 nan 0.000 0.486 1058 V N 0.506 120.379 119.914 -0.069 0.000 2.483 1058 V HA 0.302 4.422 4.120 -0.000 0.000 0.295 1058 V C 0.004 176.095 176.094 -0.004 0.000 1.035 1058 V CA -0.673 61.651 62.300 0.040 0.000 0.896 1058 V CB 1.267 33.186 31.823 0.160 0.000 0.986 1058 V HN 0.769 nan 8.190 nan 0.000 0.447 1059 H N 4.607 123.676 119.070 -0.002 0.000 2.878 1059 H HA 0.175 4.731 4.556 -0.000 0.000 0.290 1059 H C -2.296 173.001 175.328 -0.052 0.000 1.065 1059 H CA -1.529 54.517 56.048 -0.005 0.000 1.477 1059 H CB 1.235 30.998 29.762 0.002 0.000 1.484 1059 H HN 0.384 nan 8.280 nan 0.000 0.504 1060 P HA 0.029 nan 4.420 nan 0.000 0.263 1060 P C 0.792 177.937 177.300 -0.258 0.000 1.247 1060 P CA 0.710 63.712 63.100 -0.163 0.000 0.876 1060 P CB 0.505 32.076 31.700 -0.215 0.000 0.928 1061 G N 2.460 111.129 108.800 -0.219 0.000 3.859 1061 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.198 1061 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.198 1061 G C -0.119 174.678 174.900 -0.172 0.000 0.972 1061 G CA -0.420 44.573 45.100 -0.178 0.000 0.882 1061 G HN 0.374 nan 8.290 nan 0.000 0.364 1062 E N 1.831 121.945 120.200 -0.144 0.000 2.765 1062 E HA 0.031 4.381 4.350 -0.000 0.000 0.256 1062 E C 0.285 176.758 176.600 -0.211 0.000 0.935 1062 E CA 0.523 56.825 56.400 -0.164 0.000 0.954 1062 E CB 0.331 29.924 29.700 -0.177 0.000 0.908 1062 E HN 0.189 nan 8.360 nan 0.000 0.500 1063 M N 4.230 123.723 119.600 -0.178 0.000 3.690 1063 M HA 0.018 4.498 4.480 -0.000 0.000 0.209 1063 M C 1.136 177.333 176.300 -0.171 0.000 1.403 1063 M CA -0.196 55.001 55.300 -0.172 0.000 1.621 1063 M CB -0.507 32.011 32.600 -0.137 0.000 1.056 1063 M HN 0.247 nan 8.290 nan 0.000 0.593 1064 V N 0.686 120.461 119.914 -0.230 0.000 2.439 1064 V HA -0.282 3.838 4.120 -0.000 0.000 0.253 1064 V C 2.366 178.394 176.094 -0.110 0.000 1.074 1064 V CA 2.403 64.563 62.300 -0.233 0.000 1.076 1064 V CB -1.392 30.159 31.823 -0.453 0.000 0.664 1064 V HN 0.775 nan 8.190 nan 0.000 0.461 1065 G N 0.004 108.740 108.800 -0.107 0.000 2.545 1065 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 1065 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 1065 G C 1.650 176.491 174.900 -0.098 0.000 1.218 1065 G CA 1.356 46.405 45.100 -0.084 0.000 0.787 1065 G HN 0.376 nan 8.290 nan 0.000 0.571 1066 V N 1.047 120.894 119.914 -0.111 0.000 2.252 1066 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 1066 V C 2.693 178.715 176.094 -0.121 0.000 1.056 1066 V CA 1.703 63.933 62.300 -0.116 0.000 1.022 1066 V CB -0.713 31.046 31.823 -0.106 0.000 0.641 1066 V HN 0.329 nan 8.190 nan 0.000 0.445 1067 L N 0.834 121.987 121.223 -0.117 0.000 1.957 1067 L HA -0.281 4.059 4.340 -0.000 0.000 0.228 1067 L C 2.601 179.343 176.870 -0.214 0.000 1.086 1067 L CA 2.936 57.691 54.840 -0.143 0.000 0.796 1067 L CB -1.772 40.224 42.059 -0.106 0.000 0.900 1067 L HN 0.338 nan 8.230 nan 0.000 0.439 1068 A N -0.567 122.168 122.820 -0.143 0.000 1.909 1068 A HA -0.316 4.004 4.320 -0.000 0.000 0.221 1068 A C 2.442 179.940 177.584 -0.144 0.000 1.223 1068 A CA 3.448 55.416 52.037 -0.115 0.000 0.658 1068 A CB -1.407 17.656 19.000 0.104 0.000 0.831 1068 A HN 0.758 nan 8.150 nan 0.000 0.462 1069 A N -0.997 121.749 122.820 -0.123 0.000 1.852 1069 A HA -0.313 4.007 4.320 -0.000 0.000 0.217 1069 A C 2.120 179.614 177.584 -0.150 0.000 1.215 1069 A CA 2.124 54.080 52.037 -0.135 0.000 0.641 1069 A CB -0.983 17.927 19.000 -0.152 0.000 0.838 1069 A HN 0.698 nan 8.150 nan 0.000 0.450 1070 Q N -0.419 119.286 119.800 -0.159 0.000 2.029 1070 Q HA -0.199 4.141 4.340 -0.000 0.000 0.209 1070 Q C 2.409 178.298 176.000 -0.185 0.000 0.999 1070 Q CA 1.990 57.695 55.803 -0.164 0.000 0.857 1070 Q CB -0.488 28.168 28.738 -0.137 0.000 0.926 1070 Q HN 0.661 nan 8.270 nan 0.000 0.415 1071 S N 0.589 116.153 115.700 -0.227 0.000 2.428 1071 S HA -0.199 4.271 4.470 -0.000 0.000 0.240 1071 S C 1.856 176.368 174.600 -0.147 0.000 1.036 1071 S CA 1.327 59.383 58.200 -0.240 0.000 1.009 1071 S CB -0.268 62.599 63.200 -0.555 0.000 0.803 1071 S HN 0.298 nan 8.310 nan 0.000 0.486 1072 I N 0.283 120.776 120.570 -0.128 0.000 2.499 1072 I HA 0.065 4.235 4.170 -0.000 0.000 0.243 1072 I C 2.786 178.841 176.117 -0.103 0.000 1.085 1072 I CA 0.786 62.034 61.300 -0.087 0.000 1.422 1072 I CB -1.032 36.929 38.000 -0.065 0.000 1.165 1072 I HN 0.350 nan 8.210 nan 0.000 0.440 1073 G N 0.736 109.466 108.800 -0.118 0.000 2.450 1073 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 1073 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 1073 G C 1.518 176.338 174.900 -0.134 0.000 1.130 1073 G CA 0.635 45.665 45.100 -0.117 0.000 0.760 1073 G HN 0.277 nan 8.290 nan 0.000 0.557 1074 E N 1.085 121.178 120.200 -0.179 0.000 2.005 1074 E HA -0.124 4.226 4.350 -0.000 0.000 0.198 1074 E C 0.111 176.608 176.600 -0.173 0.000 1.010 1074 E CA 1.654 57.907 56.400 -0.246 0.000 0.825 1074 E CB -1.017 28.439 29.700 -0.407 0.000 0.769 1074 E HN 0.354 nan 8.360 nan 0.000 0.456 1075 P HA -0.079 nan 4.420 nan 0.000 0.229 1075 P C 0.453 177.708 177.300 -0.075 0.000 1.150 1075 P CA 1.249 64.298 63.100 -0.086 0.000 0.765 1075 P CB -0.105 31.558 31.700 -0.063 0.000 0.783 1076 A N -0.829 121.941 122.820 -0.083 0.000 2.251 1076 A HA 0.104 4.424 4.320 -0.000 0.000 0.209 1076 A C 1.878 179.427 177.584 -0.058 0.000 1.187 1076 A CA 0.898 52.895 52.037 -0.066 0.000 0.823 1076 A CB -0.807 18.153 19.000 -0.067 0.000 0.846 1076 A HN 0.145 nan 8.150 nan 0.000 0.486 1077 T N -0.814 113.699 114.554 -0.068 0.000 3.000 1077 T HA 0.006 4.356 4.350 -0.000 0.000 0.248 1077 T C 1.607 176.279 174.700 -0.048 0.000 1.034 1077 T CA 0.378 62.444 62.100 -0.057 0.000 1.060 1077 T CB 0.049 68.875 68.868 -0.070 0.000 0.983 1077 T HN 0.382 nan 8.240 nan 0.000 0.482 1078 Q N 0.811 120.580 119.800 -0.051 0.000 2.482 1078 Q HA 0.231 4.570 4.340 -0.000 0.000 0.209 1078 Q C 0.440 176.420 176.000 -0.033 0.000 0.961 1078 Q CA 0.265 56.045 55.803 -0.038 0.000 0.945 1078 Q CB -0.318 28.399 28.738 -0.035 0.000 1.012 1078 Q HN 0.537 nan 8.270 nan 0.000 0.515 1079 M N 1.716 121.295 119.600 -0.036 0.000 2.538 1079 M HA 0.051 4.531 4.480 -0.000 0.000 0.327 1079 M C -0.381 175.903 176.300 -0.027 0.000 1.545 1079 M CA 0.561 55.842 55.300 -0.032 0.000 1.380 1079 M CB 0.061 32.639 32.600 -0.036 0.000 1.657 1079 M HN -0.239 nan 8.290 nan 0.000 0.459 1080 T N 5.502 120.041 114.554 -0.024 0.000 2.929 1080 T HA 0.605 4.955 4.350 -0.000 0.000 0.331 1080 T C -0.032 174.656 174.700 -0.021 0.000 1.120 1080 T CA -0.297 61.789 62.100 -0.023 0.000 0.973 1080 T CB 0.467 69.322 68.868 -0.021 0.000 1.036 1080 T HN 0.501 nan 8.240 nan 0.000 0.502 1093 K N 2.096 122.502 120.400 0.011 0.000 2.679 1093 K HA 0.396 4.716 4.320 -0.000 0.000 0.188 1093 K C -1.070 175.535 176.600 0.009 0.000 1.055 1093 K CA -0.286 56.004 56.287 0.005 0.000 1.006 1093 K CB 1.840 34.340 32.500 0.001 0.000 1.317 1093 K HN -0.173 nan 8.250 nan 0.000 0.584 1094 V N 0.136 120.055 119.914 0.008 0.000 3.188 1094 V HA 0.260 4.380 4.120 -0.000 0.000 0.305 1094 V C -0.103 175.994 176.094 0.006 0.000 1.232 1094 V CA -1.116 61.190 62.300 0.011 0.000 1.043 1094 V CB 2.406 34.241 31.823 0.019 0.000 1.068 1094 V HN 0.511 nan 8.190 nan 0.000 0.439 1095 T N 3.006 117.564 114.554 0.008 0.000 2.792 1095 T HA 0.347 4.697 4.350 -0.000 0.000 0.286 1095 T C 0.062 174.762 174.700 -0.001 0.000 0.970 1095 T CA 0.240 62.343 62.100 0.005 0.000 1.187 1095 T CB -0.142 68.733 68.868 0.011 0.000 0.915 1095 T HN 0.953 nan 8.240 nan 0.000 0.529 1096 S N 1.930 117.626 115.700 -0.007 0.000 2.619 1096 S HA 0.847 5.317 4.470 -0.000 0.000 0.280 1096 S C 0.110 174.698 174.600 -0.021 0.000 1.150 1096 S CA -0.225 57.966 58.200 -0.015 0.000 0.978 1096 S CB 2.015 65.206 63.200 -0.015 0.000 1.041 1096 S HN 1.411 nan 8.310 nan 0.000 0.485 1097 G N 1.537 110.320 108.800 -0.029 0.000 2.384 1097 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.200 1097 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.200 1097 G C 0.335 175.219 174.900 -0.026 0.000 1.205 1097 G CA -0.210 44.871 45.100 -0.032 0.000 1.116 1097 G HN 1.402 nan 8.290 nan 0.000 0.547 1098 V N 3.272 123.173 119.914 -0.021 0.000 2.252 1098 V HA -0.117 4.003 4.120 -0.000 0.000 0.249 1098 V C 0.827 176.922 176.094 0.002 0.000 1.056 1098 V CA 3.334 65.627 62.300 -0.012 0.000 1.022 1098 V CB -1.447 30.370 31.823 -0.010 0.000 0.641 1098 V HN 0.744 nan 8.190 nan 0.000 0.445 1099 P HA -0.212 nan 4.420 nan 0.000 0.219 1099 P C 1.507 178.819 177.300 0.020 0.000 1.146 1099 P CA 1.589 64.699 63.100 0.016 0.000 0.808 1099 P CB -0.025 31.681 31.700 0.010 0.000 0.779 1100 R N 0.717 121.221 120.500 0.008 0.000 2.061 1100 R HA -0.084 4.256 4.340 -0.000 0.000 0.230 1100 R C 2.322 178.627 176.300 0.008 0.000 1.140 1100 R CA 1.163 57.267 56.100 0.006 0.000 0.940 1100 R CB -1.948 28.345 30.300 -0.012 0.000 0.839 1100 R HN 0.076 nan 8.270 nan 0.000 0.429 1101 L N 1.432 122.651 121.223 -0.007 0.000 2.129 1101 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 1101 L C 2.099 178.982 176.870 0.022 0.000 1.087 1101 L CA 2.076 56.910 54.840 -0.009 0.000 0.757 1101 L CB -0.743 41.301 42.059 -0.024 0.000 0.896 1101 L HN 0.361 nan 8.230 nan 0.000 0.434 1102 K N -0.450 119.972 120.400 0.038 0.000 2.002 1102 K HA -0.246 4.074 4.320 -0.000 0.000 0.209 1102 K C 2.094 178.746 176.600 0.087 0.000 1.048 1102 K CA 1.760 58.088 56.287 0.068 0.000 0.930 1102 K CB -0.206 32.338 32.500 0.074 0.000 0.714 1102 K HN 0.477 nan 8.250 nan 0.000 0.438 1103 E N 0.656 120.903 120.200 0.079 0.000 2.048 1103 E HA -0.241 4.109 4.350 -0.000 0.000 0.202 1103 E C 2.033 178.722 176.600 0.149 0.000 1.021 1103 E CA 2.213 58.674 56.400 0.102 0.000 0.825 1103 E CB -0.160 29.591 29.700 0.085 0.000 0.756 1103 E HN 0.316 nan 8.360 nan 0.000 0.454 1104 I N 0.606 121.256 120.570 0.134 0.000 2.087 1104 I HA -0.369 3.801 4.170 -0.000 0.000 0.240 1104 I C 2.498 178.756 176.117 0.234 0.000 1.054 1104 I CA 1.348 62.767 61.300 0.198 0.000 1.311 1104 I CB -0.498 37.515 38.000 0.021 0.000 1.024 1104 I HN 0.225 nan 8.210 nan 0.000 0.402 1105 L N 0.529 121.834 121.223 0.137 0.000 2.127 1105 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 1105 L C 2.066 179.026 176.870 0.150 0.000 1.089 1105 L CA 1.202 56.118 54.840 0.126 0.000 0.757 1105 L CB -0.734 41.367 42.059 0.070 0.000 0.899 1105 L HN 0.385 nan 8.230 nan 0.000 0.434 1106 N N -0.382 118.409 118.700 0.151 0.000 2.494 1106 N HA -0.032 4.708 4.740 -0.000 0.000 0.182 1106 N C 0.572 176.159 175.510 0.127 0.000 1.076 1106 N CA 0.391 53.530 53.050 0.148 0.000 0.908 1106 N CB 0.414 38.985 38.487 0.140 0.000 0.967 1106 N HN 0.014 nan 8.380 nan 0.000 0.449 1107 V N 0.565 120.565 119.914 0.143 0.000 6.078 1107 V HA -0.269 3.851 4.120 -0.000 0.000 0.301 1107 V C 0.432 176.539 176.094 0.022 0.000 0.571 1107 V CA 0.444 62.775 62.300 0.052 0.000 0.625 1107 V CB -2.437 29.387 31.823 0.003 0.000 0.271 1107 V HN 0.413 nan 8.190 nan 0.000 0.788 1108 A N 1.250 124.115 122.820 0.076 0.000 2.354 1108 A HA 0.662 4.982 4.320 -0.000 0.000 0.269 1108 A C 0.968 178.565 177.584 0.023 0.000 1.109 1108 A CA 0.368 52.438 52.037 0.054 0.000 0.800 1108 A CB 0.977 20.025 19.000 0.080 0.000 1.045 1108 A HN 0.603 nan 8.150 nan 0.000 0.489 1109 K N 1.624 122.025 120.400 0.000 0.000 2.137 1109 K HA -0.020 4.300 4.320 -0.000 0.000 0.202 1109 K C 0.190 176.794 176.600 0.006 0.000 1.052 1109 K CA 1.525 57.803 56.287 -0.015 0.000 0.961 1109 K CB 0.097 32.581 32.500 -0.027 0.000 0.741 1109 K HN 0.770 nan 8.250 nan 0.000 0.452 1110 N N 3.071 121.780 118.700 0.015 0.000 3.234 1110 N HA 0.095 4.835 4.740 -0.000 0.000 0.272 1110 N C -0.449 175.080 175.510 0.031 0.000 1.254 1110 N CA -0.130 52.930 53.050 0.018 0.000 1.087 1110 N CB 0.197 38.690 38.487 0.011 0.000 1.356 1110 N HN 0.219 nan 8.380 nan 0.000 0.511 1111 M N -0.737 118.889 119.600 0.043 0.000 2.228 1111 M HA 0.209 4.689 4.480 -0.000 0.000 0.351 1111 M C 0.997 177.317 176.300 0.033 0.000 1.233 1111 M CA -0.196 55.135 55.300 0.052 0.000 1.129 1111 M CB 1.200 33.846 32.600 0.076 0.000 1.604 1111 M HN 0.029 nan 8.290 nan 0.000 0.457 1112 K N 1.042 121.459 120.400 0.029 0.000 2.020 1112 K HA -0.075 4.245 4.320 -0.000 0.000 0.212 1112 K C 0.285 176.894 176.600 0.016 0.000 1.050 1112 K CA 1.547 57.846 56.287 0.019 0.000 0.929 1112 K CB -0.215 32.295 32.500 0.016 0.000 0.714 1112 K HN 0.739 nan 8.250 nan 0.000 0.443 1113 T N 1.798 116.364 114.554 0.019 0.000 2.758 1113 T HA 0.163 4.513 4.350 -0.000 0.000 0.285 1113 T C -2.003 172.709 174.700 0.020 0.000 0.981 1113 T CA -1.393 60.717 62.100 0.017 0.000 0.965 1113 T CB 2.034 70.912 68.868 0.016 0.000 0.927 1113 T HN 0.097 nan 8.240 nan 0.000 0.448 1114 P HA 0.146 nan 4.420 nan 0.000 0.251 1114 P C 0.773 178.074 177.300 0.001 0.000 1.198 1114 P CA 0.091 63.199 63.100 0.012 0.000 0.847 1114 P CB 0.385 32.089 31.700 0.007 0.000 1.082 1115 S N 0.291 115.994 115.700 0.004 0.000 3.060 1115 S HA -0.084 4.386 4.470 -0.000 0.000 0.443 1115 S C -0.178 174.415 174.600 -0.012 0.000 3.093 1115 S CA 1.311 59.514 58.200 0.005 0.000 3.225 1115 S CB -0.752 62.461 63.200 0.022 0.000 0.362 1115 S HN 0.505 nan 8.310 nan 0.000 1.415 1116 L N -1.125 120.096 121.223 -0.004 0.000 4.768 1116 L HA 0.474 4.814 4.340 -0.000 0.000 0.254 1116 L C -0.754 176.121 176.870 0.008 0.000 1.073 1116 L CA -0.083 54.745 54.840 -0.020 0.000 1.079 1116 L CB 0.474 42.516 42.059 -0.029 0.000 1.842 1116 L HN 0.523 nan 8.230 nan 0.000 0.495 1117 T N 3.931 118.507 114.554 0.036 0.000 2.767 1117 T HA 0.753 5.103 4.350 -0.000 0.000 0.284 1117 T C -0.110 174.554 174.700 -0.060 0.000 0.973 1117 T CA -0.029 62.057 62.100 -0.023 0.000 0.996 1117 T CB 1.385 70.257 68.868 0.006 0.000 0.927 1117 T HN 1.150 nan 8.240 nan 0.000 0.456 1118 V N 1.699 121.538 119.914 -0.125 0.000 2.448 1118 V HA 0.684 4.804 4.120 -0.000 0.000 0.295 1118 V C -1.326 174.702 176.094 -0.110 0.000 1.025 1118 V CA -1.206 61.077 62.300 -0.029 0.000 0.859 1118 V CB 0.518 32.355 31.823 0.024 0.000 0.988 1118 V HN 0.720 nan 8.190 nan 0.000 0.431 1119 Y N 3.453 123.808 120.300 0.091 0.000 2.376 1119 Y HA 0.713 5.263 4.550 -0.000 0.000 0.325 1119 Y C 0.570 176.518 175.900 0.079 0.000 1.199 1119 Y CA -0.908 57.244 58.100 0.085 0.000 1.206 1119 Y CB 1.070 39.586 38.460 0.095 0.000 1.229 1119 Y HN 0.534 nan 8.280 nan 0.000 0.480 1120 L N 0.602 121.968 121.223 0.239 0.000 2.347 1120 L HA 0.038 4.378 4.340 -0.000 0.000 0.172 1120 L C 0.476 177.451 176.870 0.175 0.000 1.009 1120 L CA 0.217 55.164 54.840 0.179 0.000 0.974 1120 L CB -0.128 42.040 42.059 0.182 0.000 1.427 1120 L HN 0.634 nan 8.230 nan 0.000 0.507 1121 E N -0.911 119.397 120.200 0.181 0.000 2.214 1121 E HA 0.234 4.584 4.350 -0.000 0.000 0.274 1121 E C -1.838 174.822 176.600 0.101 0.000 0.977 1121 E CA -1.694 54.803 56.400 0.161 0.000 0.827 1121 E CB 1.411 31.255 29.700 0.241 0.000 1.130 1121 E HN 0.213 nan 8.360 nan 0.000 0.394 1122 P HA -0.323 nan 4.420 nan 0.000 0.227 1122 P C 0.966 178.222 177.300 -0.074 0.000 0.791 1122 P CA 2.308 65.393 63.100 -0.025 0.000 1.075 1122 P CB -0.075 31.599 31.700 -0.044 0.000 0.728 1123 G N -1.308 107.371 108.800 -0.201 0.000 2.418 1123 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 1123 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 1123 G C 0.358 175.132 174.900 -0.211 0.000 1.158 1123 G CA 0.669 45.617 45.100 -0.253 0.000 0.771 1123 G HN 0.460 nan 8.290 nan 0.000 0.545 1124 H N 0.926 120.020 119.070 0.040 0.000 3.160 1124 H HA 0.490 5.046 4.556 -0.000 0.000 0.257 1124 H C 0.770 176.143 175.328 0.076 0.000 1.140 1124 H CA 0.376 56.453 56.048 0.048 0.000 1.492 1124 H CB 0.643 30.427 29.762 0.036 0.000 1.529 1124 H HN 0.286 nan 8.280 nan 0.000 0.490 1125 A N 3.028 125.953 122.820 0.175 0.000 1.761 1125 A HA 0.387 4.707 4.320 -0.000 0.000 0.168 1125 A C 1.949 179.689 177.584 0.261 0.000 1.884 1125 A CA 0.423 52.575 52.037 0.192 0.000 1.217 1125 A CB -0.717 18.364 19.000 0.135 0.000 0.934 1125 A HN 0.532 nan 8.150 nan 0.000 0.682 1126 A N 0.137 123.088 122.820 0.219 0.000 2.234 1126 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 1126 A C 0.503 178.238 177.584 0.251 0.000 1.167 1126 A CA 1.086 53.289 52.037 0.275 0.000 0.698 1126 A CB -0.698 18.404 19.000 0.170 0.000 0.779 1126 A HN 0.410 nan 8.150 nan 0.000 0.475 1127 D N 0.351 120.848 120.400 0.162 0.000 2.482 1127 D HA 0.074 4.714 4.640 -0.000 0.000 0.244 1127 D C 1.456 177.693 176.300 -0.104 0.000 1.242 1127 D CA 0.245 54.276 54.000 0.051 0.000 1.097 1127 D CB 0.485 41.325 40.800 0.066 0.000 1.109 1127 D HN 0.529 nan 8.370 nan 0.000 0.510 1128 Q N 2.590 122.266 119.800 -0.207 0.000 2.065 1128 Q HA -0.290 4.050 4.340 -0.000 0.000 0.213 1128 Q C 1.637 177.340 176.000 -0.496 0.000 1.012 1128 Q CA 2.221 57.669 55.803 -0.590 0.000 0.876 1128 Q CB -0.128 28.395 28.738 -0.358 0.000 0.954 1128 Q HN 0.580 nan 8.270 nan 0.000 0.413 1129 E N -1.006 119.029 120.200 -0.274 0.000 2.051 1129 E HA -0.296 4.054 4.350 -0.000 0.000 0.192 1129 E C 2.021 178.508 176.600 -0.188 0.000 0.991 1129 E CA 1.198 57.469 56.400 -0.214 0.000 0.799 1129 E CB -0.246 29.371 29.700 -0.138 0.000 0.748 1129 E HN 0.482 nan 8.360 nan 0.000 0.449 1130 Q N 0.781 120.493 119.800 -0.146 0.000 2.268 1130 Q HA -0.276 4.064 4.340 -0.000 0.000 0.213 1130 Q C 1.639 177.570 176.000 -0.115 0.000 0.995 1130 Q CA 2.193 57.927 55.803 -0.115 0.000 0.901 1130 Q CB -0.556 28.145 28.738 -0.062 0.000 0.921 1130 Q HN 0.376 nan 8.270 nan 0.000 0.421 1131 A N 0.380 123.102 122.820 -0.163 0.000 1.835 1131 A HA -0.239 4.081 4.320 -0.000 0.000 0.215 1131 A C 1.953 179.457 177.584 -0.134 0.000 1.199 1131 A CA 1.849 53.801 52.037 -0.142 0.000 0.615 1131 A CB -0.646 18.208 19.000 -0.244 0.000 0.838 1131 A HN 0.462 nan 8.150 nan 0.000 0.444 1132 K N -0.413 119.878 120.400 -0.183 0.000 2.030 1132 K HA -0.239 4.081 4.320 -0.000 0.000 0.222 1132 K C 1.789 178.321 176.600 -0.113 0.000 1.056 1132 K CA 1.956 58.150 56.287 -0.154 0.000 0.957 1132 K CB -0.809 31.590 32.500 -0.169 0.000 0.727 1132 K HN 0.448 nan 8.250 nan 0.000 0.452 1133 L N 0.680 121.838 121.223 -0.108 0.000 2.230 1133 L HA -0.268 4.072 4.340 -0.000 0.000 0.217 1133 L C 2.185 179.014 176.870 -0.068 0.000 1.090 1133 L CA 1.276 56.064 54.840 -0.086 0.000 0.771 1133 L CB -0.584 41.421 42.059 -0.091 0.000 0.892 1133 L HN 0.311 nan 8.230 nan 0.000 0.438 1134 I N -2.117 118.416 120.570 -0.063 0.000 2.927 1134 I HA -0.090 4.080 4.170 -0.000 0.000 0.268 1134 I C 2.626 178.725 176.117 -0.030 0.000 1.153 1134 I CA 0.164 61.441 61.300 -0.038 0.000 1.459 1134 I CB -0.401 37.584 38.000 -0.025 0.000 1.149 1134 I HN 0.140 nan 8.210 nan 0.000 0.443 1135 R N 2.310 122.785 120.500 -0.041 0.000 2.122 1135 R HA -0.227 4.113 4.340 -0.000 0.000 0.236 1135 R C 2.081 178.369 176.300 -0.019 0.000 1.129 1135 R CA 2.653 58.736 56.100 -0.027 0.000 0.925 1135 R CB -0.577 29.688 30.300 -0.058 0.000 0.850 1135 R HN 0.441 nan 8.270 nan 0.000 0.431 1136 S N -0.722 114.950 115.700 -0.045 0.000 2.805 1136 S HA 0.114 4.583 4.470 -0.000 0.000 0.230 1136 S C 1.213 175.796 174.600 -0.028 0.000 0.968 1136 S CA 0.474 58.650 58.200 -0.039 0.000 0.976 1136 S CB 0.470 63.632 63.200 -0.063 0.000 0.787 1136 S HN 0.524 nan 8.310 nan 0.000 0.533 1137 A N 0.475 123.283 122.820 -0.019 0.000 2.324 1137 A HA 0.545 4.865 4.320 -0.000 0.000 0.220 1137 A C 1.579 179.165 177.584 0.004 0.000 1.209 1137 A CA -0.071 51.959 52.037 -0.013 0.000 0.918 1137 A CB 0.004 18.993 19.000 -0.018 0.000 0.959 1137 A HN 0.562 nan 8.150 nan 0.000 0.507 1138 I N -1.091 119.487 120.570 0.014 0.000 3.393 1138 I HA 0.107 4.277 4.170 -0.000 0.000 0.250 1138 I C 0.937 177.085 176.117 0.051 0.000 1.122 1138 I CA -0.118 61.199 61.300 0.029 0.000 1.484 1138 I CB -0.491 37.525 38.000 0.027 0.000 1.468 1138 I HN 0.293 nan 8.210 nan 0.000 0.461 1139 E N 2.602 122.835 120.200 0.055 0.000 2.975 1139 E HA -0.251 4.099 4.350 -0.000 0.000 0.269 1139 E C -0.148 176.513 176.600 0.102 0.000 0.905 1139 E CA 0.345 56.794 56.400 0.081 0.000 0.967 1139 E CB 0.164 29.915 29.700 0.085 0.000 0.925 1139 E HN 0.210 nan 8.360 nan 0.000 0.507 1140 H N 3.089 122.164 119.070 0.009 0.000 2.690 1140 H HA 0.270 4.826 4.556 -0.000 0.000 0.314 1140 H C -1.085 174.244 175.328 0.003 0.000 1.069 1140 H CA 0.204 56.252 56.048 0.001 0.000 1.436 1140 H CB 0.872 30.632 29.762 -0.002 0.000 1.462 1140 H HN 0.380 nan 8.280 nan 0.000 0.511 1141 T N 4.864 119.208 114.554 -0.350 0.000 2.879 1141 T HA 0.347 4.697 4.350 -0.000 0.000 0.290 1141 T C -0.719 173.771 174.700 -0.350 0.000 0.993 1141 T CA -0.870 61.076 62.100 -0.257 0.000 0.975 1141 T CB 1.012 69.807 68.868 -0.121 0.000 0.981 1141 T HN 0.721 nan 8.240 nan 0.000 0.439 1142 T N 0.984 115.386 114.554 -0.253 0.000 2.885 1142 T HA 0.483 4.833 4.350 -0.000 0.000 0.285 1142 T C 1.216 175.857 174.700 -0.099 0.000 1.019 1142 T CA -0.926 61.065 62.100 -0.182 0.000 1.010 1142 T CB 1.434 70.226 68.868 -0.125 0.000 1.022 1142 T HN 0.243 nan 8.240 nan 0.000 0.466 1143 L N 1.720 122.898 121.223 -0.076 0.000 2.051 1143 L HA -0.103 4.237 4.340 -0.000 0.000 0.214 1143 L C 2.538 179.388 176.870 -0.033 0.000 1.076 1143 L CA 2.032 56.842 54.840 -0.051 0.000 0.758 1143 L CB -0.921 41.119 42.059 -0.032 0.000 0.890 1143 L HN 0.946 nan 8.230 nan 0.000 0.433 1144 K N -0.852 119.533 120.400 -0.024 0.000 2.173 1144 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 1144 K C 2.058 178.651 176.600 -0.011 0.000 1.046 1144 K CA 1.791 58.072 56.287 -0.010 0.000 0.929 1144 K CB -0.182 32.317 32.500 -0.002 0.000 0.720 1144 K HN 0.702 nan 8.250 nan 0.000 0.453 1145 S N -0.211 115.475 115.700 -0.022 0.000 2.387 1145 S HA -0.089 4.381 4.470 -0.000 0.000 0.226 1145 S C 1.866 176.458 174.600 -0.013 0.000 1.026 1145 S CA 0.974 59.164 58.200 -0.016 0.000 0.972 1145 S CB -0.247 62.939 63.200 -0.023 0.000 0.814 1145 S HN 0.239 nan 8.310 nan 0.000 0.477 1146 V N -0.902 118.999 119.914 -0.022 0.000 3.647 1146 V HA 0.272 4.392 4.120 -0.000 0.000 0.279 1146 V C 0.486 176.571 176.094 -0.015 0.000 1.314 1146 V CA -0.037 62.251 62.300 -0.020 0.000 1.125 1146 V CB -1.124 30.679 31.823 -0.033 0.000 0.907 1146 V HN 0.302 nan 8.190 nan 0.000 0.434 1147 T N 1.371 115.919 114.554 -0.010 0.000 2.817 1147 T HA 0.562 4.912 4.350 -0.000 0.000 0.293 1147 T C 1.081 175.783 174.700 0.004 0.000 0.964 1147 T CA -0.014 62.084 62.100 -0.003 0.000 1.085 1147 T CB 2.037 70.905 68.868 0.001 0.000 0.921 1147 T HN 0.176 nan 8.240 nan 0.000 0.502 1148 I N 1.271 121.846 120.570 0.008 0.000 2.628 1148 I HA 0.339 4.509 4.170 -0.000 0.000 0.255 1148 I C 1.106 177.234 176.117 0.020 0.000 1.119 1148 I CA 0.238 61.546 61.300 0.013 0.000 1.448 1148 I CB 0.178 38.186 38.000 0.014 0.000 1.133 1148 I HN 0.639 nan 8.210 nan 0.000 0.438 1149 A N 0.135 122.969 122.820 0.024 0.000 2.594 1149 A HA 0.580 4.899 4.320 -0.000 0.000 0.296 1149 A C -0.699 176.908 177.584 0.039 0.000 1.056 1149 A CA -0.431 51.626 52.037 0.033 0.000 0.693 1149 A CB 1.091 20.116 19.000 0.041 0.000 1.278 1149 A HN 0.103 nan 8.150 nan 0.000 0.408 1150 S N 0.663 116.390 115.700 0.045 0.000 2.568 1150 S HA 0.921 5.391 4.470 -0.000 0.000 0.302 1150 S C -0.627 174.024 174.600 0.085 0.000 1.082 1150 S CA -0.510 57.721 58.200 0.052 0.000 1.009 1150 S CB 1.819 65.043 63.200 0.040 0.000 1.069 1150 S HN 0.741 nan 8.310 nan 0.000 0.500 1151 E N 0.301 120.571 120.200 0.118 0.000 2.392 1151 E HA 0.467 4.817 4.350 -0.000 0.000 0.279 1151 E C -1.388 175.361 176.600 0.249 0.000 0.964 1151 E CA -0.683 55.844 56.400 0.213 0.000 0.777 1151 E CB 2.133 32.072 29.700 0.398 0.000 1.249 1151 E HN 0.705 nan 8.360 nan 0.000 0.449 1152 I N 2.062 122.794 120.570 0.271 0.000 2.464 1152 I HA 0.362 4.532 4.170 -0.000 0.000 0.277 1152 I C -0.939 175.432 176.117 0.424 0.000 1.040 1152 I CA -0.767 60.699 61.300 0.276 0.000 1.153 1152 I CB 0.063 38.124 38.000 0.102 0.000 1.274 1152 I HN 0.327 nan 8.210 nan 0.000 0.469 1153 Y N 3.858 124.286 120.300 0.213 0.000 2.408 1153 Y HA 0.309 4.859 4.550 -0.000 0.000 0.324 1153 Y C -0.296 175.834 175.900 0.383 0.000 1.302 1153 Y CA -0.836 57.414 58.100 0.250 0.000 1.384 1153 Y CB 0.650 39.194 38.460 0.141 0.000 1.367 1153 Y HN 0.400 nan 8.280 nan 0.000 0.525 1154 Y N 1.759 122.247 120.300 0.314 0.000 2.587 1154 Y HA 0.322 4.872 4.550 -0.000 0.000 0.328 1154 Y C -1.041 174.857 175.900 -0.003 0.000 0.980 1154 Y CA -0.871 57.248 58.100 0.031 0.000 1.272 1154 Y CB 0.293 38.693 38.460 -0.100 0.000 1.094 1154 Y HN 0.492 nan 8.280 nan 0.000 0.503 1155 D N 8.294 128.427 120.400 -0.444 0.000 2.440 1155 D HA 0.239 4.879 4.640 -0.000 0.000 0.252 1155 D C -2.237 173.777 176.300 -0.477 0.000 1.180 1155 D CA -1.519 52.281 54.000 -0.334 0.000 0.894 1155 D CB 2.429 43.168 40.800 -0.103 0.000 1.111 1155 D HN 0.294 nan 8.370 nan 0.000 0.544 1156 P HA 0.044 nan 4.420 nan 0.000 0.239 1156 P C 0.144 177.322 177.300 -0.204 0.000 1.188 1156 P CA 0.175 63.020 63.100 -0.425 0.000 0.794 1156 P CB 0.838 32.285 31.700 -0.421 0.000 0.937 1157 D N 2.234 122.547 120.400 -0.145 0.000 2.468 1157 D HA 0.120 4.760 4.640 -0.000 0.000 0.218 1157 D C -1.341 174.931 176.300 -0.046 0.000 1.155 1157 D CA -2.455 51.500 54.000 -0.076 0.000 0.924 1157 D CB 0.561 41.330 40.800 -0.052 0.000 1.029 1157 D HN 0.069 nan 8.370 nan 0.000 0.515 1158 P HA -0.104 nan 4.420 nan 0.000 0.249 1158 P C 0.323 177.668 177.300 0.075 0.000 1.227 1158 P CA 0.501 63.609 63.100 0.013 0.000 0.753 1158 P CB 0.208 31.899 31.700 -0.014 0.000 0.966 1159 R N -0.567 119.961 120.500 0.046 0.000 2.509 1159 R HA 0.210 4.550 4.340 -0.000 0.000 0.297 1159 R C 0.123 176.428 176.300 0.009 0.000 0.951 1159 R CA 0.157 56.290 56.100 0.055 0.000 1.103 1159 R CB 0.667 30.976 30.300 0.015 0.000 1.283 1159 R HN 0.191 nan 8.270 nan 0.000 0.534 1160 S N -0.709 114.994 115.700 0.006 0.000 2.586 1160 S HA 0.220 4.690 4.470 -0.000 0.000 0.296 1160 S C -0.736 173.860 174.600 -0.007 0.000 1.120 1160 S CA -0.821 57.376 58.200 -0.005 0.000 0.927 1160 S CB 1.936 65.125 63.200 -0.018 0.000 1.114 1160 S HN -0.096 nan 8.310 nan 0.000 0.453 1161 T N 2.723 117.277 114.554 -0.001 0.000 2.875 1161 T HA 0.378 4.728 4.350 -0.000 0.000 0.284 1161 T C 1.344 176.054 174.700 0.016 0.000 0.995 1161 T CA -0.579 61.520 62.100 -0.001 0.000 1.060 1161 T CB 1.389 70.250 68.868 -0.011 0.000 0.967 1161 T HN 0.690 nan 8.240 nan 0.000 0.476 1162 V N 3.053 122.990 119.914 0.038 0.000 3.383 1162 V HA 0.047 4.167 4.120 -0.000 0.000 0.272 1162 V C 0.645 176.792 176.094 0.088 0.000 1.181 1162 V CA 1.026 63.366 62.300 0.066 0.000 1.171 1162 V CB -1.268 30.614 31.823 0.097 0.000 0.800 1162 V HN 0.646 nan 8.190 nan 0.000 0.515 1163 I N 1.552 122.165 120.570 0.071 0.000 2.404 1163 I HA 0.294 4.464 4.170 -0.000 0.000 0.293 1163 I C -0.942 175.195 176.117 0.034 0.000 0.992 1163 I CA -2.124 59.218 61.300 0.071 0.000 1.149 1163 I CB 1.843 39.865 38.000 0.037 0.000 1.315 1163 I HN -0.056 nan 8.210 nan 0.000 0.446 1164 P HA -0.188 nan 4.420 nan 0.000 0.205 1164 P C 0.922 178.231 177.300 0.015 0.000 1.193 1164 P CA 1.585 64.700 63.100 0.024 0.000 0.929 1164 P CB 0.134 31.851 31.700 0.028 0.000 0.772 1165 E N -0.282 119.928 120.200 0.017 0.000 2.370 1165 E HA -0.229 4.121 4.350 -0.000 0.000 0.205 1165 E C 1.244 177.846 176.600 0.003 0.000 1.037 1165 E CA 1.569 57.975 56.400 0.011 0.000 0.845 1165 E CB -0.630 29.078 29.700 0.013 0.000 0.753 1165 E HN 0.385 nan 8.360 nan 0.000 0.507 1166 D N -0.258 120.139 120.400 -0.005 0.000 2.367 1166 D HA -0.003 4.637 4.640 -0.000 0.000 0.207 1166 D C 1.308 177.608 176.300 0.000 0.000 1.034 1166 D CA 0.132 54.125 54.000 -0.012 0.000 0.861 1166 D CB 0.187 40.964 40.800 -0.039 0.000 0.943 1166 D HN 0.182 nan 8.370 nan 0.000 0.515 1167 E N 0.810 121.012 120.200 0.004 0.000 2.065 1167 E HA -0.288 4.062 4.350 -0.000 0.000 0.201 1167 E C 1.727 178.333 176.600 0.010 0.000 1.016 1167 E CA 1.066 57.469 56.400 0.005 0.000 0.818 1167 E CB -0.054 29.647 29.700 0.001 0.000 0.749 1167 E HN 0.392 nan 8.360 nan 0.000 0.453 1168 E N 0.607 120.813 120.200 0.011 0.000 2.160 1168 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 1168 E C 1.954 178.573 176.600 0.031 0.000 0.991 1168 E CA 0.852 57.261 56.400 0.016 0.000 0.810 1168 E CB -0.067 29.641 29.700 0.014 0.000 0.742 1168 E HN 0.293 nan 8.360 nan 0.000 0.466 1169 I N 0.542 121.132 120.570 0.034 0.000 2.676 1169 I HA -0.194 3.975 4.170 -0.000 0.000 0.259 1169 I C 1.882 178.053 176.117 0.091 0.000 1.194 1169 I CA 0.496 61.825 61.300 0.047 0.000 1.473 1169 I CB -0.128 37.885 38.000 0.022 0.000 1.096 1169 I HN 0.185 nan 8.210 nan 0.000 0.443 1170 I N 0.028 120.664 120.570 0.109 0.000 2.385 1170 I HA -0.164 4.006 4.170 -0.000 0.000 0.244 1170 I C 2.393 178.702 176.117 0.319 0.000 1.089 1170 I CA 0.738 62.173 61.300 0.225 0.000 1.410 1170 I CB -0.742 37.363 38.000 0.175 0.000 1.117 1170 I HN 0.094 nan 8.210 nan 0.000 0.429 1171 Q N 1.493 121.354 119.800 0.101 0.000 2.173 1171 Q HA -0.177 4.163 4.340 -0.000 0.000 0.208 1171 Q C 2.195 178.266 176.000 0.118 0.000 0.989 1171 Q CA 1.516 57.312 55.803 -0.013 0.000 0.872 1171 Q CB -0.369 28.338 28.738 -0.051 0.000 0.909 1171 Q HN 0.564 nan 8.270 nan 0.000 0.420 1172 L N -0.364 120.940 121.223 0.135 0.000 2.552 1172 L HA -0.018 4.322 4.340 -0.000 0.000 0.227 1172 L C 1.213 178.132 176.870 0.082 0.000 1.146 1172 L CA 0.264 55.156 54.840 0.086 0.000 0.858 1172 L CB -0.121 41.955 42.059 0.030 0.000 0.969 1172 L HN 0.268 nan 8.230 nan 0.000 0.451 1173 H N -0.602 118.597 119.070 0.216 0.000 2.452 1173 H HA 0.195 4.751 4.556 -0.000 0.000 0.240 1173 H C -0.191 175.078 175.328 -0.099 0.000 1.498 1173 H CA 0.004 56.072 56.048 0.033 0.000 1.142 1173 H CB 0.328 30.018 29.762 -0.120 0.000 1.599 1173 H HN 0.176 nan 8.280 nan 0.000 0.527 1174 F N -1.374 118.569 119.950 -0.011 0.000 2.897 1174 F HA 0.029 4.556 4.527 -0.000 0.000 0.377 1174 F C 1.272 177.052 175.800 -0.033 0.000 0.917 1174 F CA -0.208 57.795 58.000 0.005 0.000 1.079 1174 F CB 0.319 39.324 39.000 0.009 0.000 1.068 1174 F HN 0.066 nan 8.300 nan 0.000 0.581 1175 S N 0.888 116.648 115.700 0.100 0.000 2.758 1175 S HA 0.741 5.210 4.470 -0.000 0.000 0.292 1175 S C -0.145 174.431 174.600 -0.040 0.000 1.131 1175 S CA -0.718 57.498 58.200 0.026 0.000 0.997 1175 S CB 1.344 64.558 63.200 0.023 0.000 1.111 1175 S HN 0.064 nan 8.310 nan 0.000 0.552 1188 Q N 1.410 121.164 119.800 -0.076 0.000 2.256 1188 Q HA 0.612 4.952 4.340 -0.000 0.000 0.232 1188 Q C -0.793 175.192 176.000 -0.025 0.000 0.965 1188 Q CA -0.276 55.494 55.803 -0.055 0.000 0.908 1188 Q CB 1.771 30.453 28.738 -0.093 0.000 1.209 1188 Q HN 0.282 nan 8.270 nan 0.000 0.489 1189 S N 0.546 116.253 115.700 0.011 0.000 2.616 1189 S HA 0.318 4.788 4.470 -0.000 0.000 0.277 1189 S C -1.844 172.741 174.600 -0.026 0.000 1.234 1189 S CA -1.760 56.459 58.200 0.030 0.000 1.028 1189 S CB 0.670 63.943 63.200 0.122 0.000 0.988 1189 S HN 0.474 nan 8.310 nan 0.000 0.522 1190 P HA 0.090 nan 4.420 nan 0.000 0.245 1190 P C -0.424 176.654 177.300 -0.371 0.000 1.206 1190 P CA 0.087 62.979 63.100 -0.346 0.000 0.781 1190 P CB -0.027 31.347 31.700 -0.542 0.000 0.994 1191 W N 1.212 122.487 121.300 -0.043 0.000 2.481 1191 W HA 0.300 4.960 4.660 -0.000 0.000 0.320 1191 W C 0.410 176.937 176.519 0.013 0.000 1.209 1191 W CA -0.931 56.427 57.345 0.021 0.000 1.400 1191 W CB 0.338 29.841 29.460 0.071 0.000 1.361 1191 W HN -0.091 nan 8.180 nan 0.000 0.456 1192 L N 5.570 126.997 121.223 0.339 0.000 2.357 1192 L HA 0.569 4.909 4.340 -0.000 0.000 0.273 1192 L C -0.870 176.116 176.870 0.194 0.000 1.080 1192 L CA -0.736 54.221 54.840 0.195 0.000 0.803 1192 L CB 0.864 42.995 42.059 0.121 0.000 1.174 1192 L HN 0.294 nan 8.230 nan 0.000 0.443 1193 L N 5.056 126.335 121.223 0.093 0.000 2.376 1193 L HA 0.606 4.946 4.340 -0.000 0.000 0.275 1193 L C -1.016 175.861 176.870 0.012 0.000 0.987 1193 L CA -0.371 54.507 54.840 0.064 0.000 0.828 1193 L CB 1.344 43.420 42.059 0.028 0.000 1.249 1193 L HN 0.765 nan 8.230 nan 0.000 0.409 1194 R N 5.082 125.587 120.500 0.008 0.000 2.513 1194 R HA 0.761 5.101 4.340 -0.000 0.000 0.301 1194 R C -1.861 174.435 176.300 -0.007 0.000 0.968 1194 R CA -0.571 55.502 56.100 -0.045 0.000 0.872 1194 R CB 1.242 31.434 30.300 -0.180 0.000 1.177 1194 R HN 0.764 nan 8.270 nan 0.000 0.444 1195 L N 3.375 124.595 121.223 -0.006 0.000 2.325 1195 L HA 0.450 4.790 4.340 -0.000 0.000 0.281 1195 L C -0.254 176.619 176.870 0.005 0.000 1.004 1195 L CA -0.586 54.259 54.840 0.008 0.000 0.823 1195 L CB 1.916 43.981 42.059 0.010 0.000 1.236 1195 L HN 0.622 nan 8.230 nan 0.000 0.415 1196 E N 4.534 124.740 120.200 0.011 0.000 2.055 1196 E HA 0.421 4.770 4.350 -0.000 0.000 0.274 1196 E C -1.016 175.589 176.600 0.008 0.000 0.949 1196 E CA -0.532 55.874 56.400 0.011 0.000 0.775 1196 E CB 0.961 30.671 29.700 0.018 0.000 1.097 1196 E HN 0.497 nan 8.360 nan 0.000 0.404 1197 L N 2.615 123.840 121.223 0.003 0.000 2.439 1197 L HA 0.315 4.655 4.340 -0.000 0.000 0.259 1197 L C 0.485 177.354 176.870 -0.002 0.000 1.129 1197 L CA -0.689 54.148 54.840 -0.004 0.000 0.803 1197 L CB 0.696 42.746 42.059 -0.016 0.000 1.161 1197 L HN 0.478 nan 8.230 nan 0.000 0.462 1198 D N 0.485 120.882 120.400 -0.005 0.000 2.274 1198 D HA 0.149 4.789 4.640 -0.000 0.000 0.239 1198 D C 0.811 177.107 176.300 -0.006 0.000 1.104 1198 D CA -0.183 53.816 54.000 -0.002 0.000 0.840 1198 D CB 1.503 42.303 40.800 -0.000 0.000 1.100 1198 D HN 0.382 nan 8.370 nan 0.000 0.477 1199 R N 2.768 123.266 120.500 -0.003 0.000 2.082 1199 R HA -0.187 4.153 4.340 -0.000 0.000 0.234 1199 R C 1.956 178.252 176.300 -0.007 0.000 1.136 1199 R CA 1.807 57.904 56.100 -0.006 0.000 0.935 1199 R CB -0.181 30.118 30.300 -0.002 0.000 0.842 1199 R HN 0.579 nan 8.270 nan 0.000 0.430 1200 A N 0.891 123.709 122.820 -0.004 0.000 1.863 1200 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 1200 A C 2.347 179.929 177.584 -0.003 0.000 1.233 1200 A CA 2.414 54.449 52.037 -0.002 0.000 0.655 1200 A CB -1.317 17.684 19.000 0.002 0.000 0.839 1200 A HN 0.558 nan 8.150 nan 0.000 0.454 1201 A N -1.884 120.935 122.820 -0.001 0.000 2.084 1201 A HA -0.141 4.179 4.320 -0.000 0.000 0.221 1201 A C 2.001 179.578 177.584 -0.012 0.000 1.161 1201 A CA 2.018 54.054 52.037 -0.001 0.000 0.653 1201 A CB -0.485 18.514 19.000 -0.002 0.000 0.802 1201 A HN 0.482 nan 8.150 nan 0.000 0.457 1202 M N -0.335 119.254 119.600 -0.018 0.000 2.558 1202 M HA 0.029 4.509 4.480 -0.000 0.000 0.255 1202 M C 1.043 177.324 176.300 -0.032 0.000 1.113 1202 M CA 0.691 55.974 55.300 -0.030 0.000 1.097 1202 M CB -0.966 31.615 32.600 -0.031 0.000 1.426 1202 M HN 0.426 nan 8.290 nan 0.000 0.488 1203 N N -0.098 118.586 118.700 -0.026 0.000 2.482 1203 N HA -0.081 4.658 4.740 -0.000 0.000 0.179 1203 N C 1.351 176.838 175.510 -0.037 0.000 1.039 1203 N CA 0.461 53.493 53.050 -0.031 0.000 0.884 1203 N CB 0.047 38.519 38.487 -0.025 0.000 1.113 1203 N HN 0.336 nan 8.380 nan 0.000 0.440 1204 D N 1.597 121.983 120.400 -0.023 0.000 2.127 1204 D HA -0.141 4.498 4.640 -0.000 0.000 0.190 1204 D C -0.164 176.107 176.300 -0.048 0.000 1.000 1204 D CA 1.250 55.239 54.000 -0.018 0.000 0.839 1204 D CB 0.231 41.049 40.800 0.030 0.000 0.955 1204 D HN 0.198 nan 8.370 nan 0.000 0.446 1205 K N 1.779 122.162 120.400 -0.029 0.000 2.347 1205 K HA 0.152 4.472 4.320 -0.000 0.000 0.262 1205 K C -0.759 175.809 176.600 -0.053 0.000 1.052 1205 K CA -0.655 55.608 56.287 -0.041 0.000 0.946 1205 K CB 1.595 34.086 32.500 -0.015 0.000 1.220 1205 K HN 0.010 nan 8.250 nan 0.000 0.450 1206 D N 3.425 123.785 120.400 -0.066 0.000 2.982 1206 D HA -0.110 4.530 4.640 -0.000 0.000 0.222 1206 D C -0.312 175.951 176.300 -0.061 0.000 1.124 1206 D CA 1.294 55.256 54.000 -0.063 0.000 0.810 1206 D CB 0.395 41.155 40.800 -0.067 0.000 1.152 1206 D HN 0.359 nan 8.370 nan 0.000 0.538 1207 L N 1.924 123.111 121.223 -0.060 0.000 2.556 1207 L HA 0.337 4.677 4.340 -0.000 0.000 0.257 1207 L C -0.299 176.528 176.870 -0.072 0.000 0.955 1207 L CA -0.641 54.156 54.840 -0.071 0.000 0.850 1207 L CB 2.645 44.659 42.059 -0.074 0.000 1.398 1207 L HN 0.147 nan 8.230 nan 0.000 0.412 1208 T N 1.514 116.012 114.554 -0.093 0.000 2.916 1208 T HA 0.304 4.654 4.350 -0.000 0.000 0.298 1208 T C 0.926 175.525 174.700 -0.169 0.000 1.031 1208 T CA -0.678 61.363 62.100 -0.097 0.000 0.993 1208 T CB 1.921 70.744 68.868 -0.074 0.000 1.045 1208 T HN 0.418 nan 8.240 nan 0.000 0.454 1209 M N 1.627 121.114 119.600 -0.187 0.000 2.103 1209 M HA -0.113 4.367 4.480 -0.000 0.000 0.255 1209 M C 2.488 178.403 176.300 -0.642 0.000 1.074 1209 M CA 2.263 57.341 55.300 -0.370 0.000 1.090 1209 M CB -2.034 30.397 32.600 -0.281 0.000 1.325 1209 M HN 0.852 nan 8.290 nan 0.000 0.403 1210 G N 0.210 108.755 108.800 -0.424 0.000 2.631 1210 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.219 1210 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.219 1210 G C 1.468 176.135 174.900 -0.389 0.000 1.214 1210 G CA 1.415 46.304 45.100 -0.352 0.000 0.785 1210 G HN 0.609 nan 8.290 nan 0.000 0.596 1211 Q N -0.204 119.449 119.800 -0.245 0.000 1.985 1211 Q HA -0.145 4.195 4.340 -0.000 0.000 0.207 1211 Q C 2.876 178.724 176.000 -0.253 0.000 0.996 1211 Q CA 1.950 57.637 55.803 -0.194 0.000 0.851 1211 Q CB -0.671 27.985 28.738 -0.137 0.000 0.921 1211 Q HN 0.371 nan 8.270 nan 0.000 0.418 1212 V N 0.959 120.701 119.914 -0.286 0.000 2.232 1212 V HA -0.354 3.766 4.120 -0.000 0.000 0.251 1212 V C 2.256 178.150 176.094 -0.332 0.000 1.048 1212 V CA 2.271 64.407 62.300 -0.274 0.000 1.029 1212 V CB -1.683 29.973 31.823 -0.278 0.000 0.658 1212 V HN 0.664 nan 8.190 nan 0.000 0.464 1213 G N -0.853 107.585 108.800 -0.604 0.000 2.514 1213 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 1213 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 1213 G C 1.417 176.097 174.900 -0.366 0.000 1.198 1213 G CA 1.042 45.755 45.100 -0.647 0.000 0.780 1213 G HN 0.555 nan 8.290 nan 0.000 0.565 1214 E N 0.108 120.049 120.200 -0.432 0.000 2.197 1214 E HA -0.249 4.101 4.350 -0.000 0.000 0.205 1214 E C 2.612 179.182 176.600 -0.050 0.000 1.029 1214 E CA 1.384 57.724 56.400 -0.101 0.000 0.828 1214 E CB -0.147 29.504 29.700 -0.082 0.000 0.737 1214 E HN 0.227 nan 8.360 nan 0.000 0.464 1215 R N 0.697 121.137 120.500 -0.099 0.000 2.061 1215 R HA -0.027 4.313 4.340 -0.000 0.000 0.230 1215 R C 2.450 178.739 176.300 -0.019 0.000 1.140 1215 R CA 1.084 57.147 56.100 -0.061 0.000 0.940 1215 R CB -0.838 29.411 30.300 -0.084 0.000 0.839 1215 R HN 0.161 nan 8.270 nan 0.000 0.429 1216 I N 0.716 121.285 120.570 -0.001 0.000 2.091 1216 I HA -0.417 3.753 4.170 -0.000 0.000 0.240 1216 I C 2.410 178.662 176.117 0.224 0.000 1.046 1216 I CA 2.018 63.392 61.300 0.123 0.000 1.306 1216 I CB -0.491 37.593 38.000 0.139 0.000 1.018 1216 I HN 0.236 nan 8.210 nan 0.000 0.404 1217 K N 0.922 121.428 120.400 0.177 0.000 2.152 1217 K HA -0.230 4.090 4.320 -0.000 0.000 0.206 1217 K C 2.056 178.751 176.600 0.158 0.000 1.048 1217 K CA 1.702 58.108 56.287 0.198 0.000 0.933 1217 K CB -0.049 32.564 32.500 0.188 0.000 0.721 1217 K HN 0.562 nan 8.250 nan 0.000 0.447 1218 Q N -1.398 118.455 119.800 0.090 0.000 2.403 1218 Q HA 0.042 4.382 4.340 -0.000 0.000 0.203 1218 Q C 0.723 176.721 176.000 -0.004 0.000 0.932 1218 Q CA 0.735 56.566 55.803 0.048 0.000 0.945 1218 Q CB 0.591 29.345 28.738 0.026 0.000 1.045 1218 Q HN 0.039 nan 8.270 nan 0.000 0.511 1219 T N -0.351 114.182 114.554 -0.036 0.000 3.031 1219 T HA 0.135 4.485 4.350 -0.000 0.000 0.254 1219 T C 0.602 175.071 174.700 -0.386 0.000 1.060 1219 T CA 0.608 62.564 62.100 -0.240 0.000 1.135 1219 T CB -0.004 68.643 68.868 -0.369 0.000 0.896 1219 T HN 0.312 nan 8.240 nan 0.000 0.472 1220 F N 0.511 120.475 119.950 0.023 0.000 2.637 1220 F HA 0.391 4.918 4.527 -0.000 0.000 0.284 1220 F C 1.246 177.067 175.800 0.034 0.000 1.105 1220 F CA -0.346 57.671 58.000 0.029 0.000 1.356 1220 F CB 0.235 39.256 39.000 0.035 0.000 1.096 1220 F HN -0.095 nan 8.300 nan 0.000 0.616 1221 K N -0.185 120.346 120.400 0.219 0.000 6.203 1221 K HA -0.271 4.049 4.320 -0.000 0.000 0.219 1221 K C -0.664 176.020 176.600 0.142 0.000 1.545 1221 K CA 1.097 57.469 56.287 0.141 0.000 0.759 1221 K CB -1.271 31.286 32.500 0.095 0.000 0.651 1221 K HN 0.036 nan 8.250 nan 0.000 0.535 1222 N N 2.616 121.381 118.700 0.109 0.000 3.083 1222 N HA 0.167 4.907 4.740 -0.000 0.000 0.260 1222 N C -1.048 174.514 175.510 0.087 0.000 1.163 1222 N CA 0.562 53.667 53.050 0.092 0.000 1.060 1222 N CB 0.387 38.913 38.487 0.066 0.000 1.345 1222 N HN 0.538 nan 8.380 nan 0.000 0.515 1223 D N 0.492 120.951 120.400 0.099 0.000 4.090 1223 D HA -0.033 4.606 4.640 -0.000 0.000 0.202 1223 D C -0.872 175.461 176.300 0.056 0.000 0.953 1223 D CA -0.339 53.707 54.000 0.076 0.000 0.737 1223 D CB -0.988 39.861 40.800 0.081 0.000 1.711 1223 D HN 0.202 nan 8.370 nan 0.000 0.406 1224 L N 0.944 122.208 121.223 0.069 0.000 2.849 1224 L HA 0.533 4.873 4.340 -0.000 0.000 0.256 1224 L C -2.163 174.767 176.870 0.099 0.000 0.951 1224 L CA -0.737 54.109 54.840 0.011 0.000 1.003 1224 L CB 1.163 43.115 42.059 -0.178 0.000 1.408 1224 L HN -0.031 nan 8.230 nan 0.000 0.463 1225 F N 5.548 125.466 119.950 -0.054 0.000 2.412 1225 F HA 0.772 5.299 4.527 -0.000 0.000 0.348 1225 F C -0.465 175.298 175.800 -0.062 0.000 1.102 1225 F CA -0.056 57.908 58.000 -0.060 0.000 1.196 1225 F CB 1.094 40.045 39.000 -0.081 0.000 1.144 1225 F HN 0.281 nan 8.300 nan 0.000 0.541 1226 V N 6.821 126.305 119.914 -0.716 0.000 2.971 1226 V HA 0.560 4.680 4.120 -0.000 0.000 0.309 1226 V C -0.278 175.318 176.094 -0.830 0.000 1.130 1226 V CA -0.888 61.088 62.300 -0.540 0.000 0.964 1226 V CB 1.991 33.770 31.823 -0.073 0.000 1.029 1226 V HN 0.704 nan 8.190 nan 0.000 0.427 1227 I N 1.678 121.904 120.570 -0.573 0.000 3.264 1227 I HA 0.774 4.944 4.170 -0.000 0.000 0.315 1227 I C -1.604 174.395 176.117 -0.197 0.000 1.154 1227 I CA -0.627 60.219 61.300 -0.757 0.000 0.962 1227 I CB 2.712 40.306 38.000 -0.677 0.000 1.265 1227 I HN 0.915 nan 8.210 nan 0.000 0.463 1228 W N 0.706 121.920 121.300 -0.143 0.000 3.298 1228 W HA 0.605 5.265 4.660 -0.000 0.000 0.302 1228 W C -0.777 175.740 176.519 -0.003 0.000 1.255 1228 W CA -0.884 56.423 57.345 -0.064 0.000 1.196 1228 W CB -0.290 29.136 29.460 -0.055 0.000 1.364 1228 W HN 0.574 nan 8.180 nan 0.000 0.566 1229 S N 0.349 116.203 115.700 0.256 0.000 2.632 1229 S HA 0.459 4.929 4.470 -0.000 0.000 0.254 1229 S C -0.257 174.491 174.600 0.247 0.000 1.291 1229 S CA -0.320 57.983 58.200 0.172 0.000 0.974 1229 S CB 0.762 64.026 63.200 0.107 0.000 1.016 1229 S HN 0.619 nan 8.310 nan 0.000 0.579 1230 E N -0.236 120.054 120.200 0.151 0.000 2.227 1230 E HA 0.238 4.588 4.350 -0.000 0.000 0.268 1230 E C 0.042 176.694 176.600 0.087 0.000 0.907 1230 E CA -0.707 55.777 56.400 0.140 0.000 0.786 1230 E CB 1.186 30.945 29.700 0.097 0.000 1.191 1230 E HN 0.565 nan 8.360 nan 0.000 0.411 1231 D N 1.322 121.764 120.400 0.070 0.000 2.280 1231 D HA -0.217 4.423 4.640 -0.000 0.000 0.206 1231 D C 1.113 177.429 176.300 0.027 0.000 0.988 1231 D CA 1.039 55.060 54.000 0.035 0.000 0.886 1231 D CB 0.213 41.026 40.800 0.022 0.000 0.914 1231 D HN 0.377 nan 8.370 nan 0.000 0.473 1232 N N 1.008 119.727 118.700 0.032 0.000 2.148 1232 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 1232 N C 0.242 175.765 175.510 0.023 0.000 1.031 1232 N CA 0.513 53.577 53.050 0.024 0.000 0.848 1232 N CB 0.142 38.643 38.487 0.023 0.000 1.005 1232 N HN 0.066 nan 8.380 nan 0.000 0.427 1233 D N 0.919 121.337 120.400 0.030 0.000 2.505 1233 D HA -0.155 4.485 4.640 -0.000 0.000 0.229 1233 D C 1.071 177.384 176.300 0.022 0.000 1.215 1233 D CA 0.583 54.600 54.000 0.027 0.000 0.880 1233 D CB 0.464 41.285 40.800 0.036 0.000 1.228 1233 D HN 0.530 nan 8.370 nan 0.000 0.497 1234 E N 0.334 120.545 120.200 0.018 0.000 2.489 1234 E HA -0.022 4.328 4.350 -0.000 0.000 0.193 1234 E C -0.114 176.495 176.600 0.016 0.000 1.057 1234 E CA 0.563 56.972 56.400 0.015 0.000 0.866 1234 E CB 0.318 30.026 29.700 0.013 0.000 0.916 1234 E HN 0.173 nan 8.360 nan 0.000 0.500 1235 K N 1.541 121.952 120.400 0.019 0.000 2.640 1235 K HA 0.315 4.635 4.320 -0.000 0.000 0.245 1235 K C -1.059 175.555 176.600 0.024 0.000 0.962 1235 K CA -0.474 55.825 56.287 0.019 0.000 0.896 1235 K CB 1.814 34.324 32.500 0.016 0.000 1.147 1235 K HN 0.077 nan 8.250 nan 0.000 0.445 1236 L N 5.210 126.447 121.223 0.022 0.000 2.410 1236 L HA 0.416 4.755 4.340 -0.000 0.000 0.273 1236 L C 0.044 176.930 176.870 0.027 0.000 1.144 1236 L CA 0.111 54.967 54.840 0.027 0.000 0.863 1236 L CB -0.021 42.044 42.059 0.011 0.000 1.140 1236 L HN 0.445 nan 8.230 nan 0.000 0.463 1237 I N 4.116 124.714 120.570 0.047 0.000 2.827 1237 I HA 0.439 4.609 4.170 -0.000 0.000 0.298 1237 I C -0.800 175.360 176.117 0.072 0.000 1.235 1237 I CA -0.493 60.828 61.300 0.036 0.000 1.021 1237 I CB 2.993 41.000 38.000 0.011 0.000 1.259 1237 I HN 0.429 nan 8.210 nan 0.000 0.427 1238 I N 4.311 124.909 120.570 0.047 0.000 2.439 1238 I HA 0.450 4.620 4.170 -0.000 0.000 0.283 1238 I C -0.308 175.817 176.117 0.014 0.000 1.023 1238 I CA -0.476 60.869 61.300 0.075 0.000 1.100 1238 I CB 1.570 39.607 38.000 0.063 0.000 1.238 1238 I HN 0.463 nan 8.210 nan 0.000 0.445 1239 R N 4.453 124.943 120.500 -0.017 0.000 2.691 1239 R HA 0.897 5.237 4.340 -0.000 0.000 0.259 1239 R C -0.963 175.285 176.300 -0.088 0.000 1.048 1239 R CA -0.521 55.542 56.100 -0.062 0.000 1.086 1239 R CB 1.893 32.142 30.300 -0.084 0.000 1.166 1239 R HN 0.840 nan 8.270 nan 0.000 0.526 1240 C N -1.196 118.063 119.300 -0.068 0.000 3.086 1240 C HA 0.396 4.856 4.460 -0.000 0.000 0.396 1240 C C -1.073 173.919 174.990 0.002 0.000 1.056 1240 C CA -1.364 57.613 59.018 -0.070 0.000 1.078 1240 C CB 0.711 28.398 27.740 -0.089 0.000 1.467 1240 C HN 0.934 nan 8.230 nan 0.000 0.580 1241 R N 1.533 122.067 120.500 0.057 0.000 2.912 1241 R HA 0.896 5.236 4.340 -0.000 0.000 0.262 1241 R C 0.118 176.453 176.300 0.058 0.000 1.057 1241 R CA -0.692 55.456 56.100 0.080 0.000 0.981 1241 R CB 1.579 31.945 30.300 0.109 0.000 1.201 1241 R HN 0.636 nan 8.270 nan 0.000 0.484 1242 V N 0.020 119.969 119.914 0.059 0.000 4.057 1242 V HA 0.463 4.583 4.120 -0.000 0.000 0.264 1242 V C 0.495 176.616 176.094 0.044 0.000 0.923 1242 V CA -0.212 62.107 62.300 0.032 0.000 0.799 1242 V CB 0.594 32.447 31.823 0.049 0.000 1.166 1242 V HN 0.596 nan 8.190 nan 0.000 0.375 1255 E N 0.447 120.693 120.200 0.077 0.000 2.326 1255 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 1255 E C 0.533 177.158 176.600 0.042 0.000 1.367 1255 E CA 0.725 57.159 56.400 0.056 0.000 0.666 1255 E CB -0.642 29.067 29.700 0.015 0.000 1.147 1255 E HN 0.759 nan 8.360 nan 0.000 0.384 1256 E N 0.480 120.710 120.200 0.049 0.000 2.170 1256 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 1256 E C 1.184 177.655 176.600 -0.215 0.000 0.981 1256 E CA 0.605 57.007 56.400 0.003 0.000 0.830 1256 E CB 0.137 29.984 29.700 0.245 0.000 0.775 1256 E HN 0.427 nan 8.360 nan 0.000 0.470 1257 D N 0.724 120.851 120.400 -0.454 0.000 2.078 1257 D HA -0.186 4.454 4.640 -0.000 0.000 0.193 1257 D C 1.951 178.125 176.300 -0.210 0.000 0.990 1257 D CA 1.028 54.712 54.000 -0.527 0.000 0.827 1257 D CB -0.434 40.007 40.800 -0.598 0.000 0.975 1257 D HN 0.217 nan 8.370 nan 0.000 0.451 1258 H N 0.924 119.883 119.070 -0.186 0.000 2.289 1258 H HA -0.138 4.418 4.556 -0.000 0.000 0.294 1258 H C 2.147 177.427 175.328 -0.080 0.000 1.095 1258 H CA 1.459 57.444 56.048 -0.105 0.000 1.256 1258 H CB -0.424 29.298 29.762 -0.067 0.000 1.359 1258 H HN 0.131 nan 8.280 nan 0.000 0.487 1259 M N -0.026 119.647 119.600 0.121 0.000 2.175 1259 M HA -0.135 4.345 4.480 -0.000 0.000 0.264 1259 M C 1.282 177.592 176.300 0.017 0.000 1.063 1259 M CA 0.897 56.237 55.300 0.068 0.000 1.119 1259 M CB -0.012 32.609 32.600 0.035 0.000 1.377 1259 M HN 0.161 nan 8.290 nan 0.000 0.415 1260 L N 0.975 122.175 121.223 -0.038 0.000 2.873 1260 L HA 0.060 4.400 4.340 -0.000 0.000 0.252 1260 L C 0.861 177.695 176.870 -0.060 0.000 1.266 1260 L CA 1.095 55.901 54.840 -0.056 0.000 1.111 1260 L CB -1.024 40.987 42.059 -0.079 0.000 1.440 1260 L HN 0.223 nan 8.230 nan 0.000 0.427 1261 K N -1.713 118.665 120.400 -0.037 0.000 2.603 1261 K HA 0.149 4.469 4.320 -0.000 0.000 0.205 1261 K C 1.658 178.258 176.600 0.000 0.000 1.500 1261 K CA -0.029 56.235 56.287 -0.039 0.000 1.059 1261 K CB 0.558 33.005 32.500 -0.089 0.000 1.416 1261 K HN 0.141 nan 8.250 nan 0.000 0.562 1262 K N 0.825 121.242 120.400 0.028 0.000 2.148 1262 K HA 0.017 4.337 4.320 -0.000 0.000 0.204 1262 K C 1.657 178.301 176.600 0.074 0.000 1.050 1262 K CA 1.105 57.425 56.287 0.056 0.000 0.942 1262 K CB 0.119 32.667 32.500 0.079 0.000 0.724 1262 K HN 0.134 nan 8.250 nan 0.000 0.446 1263 I N 0.793 121.400 120.570 0.061 0.000 2.876 1263 I HA -0.161 4.009 4.170 -0.000 0.000 0.264 1263 I C 2.376 178.539 176.117 0.076 0.000 1.204 1263 I CA 0.602 61.952 61.300 0.084 0.000 1.485 1263 I CB -0.054 37.925 38.000 -0.035 0.000 1.103 1263 I HN 0.169 nan 8.210 nan 0.000 0.446 1264 E N 1.969 122.191 120.200 0.037 0.000 2.058 1264 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 1264 E C 1.786 178.418 176.600 0.052 0.000 0.997 1264 E CA 1.863 58.282 56.400 0.032 0.000 0.801 1264 E CB -0.155 29.550 29.700 0.009 0.000 0.746 1264 E HN 0.367 nan 8.360 nan 0.000 0.450 1265 N N -0.293 118.438 118.700 0.051 0.000 2.109 1265 N HA -0.076 4.664 4.740 -0.000 0.000 0.188 1265 N C 1.779 177.332 175.510 0.071 0.000 1.034 1265 N CA 1.901 54.981 53.050 0.051 0.000 0.846 1265 N CB -0.835 37.675 38.487 0.038 0.000 1.010 1265 N HN 0.244 nan 8.380 nan 0.000 0.425 1266 T N 1.671 116.284 114.554 0.097 0.000 2.896 1266 T HA -0.092 4.258 4.350 -0.000 0.000 0.270 1266 T C 1.776 176.552 174.700 0.126 0.000 1.104 1266 T CA 0.920 63.086 62.100 0.110 0.000 1.115 1266 T CB -0.055 68.912 68.868 0.165 0.000 0.843 1266 T HN 0.247 nan 8.240 nan 0.000 0.523 1267 M N -0.376 119.319 119.600 0.158 0.000 2.501 1267 M HA 0.223 4.703 4.480 -0.000 0.000 0.261 1267 M C 1.626 177.969 176.300 0.071 0.000 1.129 1267 M CA 0.857 56.250 55.300 0.154 0.000 1.126 1267 M CB 0.048 32.748 32.600 0.167 0.000 1.359 1267 M HN 0.261 nan 8.290 nan 0.000 0.471 1268 L N -1.003 120.252 121.223 0.053 0.000 2.463 1268 L HA 0.017 4.357 4.340 -0.000 0.000 0.219 1268 L C 1.231 178.113 176.870 0.021 0.000 1.088 1268 L CA 0.672 55.530 54.840 0.029 0.000 0.849 1268 L CB 0.104 42.179 42.059 0.028 0.000 1.012 1268 L HN 0.263 nan 8.230 nan 0.000 0.468 1269 E N -1.425 118.791 120.200 0.027 0.000 2.603 1269 E HA 0.109 4.459 4.350 -0.000 0.000 0.224 1269 E C 0.640 177.257 176.600 0.029 0.000 0.896 1269 E CA -0.128 56.289 56.400 0.029 0.000 1.224 1269 E CB 0.564 30.283 29.700 0.031 0.000 1.206 1269 E HN 0.227 nan 8.360 nan 0.000 0.576 1270 N N 0.712 119.420 118.700 0.013 0.000 2.203 1270 N HA 0.215 4.955 4.740 -0.000 0.000 0.207 1270 N C -0.415 175.077 175.510 -0.030 0.000 1.130 1270 N CA 0.220 53.267 53.050 -0.004 0.000 0.861 1270 N CB 1.367 39.842 38.487 -0.020 0.000 1.005 1270 N HN 0.131 nan 8.380 nan 0.000 0.507 1271 I N 1.076 121.630 120.570 -0.027 0.000 2.406 1271 I HA 0.187 4.357 4.170 -0.000 0.000 0.290 1271 I C -0.493 175.589 176.117 -0.058 0.000 0.999 1271 I CA -0.152 61.116 61.300 -0.053 0.000 1.124 1271 I CB 1.653 39.621 38.000 -0.052 0.000 1.289 1271 I HN -0.193 nan 8.210 nan 0.000 0.441 1272 T N 6.744 121.260 114.554 -0.062 0.000 2.918 1272 T HA 0.432 4.782 4.350 -0.000 0.000 0.286 1272 T C 0.445 175.082 174.700 -0.104 0.000 1.026 1272 T CA -0.488 61.548 62.100 -0.107 0.000 1.031 1272 T CB 2.390 71.246 68.868 -0.020 0.000 1.046 1272 T HN 0.289 nan 8.240 nan 0.000 0.479 1273 L N 0.797 121.939 121.223 -0.134 0.000 2.546 1273 L HA 0.474 4.814 4.340 -0.000 0.000 0.182 1273 L C 0.945 177.765 176.870 -0.083 0.000 1.167 1273 L CA 0.829 55.605 54.840 -0.105 0.000 0.845 1273 L CB -0.113 41.879 42.059 -0.112 0.000 1.134 1273 L HN 0.417 nan 8.230 nan 0.000 0.500 1274 R N -0.594 119.855 120.500 -0.085 0.000 2.483 1274 R HA 0.554 4.894 4.340 -0.000 0.000 0.303 1274 R C -0.912 175.371 176.300 -0.028 0.000 0.987 1274 R CA 0.187 56.257 56.100 -0.051 0.000 0.881 1274 R CB 1.240 31.508 30.300 -0.053 0.000 1.177 1274 R HN 0.364 nan 8.270 nan 0.000 0.451 1275 G N 0.998 109.804 108.800 0.011 0.000 2.369 1275 G HA2 0.106 4.066 3.960 -0.000 0.000 0.295 1275 G HA3 0.106 4.066 3.960 -0.000 0.000 0.295 1275 G C -1.845 173.121 174.900 0.109 0.000 1.298 1275 G CA -0.698 44.441 45.100 0.064 0.000 0.940 1275 G HN 0.394 nan 8.290 nan 0.000 0.536 1276 V N 0.385 120.373 119.914 0.123 0.000 2.656 1276 V HA 0.634 4.754 4.120 -0.000 0.000 0.307 1276 V C 0.617 176.719 176.094 0.013 0.000 1.051 1276 V CA -0.392 61.951 62.300 0.073 0.000 0.893 1276 V CB 1.431 33.271 31.823 0.027 0.000 0.999 1276 V HN 1.250 nan 8.190 nan 0.000 0.426 1277 E N 3.806 123.952 120.200 -0.090 0.000 2.485 1277 E HA -0.035 4.315 4.350 -0.000 0.000 0.266 1277 E C 0.500 176.949 176.600 -0.252 0.000 1.090 1277 E CA 0.422 56.627 56.400 -0.325 0.000 0.987 1277 E CB 0.073 29.646 29.700 -0.211 0.000 0.974 1277 E HN 0.671 nan 8.360 nan 0.000 0.455 1278 N N -0.221 118.290 118.700 -0.316 0.000 2.282 1278 N HA -0.261 4.479 4.740 -0.000 0.000 0.222 1278 N C 0.059 175.505 175.510 -0.107 0.000 0.937 1278 N CA 2.001 54.950 53.050 -0.169 0.000 2.775 1278 N CB -1.422 37.005 38.487 -0.101 0.000 0.817 1278 N HN 0.626 nan 8.380 nan 0.000 0.463 1279 I N 3.102 123.624 120.570 -0.080 0.000 2.574 1279 I HA -0.056 4.113 4.170 -0.000 0.000 0.291 1279 I C 1.371 177.503 176.117 0.024 0.000 1.131 1279 I CA 0.704 61.994 61.300 -0.017 0.000 1.352 1279 I CB 0.080 38.083 38.000 0.004 0.000 1.431 1279 I HN 0.192 nan 8.210 nan 0.000 0.543 1280 E N 6.229 126.442 120.200 0.022 0.000 3.363 1280 E HA 0.313 4.663 4.350 -0.000 0.000 0.481 1280 E C 0.243 176.864 176.600 0.035 0.000 0.318 1280 E CA -0.884 55.545 56.400 0.047 0.000 2.823 1280 E CB 0.297 30.014 29.700 0.028 0.000 2.283 1280 E HN 0.460 nan 8.360 nan 0.000 0.441 1281 R N 0.230 120.731 120.500 0.002 0.000 2.531 1281 R HA -0.034 4.306 4.340 -0.000 0.000 0.273 1281 R C -0.840 175.468 176.300 0.012 0.000 0.974 1281 R CA 0.315 56.395 56.100 -0.034 0.000 1.088 1281 R CB -0.095 30.162 30.300 -0.071 0.000 0.880 1281 R HN 0.115 nan 8.270 nan 0.000 0.426 1282 V N 2.544 122.484 119.914 0.044 0.000 2.697 1282 V HA 0.256 4.375 4.120 -0.000 0.000 0.300 1282 V C -0.390 175.794 176.094 0.150 0.000 1.115 1282 V CA -0.780 61.573 62.300 0.089 0.000 0.912 1282 V CB 2.028 33.912 31.823 0.101 0.000 1.024 1282 V HN 0.505 nan 8.190 nan 0.000 0.431 1283 V N 4.617 124.591 119.914 0.100 0.000 3.019 1283 V HA 0.625 4.745 4.120 -0.000 0.000 0.317 1283 V C -0.047 176.099 176.094 0.087 0.000 1.094 1283 V CA -0.821 61.554 62.300 0.124 0.000 1.000 1283 V CB 2.269 34.146 31.823 0.090 0.000 1.060 1283 V HN 0.799 nan 8.190 nan 0.000 0.443 1284 M N 2.743 122.415 119.600 0.119 0.000 2.598 1284 M HA 0.700 5.180 4.480 -0.000 0.000 0.317 1284 M C -1.026 175.371 176.300 0.162 0.000 1.201 1284 M CA -0.459 54.938 55.300 0.161 0.000 0.971 1284 M CB 1.906 34.649 32.600 0.239 0.000 1.657 1284 M HN 0.390 nan 8.290 nan 0.000 0.470 1285 M N 1.494 121.137 119.600 0.072 0.000 2.365 1285 M HA 0.296 4.776 4.480 -0.000 0.000 0.288 1285 M C -1.292 174.710 176.300 -0.495 0.000 1.152 1285 M CA -0.556 54.631 55.300 -0.189 0.000 0.948 1285 M CB 2.377 34.793 32.600 -0.306 0.000 1.729 1285 M HN 0.561 nan 8.290 nan 0.000 0.487 1286 K N 2.648 122.678 120.400 -0.617 0.000 2.231 1286 K HA 0.403 4.723 4.320 -0.000 0.000 0.255 1286 K C -1.005 175.475 176.600 -0.201 0.000 1.108 1286 K CA -0.040 55.791 56.287 -0.760 0.000 0.997 1286 K CB 0.384 32.295 32.500 -0.983 0.000 1.549 1286 K HN 0.555 nan 8.250 nan 0.000 0.419 1287 Y N 0.765 120.945 120.300 -0.201 0.000 2.281 1287 Y HA 0.031 4.581 4.550 -0.000 0.000 0.337 1287 Y C 0.683 176.545 175.900 -0.062 0.000 1.304 1287 Y CA -0.944 57.107 58.100 -0.081 0.000 1.465 1287 Y CB 0.817 39.281 38.460 0.005 0.000 1.350 1287 Y HN 0.366 nan 8.280 nan 0.000 0.575 1288 D N 2.127 122.604 120.400 0.129 0.000 2.373 1288 D HA 0.180 4.820 4.640 -0.000 0.000 0.227 1288 D C -0.599 175.749 176.300 0.080 0.000 1.091 1288 D CA -0.235 53.804 54.000 0.064 0.000 0.840 1288 D CB 1.219 42.033 40.800 0.024 0.000 1.060 1288 D HN 0.330 nan 8.370 nan 0.000 0.502 1289 R N 2.837 123.391 120.500 0.089 0.000 2.435 1289 R HA 0.214 4.554 4.340 -0.000 0.000 0.308 1289 R C -0.491 175.860 176.300 0.085 0.000 0.975 1289 R CA -0.668 55.488 56.100 0.093 0.000 0.867 1289 R CB 1.153 31.518 30.300 0.109 0.000 1.171 1289 R HN 0.178 nan 8.270 nan 0.000 0.470 1290 K N 2.420 122.886 120.400 0.110 0.000 2.270 1290 K HA 0.370 4.690 4.320 -0.000 0.000 0.276 1290 K C -0.703 175.999 176.600 0.169 0.000 1.023 1290 K CA -0.352 56.034 56.287 0.165 0.000 0.955 1290 K CB 1.669 34.306 32.500 0.229 0.000 0.975 1290 K HN 0.231 nan 8.250 nan 0.000 0.471 1291 V N 3.293 123.250 119.914 0.071 0.000 3.204 1291 V HA 0.185 4.305 4.120 -0.000 0.000 0.298 1291 V C -2.608 173.243 176.094 -0.405 0.000 1.328 1291 V CA -2.061 60.147 62.300 -0.154 0.000 1.035 1291 V CB 2.509 34.282 31.823 -0.083 0.000 1.095 1291 V HN 0.601 nan 8.190 nan 0.000 0.442 1292 P HA 0.094 nan 4.420 nan 0.000 0.258 1292 P C -0.181 176.969 177.300 -0.251 0.000 1.214 1292 P CA 0.722 63.517 63.100 -0.508 0.000 0.872 1292 P CB 0.223 31.684 31.700 -0.399 0.000 0.890 1293 S N 5.300 120.888 115.700 -0.188 0.000 2.580 1293 S HA 0.095 4.565 4.470 -0.000 0.000 0.266 1293 S C -0.682 173.865 174.600 -0.087 0.000 1.354 1293 S CA -1.160 56.982 58.200 -0.096 0.000 1.008 1293 S CB -0.103 63.066 63.200 -0.052 0.000 0.898 1293 S HN 0.332 nan 8.310 nan 0.000 0.555 1294 P HA -0.058 nan 4.420 nan 0.000 0.219 1294 P C 1.424 178.700 177.300 -0.040 0.000 1.150 1294 P CA 1.268 64.339 63.100 -0.049 0.000 0.814 1294 P CB -0.373 31.307 31.700 -0.033 0.000 0.787 1295 T N -2.413 112.124 114.554 -0.028 0.000 2.962 1295 T HA 0.108 4.458 4.350 -0.000 0.000 0.270 1295 T C 1.485 176.176 174.700 -0.014 0.000 1.088 1295 T CA 2.143 64.236 62.100 -0.012 0.000 1.127 1295 T CB -0.648 68.221 68.868 0.001 0.000 0.883 1295 T HN 0.320 nan 8.240 nan 0.000 0.493 1296 G N 0.307 109.085 108.800 -0.037 0.000 2.541 1296 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.201 1296 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.201 1296 G C -0.011 174.878 174.900 -0.018 0.000 1.026 1296 G CA -0.023 45.054 45.100 -0.040 0.000 0.687 1296 G HN 0.635 nan 8.290 nan 0.000 0.492 1297 E N -0.369 119.839 120.200 0.014 0.000 2.478 1297 E HA 0.343 4.693 4.350 -0.000 0.000 0.262 1297 E C -0.676 175.956 176.600 0.054 0.000 1.243 1297 E CA 0.190 56.630 56.400 0.066 0.000 1.039 1297 E CB 0.521 30.252 29.700 0.052 0.000 0.983 1297 E HN 0.342 nan 8.360 nan 0.000 0.479 1298 Y N -0.329 119.973 120.300 0.004 0.000 2.341 1298 Y HA 0.372 4.922 4.550 -0.000 0.000 0.338 1298 Y C -0.468 175.436 175.900 0.007 0.000 0.965 1298 Y CA -0.536 57.567 58.100 0.004 0.000 1.108 1298 Y CB 1.389 39.854 38.460 0.008 0.000 1.180 1298 Y HN 0.158 nan 8.280 nan 0.000 0.458 1299 V N 2.948 122.914 119.914 0.088 0.000 3.102 1299 V HA 0.387 4.507 4.120 -0.000 0.000 0.312 1299 V C -0.942 175.191 176.094 0.065 0.000 1.135 1299 V CA -1.904 60.438 62.300 0.070 0.000 1.022 1299 V CB 2.227 34.068 31.823 0.029 0.000 1.056 1299 V HN 0.532 nan 8.190 nan 0.000 0.436 1300 K N 1.900 122.332 120.400 0.054 0.000 2.167 1300 K HA 0.209 4.529 4.320 -0.000 0.000 0.275 1300 K C -0.060 176.560 176.600 0.033 0.000 1.103 1300 K CA 0.216 56.531 56.287 0.045 0.000 0.963 1300 K CB 0.349 32.870 32.500 0.036 0.000 1.243 1300 K HN 0.653 nan 8.250 nan 0.000 0.407 1301 E N 4.918 125.138 120.200 0.033 0.000 2.490 1301 E HA 0.111 4.461 4.350 -0.000 0.000 0.232 1301 E C -2.033 174.586 176.600 0.032 0.000 1.091 1301 E CA -2.309 54.106 56.400 0.026 0.000 1.050 1301 E CB 0.421 30.130 29.700 0.016 0.000 1.342 1301 E HN 0.335 nan 8.360 nan 0.000 0.454 1302 P HA -0.120 nan 4.420 nan 0.000 0.270 1302 P C -0.712 176.586 177.300 -0.002 0.000 1.216 1302 P CA 0.590 63.688 63.100 -0.004 0.000 0.788 1302 P CB 0.568 32.236 31.700 -0.054 0.000 0.883 1303 E N -0.944 119.236 120.200 -0.033 0.000 2.392 1303 E HA 0.442 4.792 4.350 -0.000 0.000 0.279 1303 E C -1.541 174.994 176.600 -0.107 0.000 0.964 1303 E CA -0.983 55.425 56.400 0.013 0.000 0.777 1303 E CB 0.514 30.285 29.700 0.120 0.000 1.249 1303 E HN 0.267 nan 8.360 nan 0.000 0.449 1304 W N 1.237 122.542 121.300 0.008 0.000 2.303 1304 W HA 0.573 5.233 4.660 -0.000 0.000 0.334 1304 W C -0.525 175.927 176.519 -0.111 0.000 1.197 1304 W CA -0.116 57.191 57.345 -0.063 0.000 1.262 1304 W CB 1.575 31.011 29.460 -0.039 0.000 1.153 1304 W HN 0.334 nan 8.180 nan 0.000 0.596 1305 V N 3.124 123.032 119.914 -0.011 0.000 3.120 1305 V HA 0.389 4.509 4.120 -0.000 0.000 0.303 1305 V C -0.537 175.462 176.094 -0.158 0.000 1.238 1305 V CA -1.324 60.874 62.300 -0.169 0.000 1.008 1305 V CB 1.781 33.320 31.823 -0.472 0.000 1.064 1305 V HN 0.300 nan 8.190 nan 0.000 0.434 1306 L N 2.158 123.307 121.223 -0.123 0.000 2.322 1306 L HA 0.649 4.989 4.340 -0.000 0.000 0.279 1306 L C -0.078 176.742 176.870 -0.082 0.000 1.036 1306 L CA -0.419 54.382 54.840 -0.065 0.000 0.807 1306 L CB 1.462 43.507 42.059 -0.022 0.000 1.226 1306 L HN 0.625 nan 8.230 nan 0.000 0.433 1307 E N 1.153 121.335 120.200 -0.030 0.000 2.187 1307 E HA 0.309 4.659 4.350 -0.000 0.000 0.268 1307 E C -0.674 175.935 176.600 0.015 0.000 0.896 1307 E CA -0.373 56.026 56.400 -0.001 0.000 0.766 1307 E CB 2.742 32.461 29.700 0.033 0.000 1.142 1307 E HN 0.524 nan 8.360 nan 0.000 0.408 1308 T N 0.627 115.189 114.554 0.013 0.000 2.914 1308 T HA 0.127 4.477 4.350 -0.000 0.000 0.313 1308 T C -0.127 174.581 174.700 0.013 0.000 1.137 1308 T CA 0.001 62.109 62.100 0.014 0.000 0.946 1308 T CB 0.384 69.256 68.868 0.007 0.000 1.558 1308 T HN 0.439 nan 8.240 nan 0.000 0.565 1309 D N -0.564 119.841 120.400 0.008 0.000 3.486 1309 D HA 0.282 4.922 4.640 -0.000 0.000 0.294 1309 D C -0.311 175.988 176.300 -0.001 0.000 1.593 1309 D CA 0.001 54.004 54.000 0.004 0.000 0.776 1309 D CB 0.126 40.926 40.800 0.001 0.000 1.353 1309 D HN 0.748 nan 8.370 nan 0.000 0.608 1310 G N -0.666 108.132 108.800 -0.004 0.000 2.506 1310 G HA2 0.481 4.440 3.960 -0.000 0.000 0.292 1310 G HA3 0.481 4.440 3.960 -0.000 0.000 0.292 1310 G C -1.763 173.128 174.900 -0.014 0.000 1.425 1310 G CA -0.360 44.732 45.100 -0.013 0.000 0.788 1310 G HN -0.040 nan 8.290 nan 0.000 0.490 1311 V N 1.667 121.569 119.914 -0.020 0.000 2.509 1311 V HA 0.533 4.653 4.120 -0.000 0.000 0.289 1311 V C -0.851 175.230 176.094 -0.022 0.000 1.026 1311 V CA -0.926 61.363 62.300 -0.019 0.000 0.872 1311 V CB 1.663 33.476 31.823 -0.017 0.000 1.017 1311 V HN 0.739 nan 8.190 nan 0.000 0.436 1312 N N 4.283 122.971 118.700 -0.019 0.000 2.725 1312 N HA 0.173 4.913 4.740 -0.000 0.000 0.248 1312 N C 0.406 175.912 175.510 -0.007 0.000 1.402 1312 N CA -0.363 52.677 53.050 -0.017 0.000 0.766 1312 N CB 1.631 40.103 38.487 -0.026 0.000 1.223 1312 N HN 0.551 nan 8.380 nan 0.000 0.515 1313 L N 2.949 124.170 121.223 -0.003 0.000 1.955 1313 L HA -0.126 4.214 4.340 -0.000 0.000 0.213 1313 L C 2.245 179.123 176.870 0.012 0.000 1.072 1313 L CA 2.430 57.275 54.840 0.007 0.000 0.755 1313 L CB -1.092 40.972 42.059 0.008 0.000 0.888 1313 L HN 0.584 nan 8.230 nan 0.000 0.432 1314 S N -1.576 114.129 115.700 0.009 0.000 2.478 1314 S HA -0.263 4.207 4.470 -0.000 0.000 0.256 1314 S C 1.453 176.059 174.600 0.011 0.000 1.003 1314 S CA 1.833 60.039 58.200 0.010 0.000 0.976 1314 S CB -0.668 62.535 63.200 0.005 0.000 0.751 1314 S HN 0.769 nan 8.310 nan 0.000 0.513 1315 E N -0.172 120.033 120.200 0.009 0.000 2.444 1315 E HA 0.136 4.486 4.350 -0.000 0.000 0.203 1315 E C 1.785 178.394 176.600 0.015 0.000 0.847 1315 E CA 0.575 56.980 56.400 0.010 0.000 1.142 1315 E CB 0.054 29.756 29.700 0.004 0.000 1.125 1315 E HN 0.357 nan 8.360 nan 0.000 0.521 1316 V N 2.198 122.121 119.914 0.016 0.000 2.688 1316 V HA -0.244 3.876 4.120 -0.000 0.000 0.256 1316 V C 2.330 178.442 176.094 0.030 0.000 1.084 1316 V CA 1.454 63.767 62.300 0.021 0.000 1.103 1316 V CB -0.502 31.334 31.823 0.021 0.000 0.688 1316 V HN 0.304 nan 8.190 nan 0.000 0.480 1317 M N 1.080 120.699 119.600 0.032 0.000 2.156 1317 M HA -0.113 4.367 4.480 -0.000 0.000 0.264 1317 M C 2.042 178.364 176.300 0.037 0.000 1.067 1317 M CA 2.121 57.445 55.300 0.041 0.000 1.131 1317 M CB -0.251 32.373 32.600 0.040 0.000 1.368 1317 M HN 0.575 nan 8.290 nan 0.000 0.416 1318 T N -0.872 113.698 114.554 0.027 0.000 3.509 1318 T HA 0.226 4.576 4.350 -0.000 0.000 0.250 1318 T C 0.007 174.720 174.700 0.022 0.000 1.076 1318 T CA -0.380 61.734 62.100 0.023 0.000 0.966 1318 T CB -1.013 67.865 68.868 0.018 0.000 1.046 1318 T HN 0.056 nan 8.240 nan 0.000 0.591 1319 V N 3.320 123.249 119.914 0.025 0.000 2.612 1319 V HA 0.500 4.620 4.120 -0.000 0.000 0.301 1319 V C -1.988 174.120 176.094 0.023 0.000 1.046 1319 V CA -2.219 60.093 62.300 0.021 0.000 0.946 1319 V CB 1.824 33.659 31.823 0.020 0.000 1.003 1319 V HN 0.402 nan 8.190 nan 0.000 0.459 1320 P HA 0.362 nan 4.420 nan 0.000 0.281 1320 P C 0.515 177.820 177.300 0.008 0.000 1.252 1320 P CA 0.562 63.669 63.100 0.013 0.000 0.778 1320 P CB 1.358 33.059 31.700 0.001 0.000 0.895 1321 G N 2.968 111.781 108.800 0.022 0.000 2.316 1321 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.203 1321 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.203 1321 G C 0.107 175.046 174.900 0.065 0.000 0.999 1321 G CA 0.107 45.219 45.100 0.021 0.000 0.649 1321 G HN 0.685 nan 8.290 nan 0.000 0.489 1322 I N -1.622 118.990 120.570 0.070 0.000 2.822 1322 I HA 0.748 4.918 4.170 -0.000 0.000 0.312 1322 I C -0.790 175.391 176.117 0.107 0.000 1.011 1322 I CA -1.116 60.242 61.300 0.097 0.000 1.105 1322 I CB 1.798 39.850 38.000 0.088 0.000 1.291 1322 I HN -0.086 nan 8.210 nan 0.000 0.474 1323 D N 5.021 125.503 120.400 0.135 0.000 2.479 1323 D HA 0.241 4.881 4.640 -0.000 0.000 0.218 1323 D C -1.859 174.509 176.300 0.113 0.000 1.131 1323 D CA -1.867 52.201 54.000 0.113 0.000 0.916 1323 D CB 0.989 41.858 40.800 0.114 0.000 1.022 1323 D HN 0.395 nan 8.370 nan 0.000 0.515 1324 P HA 0.022 nan 4.420 nan 0.000 0.279 1324 P C 0.564 177.907 177.300 0.072 0.000 1.451 1324 P CA 0.207 63.356 63.100 0.081 0.000 0.783 1324 P CB 0.351 32.087 31.700 0.061 0.000 1.490 1325 T N -0.877 113.719 114.554 0.070 0.000 2.964 1325 T HA 0.186 4.536 4.350 -0.000 0.000 0.250 1325 T C 1.510 176.239 174.700 0.047 0.000 0.982 1325 T CA 0.210 62.337 62.100 0.045 0.000 0.959 1325 T CB 0.329 69.206 68.868 0.015 0.000 1.141 1325 T HN 0.186 nan 8.240 nan 0.000 0.494 1326 R N 0.409 120.950 120.500 0.069 0.000 2.437 1326 R HA 0.433 4.773 4.340 -0.000 0.000 0.257 1326 R C 0.556 177.037 176.300 0.301 0.000 0.927 1326 R CA -0.206 55.922 56.100 0.046 0.000 1.078 1326 R CB 0.613 30.778 30.300 -0.225 0.000 1.161 1326 R HN 0.318 nan 8.270 nan 0.000 0.529 1327 I N 1.604 122.355 120.570 0.301 0.000 2.775 1327 I HA -0.131 4.039 4.170 -0.000 0.000 0.290 1327 I C -0.969 175.361 176.117 0.355 0.000 1.203 1327 I CA 0.537 62.029 61.300 0.319 0.000 1.433 1327 I CB 0.258 38.370 38.000 0.187 0.000 1.354 1327 I HN 0.042 nan 8.210 nan 0.000 0.579 1328 Y N 6.065 126.483 120.300 0.196 0.000 2.433 1328 Y HA 0.409 4.959 4.550 -0.000 0.000 0.337 1328 Y C -0.862 175.108 175.900 0.116 0.000 1.026 1328 Y CA -0.575 57.622 58.100 0.160 0.000 1.037 1328 Y CB 1.769 40.351 38.460 0.204 0.000 1.245 1328 Y HN 0.513 nan 8.280 nan 0.000 0.443 1329 T N 5.009 119.188 114.554 -0.625 0.000 2.856 1329 T HA 0.173 4.523 4.350 -0.000 0.000 0.283 1329 T C 0.638 174.859 174.700 -0.799 0.000 1.008 1329 T CA -0.655 61.155 62.100 -0.484 0.000 0.997 1329 T CB 0.934 69.680 68.868 -0.203 0.000 0.992 1329 T HN 0.754 nan 8.240 nan 0.000 0.454 1330 N N 0.639 119.088 118.700 -0.417 0.000 2.463 1330 N HA -0.020 4.720 4.740 -0.000 0.000 0.181 1330 N C 0.799 176.278 175.510 -0.051 0.000 1.078 1330 N CA 0.063 52.957 53.050 -0.259 0.000 0.902 1330 N CB 0.169 38.621 38.487 -0.058 0.000 0.970 1330 N HN 0.332 nan 8.380 nan 0.000 0.451 1331 S N 0.782 116.486 115.700 0.007 0.000 2.700 1331 S HA 0.117 4.586 4.470 -0.000 0.000 0.321 1331 S C 0.793 175.559 174.600 0.277 0.000 1.161 1331 S CA -0.922 57.398 58.200 0.200 0.000 1.078 1331 S CB -1.177 62.074 63.200 0.086 0.000 1.302 1331 S HN 0.390 nan 8.310 nan 0.000 0.540 1332 F N 2.941 122.875 119.950 -0.026 0.000 2.250 1332 F HA -0.071 4.456 4.527 -0.000 0.000 0.301 1332 F C 1.823 177.632 175.800 0.015 0.000 1.077 1332 F CA 0.107 58.114 58.000 0.012 0.000 1.348 1332 F CB -0.412 38.623 39.000 0.058 0.000 1.040 1332 F HN 0.424 nan 8.300 nan 0.000 0.509 1333 I N 2.047 122.424 120.570 -0.321 0.000 2.151 1333 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 1333 I C 2.129 178.180 176.117 -0.110 0.000 1.080 1333 I CA 1.887 62.985 61.300 -0.337 0.000 1.339 1333 I CB -0.854 36.964 38.000 -0.304 0.000 1.039 1333 I HN 0.283 nan 8.210 nan 0.000 0.409 1334 D N 0.520 120.896 120.400 -0.041 0.000 2.075 1334 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 1334 D C 2.179 178.486 176.300 0.012 0.000 0.985 1334 D CA 1.070 55.062 54.000 -0.014 0.000 0.834 1334 D CB -0.257 40.539 40.800 -0.007 0.000 0.987 1334 D HN 0.302 nan 8.370 nan 0.000 0.452 1335 I N 1.248 121.841 120.570 0.039 0.000 2.707 1335 I HA -0.245 3.925 4.170 -0.000 0.000 0.266 1335 I C 2.216 178.380 176.117 0.078 0.000 1.215 1335 I CA 0.667 62.008 61.300 0.068 0.000 1.442 1335 I CB -0.128 37.934 38.000 0.103 0.000 1.108 1335 I HN 0.111 nan 8.210 nan 0.000 0.464 1336 M N -0.098 119.534 119.600 0.052 0.000 2.567 1336 M HA -0.022 4.458 4.480 -0.000 0.000 0.261 1336 M C 1.696 178.008 176.300 0.021 0.000 1.180 1336 M CA 1.264 56.590 55.300 0.043 0.000 1.143 1336 M CB 0.046 32.660 32.600 0.023 0.000 1.319 1336 M HN 0.141 nan 8.290 nan 0.000 0.490 1337 E N -0.211 119.992 120.200 0.005 0.000 2.216 1337 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 1337 E C 1.868 178.475 176.600 0.010 0.000 0.988 1337 E CA 0.901 57.301 56.400 0.000 0.000 0.834 1337 E CB 0.399 30.092 29.700 -0.012 0.000 0.772 1337 E HN 0.358 nan 8.360 nan 0.000 0.479 1338 V N 0.714 120.639 119.914 0.018 0.000 2.502 1338 V HA -0.088 4.032 4.120 -0.000 0.000 0.234 1338 V C 2.154 178.267 176.094 0.032 0.000 1.072 1338 V CA 0.623 62.937 62.300 0.023 0.000 1.094 1338 V CB -0.407 31.431 31.823 0.025 0.000 0.761 1338 V HN 0.166 nan 8.190 nan 0.000 0.489 1339 L N 0.596 121.846 121.223 0.044 0.000 2.141 1339 L HA 0.250 4.590 4.340 -0.000 0.000 0.209 1339 L C 1.081 177.979 176.870 0.047 0.000 1.094 1339 L CA 1.279 56.150 54.840 0.052 0.000 0.763 1339 L CB -0.612 41.491 42.059 0.073 0.000 0.908 1339 L HN 0.659 nan 8.230 nan 0.000 0.437 1340 G N -0.541 108.287 108.800 0.047 0.000 3.367 1340 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 1340 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 1340 G C 0.321 175.252 174.900 0.053 0.000 1.146 1340 G CA -0.201 44.925 45.100 0.043 0.000 0.913 1340 G HN 0.104 nan 8.290 nan 0.000 0.554 1341 I N 0.484 121.083 120.570 0.049 0.000 3.052 1341 I HA -0.388 3.782 4.170 -0.000 0.000 0.209 1341 I C 2.512 178.671 176.117 0.070 0.000 0.835 1341 I CA 2.744 64.078 61.300 0.057 0.000 1.156 1341 I CB 0.089 38.118 38.000 0.049 0.000 0.899 1341 I HN 0.785 nan 8.210 nan 0.000 0.353 1342 E N 0.442 120.678 120.200 0.060 0.000 2.097 1342 E HA -0.272 4.077 4.350 -0.000 0.000 0.196 1342 E C 2.065 178.706 176.600 0.067 0.000 1.000 1342 E CA 1.705 58.140 56.400 0.058 0.000 0.804 1342 E CB -0.366 29.360 29.700 0.044 0.000 0.740 1342 E HN 0.754 nan 8.360 nan 0.000 0.454 1343 A N 0.601 123.464 122.820 0.072 0.000 1.929 1343 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 1343 A C 2.464 180.126 177.584 0.130 0.000 1.176 1343 A CA 1.681 53.772 52.037 0.090 0.000 0.628 1343 A CB -0.898 18.154 19.000 0.087 0.000 0.816 1343 A HN 0.335 nan 8.150 nan 0.000 0.444 1344 G N -0.285 108.592 108.800 0.129 0.000 2.491 1344 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 1344 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 1344 G C 1.734 176.756 174.900 0.203 0.000 1.180 1344 G CA 1.115 46.318 45.100 0.172 0.000 0.774 1344 G HN 0.530 nan 8.290 nan 0.000 0.562 1345 R N 0.615 121.209 120.500 0.157 0.000 2.136 1345 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 1345 R C 2.896 179.303 176.300 0.178 0.000 1.131 1345 R CA 1.978 58.172 56.100 0.156 0.000 0.937 1345 R CB -0.700 29.662 30.300 0.104 0.000 0.863 1345 R HN 0.295 nan 8.270 nan 0.000 0.435 1346 A N 0.160 123.064 122.820 0.139 0.000 2.054 1346 A HA -0.236 4.084 4.320 -0.000 0.000 0.223 1346 A C 2.240 179.950 177.584 0.210 0.000 1.169 1346 A CA 2.185 54.303 52.037 0.135 0.000 0.655 1346 A CB -0.641 18.409 19.000 0.085 0.000 0.812 1346 A HN 0.643 nan 8.150 nan 0.000 0.462 1347 A N -0.758 122.211 122.820 0.248 0.000 1.861 1347 A HA 0.193 4.513 4.320 -0.000 0.000 0.212 1347 A C 2.047 179.750 177.584 0.198 0.000 1.199 1347 A CA 1.300 53.524 52.037 0.312 0.000 0.613 1347 A CB -0.740 18.488 19.000 0.381 0.000 0.846 1347 A HN 0.861 nan 8.150 nan 0.000 0.446 1348 L N -0.861 120.484 121.223 0.204 0.000 2.021 1348 L HA -0.246 4.093 4.340 -0.000 0.000 0.215 1348 L C 2.238 179.125 176.870 0.028 0.000 1.074 1348 L CA 2.865 57.747 54.840 0.071 0.000 0.760 1348 L CB -1.242 41.001 42.059 0.306 0.000 0.889 1348 L HN 0.550 nan 8.230 nan 0.000 0.433 1349 Y N 0.560 120.877 120.300 0.028 0.000 2.036 1349 Y HA -0.321 4.229 4.550 -0.000 0.000 0.273 1349 Y C 2.816 178.742 175.900 0.044 0.000 1.135 1349 Y CA 2.617 60.723 58.100 0.009 0.000 1.106 1349 Y CB -0.557 37.888 38.460 -0.025 0.000 0.976 1349 Y HN 0.269 nan 8.280 nan 0.000 0.483 1350 K N -0.142 120.396 120.400 0.229 0.000 2.097 1350 K HA -0.369 3.951 4.320 -0.000 0.000 0.214 1350 K C 2.088 178.708 176.600 0.033 0.000 1.052 1350 K CA 2.295 58.659 56.287 0.129 0.000 0.932 1350 K CB -0.318 32.250 32.500 0.114 0.000 0.716 1350 K HN 0.392 nan 8.250 nan 0.000 0.455 1351 E N 0.131 120.330 120.200 -0.002 0.000 2.017 1351 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 1351 E C 1.879 178.407 176.600 -0.119 0.000 0.997 1351 E CA 1.562 57.923 56.400 -0.064 0.000 0.804 1351 E CB -0.245 29.314 29.700 -0.235 0.000 0.757 1351 E HN 0.156 nan 8.360 nan 0.000 0.448 1352 V N 0.697 120.500 119.914 -0.185 0.000 2.317 1352 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 1352 V C 2.222 178.200 176.094 -0.192 0.000 1.065 1352 V CA 2.249 64.439 62.300 -0.184 0.000 1.049 1352 V CB -0.825 30.885 31.823 -0.188 0.000 0.651 1352 V HN 0.438 nan 8.190 nan 0.000 0.450 1353 Y N 1.498 121.556 120.300 -0.404 0.000 2.207 1353 Y HA -0.230 4.320 4.550 -0.000 0.000 0.287 1353 Y C 2.428 178.241 175.900 -0.145 0.000 1.156 1353 Y CA 2.019 59.920 58.100 -0.332 0.000 1.182 1353 Y CB -0.400 37.800 38.460 -0.434 0.000 0.979 1353 Y HN 0.273 nan 8.280 nan 0.000 0.521 1354 N N -0.084 118.553 118.700 -0.105 0.000 2.453 1354 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 1354 N C 1.599 177.006 175.510 -0.173 0.000 1.041 1354 N CA 1.310 54.279 53.050 -0.135 0.000 0.900 1354 N CB 0.120 38.620 38.487 0.022 0.000 0.961 1354 N HN 0.323 nan 8.380 nan 0.000 0.443 1355 V N 0.821 120.637 119.914 -0.163 0.000 3.129 1355 V HA 0.000 4.120 4.120 -0.000 0.000 0.259 1355 V C 1.905 177.911 176.094 -0.146 0.000 1.116 1355 V CA 0.841 63.065 62.300 -0.128 0.000 1.127 1355 V CB -0.055 31.707 31.823 -0.103 0.000 0.742 1355 V HN 0.224 nan 8.190 nan 0.000 0.474 1356 I N -0.044 120.398 120.570 -0.213 0.000 3.708 1356 I HA 0.143 4.313 4.170 -0.000 0.000 0.302 1356 I C 2.351 178.338 176.117 -0.218 0.000 1.255 1356 I CA 0.870 62.059 61.300 -0.185 0.000 1.362 1356 I CB -0.112 37.792 38.000 -0.160 0.000 1.100 1356 I HN 0.224 nan 8.210 nan 0.000 0.434 1357 A N 0.878 123.484 122.820 -0.357 0.000 2.030 1357 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 1357 A C 2.354 179.837 177.584 -0.169 0.000 1.164 1357 A CA 1.145 52.988 52.037 -0.323 0.000 0.697 1357 A CB -0.437 18.219 19.000 -0.573 0.000 0.827 1357 A HN 0.424 nan 8.150 nan 0.000 0.457 1358 S N -0.399 115.213 115.700 -0.147 0.000 2.500 1358 S HA -0.113 4.357 4.470 -0.000 0.000 0.239 1358 S C 1.014 175.576 174.600 -0.063 0.000 0.989 1358 S CA 1.276 59.425 58.200 -0.085 0.000 0.951 1358 S CB -0.213 62.944 63.200 -0.071 0.000 0.759 1358 S HN 0.529 nan 8.310 nan 0.000 0.523 1359 D N 0.742 121.101 120.400 -0.070 0.000 2.369 1359 D HA 0.236 4.876 4.640 -0.000 0.000 0.211 1359 D C 1.262 177.541 176.300 -0.035 0.000 1.077 1359 D CA 0.558 54.530 54.000 -0.047 0.000 0.842 1359 D CB 0.382 41.153 40.800 -0.048 0.000 0.947 1359 D HN 0.562 nan 8.370 nan 0.000 0.509 1360 G N 1.178 109.953 108.800 -0.041 0.000 2.155 1360 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.257 1360 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.257 1360 G C 0.365 175.265 174.900 -0.000 0.000 0.983 1360 G CA 0.551 45.638 45.100 -0.022 0.000 0.676 1360 G HN 0.297 nan 8.290 nan 0.000 0.528 1361 S N -0.644 115.052 115.700 -0.006 0.000 2.617 1361 S HA 0.671 5.141 4.470 -0.000 0.000 0.283 1361 S C -0.669 173.990 174.600 0.098 0.000 1.189 1361 S CA -0.536 57.682 58.200 0.030 0.000 1.036 1361 S CB 1.767 64.966 63.200 -0.002 0.000 1.014 1361 S HN 0.687 nan 8.310 nan 0.000 0.522 1362 Y N 1.772 122.062 120.300 -0.016 0.000 2.376 1362 Y HA 0.677 5.227 4.550 -0.000 0.000 0.340 1362 Y C -1.333 174.601 175.900 0.058 0.000 0.965 1362 Y CA -1.496 56.615 58.100 0.018 0.000 1.078 1362 Y CB 0.794 39.274 38.460 0.033 0.000 1.193 1362 Y HN 0.359 nan 8.280 nan 0.000 0.452 1363 V N 6.731 126.726 119.914 0.135 0.000 2.531 1363 V HA 0.264 4.384 4.120 -0.000 0.000 0.301 1363 V C -0.372 175.751 176.094 0.049 0.000 1.034 1363 V CA -1.263 61.012 62.300 -0.042 0.000 0.865 1363 V CB 1.762 33.651 31.823 0.110 0.000 0.995 1363 V HN 0.868 nan 8.190 nan 0.000 0.424 1364 N N 3.363 121.992 118.700 -0.119 0.000 2.438 1364 N HA 0.032 4.772 4.740 -0.000 0.000 0.267 1364 N C 1.001 176.586 175.510 0.126 0.000 1.222 1364 N CA -0.055 53.024 53.050 0.048 0.000 0.930 1364 N CB 0.318 38.745 38.487 -0.100 0.000 1.083 1364 N HN 0.721 nan 8.380 nan 0.000 0.476 1365 Y N 5.158 125.585 120.300 0.211 0.000 1.807 1365 Y HA -0.539 4.011 4.550 -0.000 0.000 0.160 1365 Y C 2.116 178.053 175.900 0.063 0.000 1.054 1365 Y CA 3.133 61.360 58.100 0.211 0.000 0.792 1365 Y CB -0.449 38.077 38.460 0.110 0.000 0.659 1365 Y HN 0.708 nan 8.280 nan 0.000 0.624 1366 R N -1.600 119.003 120.500 0.171 0.000 2.386 1366 R HA -0.362 3.978 4.340 -0.000 0.000 0.252 1366 R C 1.750 178.015 176.300 -0.060 0.000 1.058 1366 R CA 2.233 58.280 56.100 -0.089 0.000 0.938 1366 R CB -1.644 28.437 30.300 -0.366 0.000 0.931 1366 R HN 0.617 nan 8.270 nan 0.000 0.455 1367 H N 0.693 119.825 119.070 0.103 0.000 2.261 1367 H HA 0.044 4.600 4.556 -0.000 0.000 0.301 1367 H C 2.378 177.731 175.328 0.042 0.000 1.067 1367 H CA 1.881 57.978 56.048 0.083 0.000 1.297 1367 H CB -0.530 29.271 29.762 0.065 0.000 1.377 1367 H HN 0.264 nan 8.280 nan 0.000 0.492 1368 M N 0.493 120.201 119.600 0.180 0.000 2.213 1368 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 1368 M C 2.645 179.004 176.300 0.099 0.000 1.062 1368 M CA 1.271 56.631 55.300 0.101 0.000 1.105 1368 M CB -0.244 32.386 32.600 0.049 0.000 1.385 1368 M HN 0.244 nan 8.290 nan 0.000 0.417 1369 A N 1.108 123.920 122.820 -0.014 0.000 1.834 1369 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 1369 A C 2.090 179.647 177.584 -0.045 0.000 1.203 1369 A CA 1.707 53.612 52.037 -0.219 0.000 0.621 1369 A CB -1.117 17.505 19.000 -0.629 0.000 0.841 1369 A HN 0.412 nan 8.150 nan 0.000 0.446 1370 L N -0.343 120.886 121.223 0.010 0.000 1.987 1370 L HA -0.259 4.081 4.340 -0.000 0.000 0.230 1370 L C 2.381 179.271 176.870 0.034 0.000 1.089 1370 L CA 2.791 57.666 54.840 0.057 0.000 0.802 1370 L CB -1.028 41.111 42.059 0.133 0.000 0.905 1370 L HN 0.494 nan 8.230 nan 0.000 0.441 1371 L N -1.037 120.207 121.223 0.035 0.000 2.010 1371 L HA -0.238 4.102 4.340 -0.000 0.000 0.219 1371 L C 2.484 179.370 176.870 0.026 0.000 1.077 1371 L CA 2.317 57.162 54.840 0.009 0.000 0.773 1371 L CB -1.112 40.949 42.059 0.002 0.000 0.892 1371 L HN 0.194 nan 8.230 nan 0.000 0.436 1372 V N 0.216 120.162 119.914 0.053 0.000 2.380 1372 V HA -0.337 3.783 4.120 -0.000 0.000 0.251 1372 V C 2.232 178.368 176.094 0.069 0.000 1.063 1372 V CA 2.383 64.734 62.300 0.085 0.000 1.055 1372 V CB -0.674 31.234 31.823 0.141 0.000 0.657 1372 V HN 0.646 nan 8.190 nan 0.000 0.455 1373 D N -0.443 119.982 120.400 0.041 0.000 2.091 1373 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 1373 D C 2.158 178.472 176.300 0.025 0.000 0.980 1373 D CA 1.735 55.753 54.000 0.030 0.000 0.831 1373 D CB -0.285 40.524 40.800 0.014 0.000 0.987 1373 D HN 0.433 nan 8.370 nan 0.000 0.460 1374 V N 1.655 121.576 119.914 0.011 0.000 2.324 1374 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 1374 V C 2.479 178.587 176.094 0.022 0.000 1.060 1374 V CA 1.469 63.769 62.300 -0.002 0.000 1.042 1374 V CB -0.642 31.157 31.823 -0.040 0.000 0.650 1374 V HN 0.189 nan 8.190 nan 0.000 0.450 1375 M N -0.492 119.131 119.600 0.037 0.000 2.700 1375 M HA -0.070 4.410 4.480 -0.000 0.000 0.249 1375 M C 1.886 178.233 176.300 0.077 0.000 1.082 1375 M CA 1.554 56.895 55.300 0.069 0.000 1.077 1375 M CB -0.213 32.442 32.600 0.092 0.000 1.477 1375 M HN 0.508 nan 8.290 nan 0.000 0.529 1376 T N -1.386 113.207 114.554 0.065 0.000 2.980 1376 T HA 0.004 4.354 4.350 -0.000 0.000 0.252 1376 T C 1.670 176.401 174.700 0.052 0.000 0.962 1376 T CA 0.918 63.057 62.100 0.066 0.000 0.932 1376 T CB -0.124 68.790 68.868 0.078 0.000 1.188 1376 T HN 0.468 nan 8.240 nan 0.000 0.500 1377 T N 1.344 115.922 114.554 0.040 0.000 2.428 1377 T HA -0.293 4.057 4.350 -0.000 0.000 0.248 1377 T C 1.827 176.550 174.700 0.039 0.000 1.284 1377 T CA 1.785 63.905 62.100 0.032 0.000 1.217 1377 T CB -1.190 67.683 68.868 0.008 0.000 0.864 1377 T HN 0.427 nan 8.240 nan 0.000 0.402 1378 Q N 1.189 121.012 119.800 0.038 0.000 2.266 1378 Q HA -0.319 4.021 4.340 -0.000 0.000 0.222 1378 Q C 2.051 178.076 176.000 0.042 0.000 1.078 1378 Q CA 2.595 58.424 55.803 0.043 0.000 0.964 1378 Q CB -0.905 27.864 28.738 0.052 0.000 1.094 1378 Q HN 0.920 nan 8.270 nan 0.000 0.465 1379 G N -3.256 105.569 108.800 0.042 0.000 4.309 1379 G HA2 0.159 4.119 3.960 -0.000 0.000 0.201 1379 G HA3 0.159 4.119 3.960 -0.000 0.000 0.201 1379 G C 0.340 175.261 174.900 0.035 0.000 1.024 1379 G CA 0.472 45.595 45.100 0.038 0.000 1.007 1379 G HN 0.602 nan 8.290 nan 0.000 0.348 1380 G N -0.203 108.616 108.800 0.032 0.000 2.890 1380 G HA2 0.529 4.489 3.960 -0.000 0.000 0.199 1380 G HA3 0.529 4.489 3.960 -0.000 0.000 0.199 1380 G C -0.908 174.008 174.900 0.026 0.000 1.729 1380 G CA -0.307 44.807 45.100 0.023 0.000 0.767 1380 G HN 0.408 nan 8.290 nan 0.000 0.804 1381 L N 2.217 123.445 121.223 0.009 0.000 2.353 1381 L HA 0.408 4.748 4.340 -0.000 0.000 0.270 1381 L C -0.660 176.230 176.870 0.034 0.000 1.003 1381 L CA -0.368 54.479 54.840 0.011 0.000 0.862 1381 L CB 1.846 43.867 42.059 -0.063 0.000 1.221 1381 L HN 0.214 nan 8.230 nan 0.000 0.430 1382 T N 1.182 115.776 114.554 0.068 0.000 2.727 1382 T HA 0.194 4.544 4.350 -0.000 0.000 0.298 1382 T C 0.461 175.240 174.700 0.132 0.000 0.942 1382 T CA -0.460 61.698 62.100 0.097 0.000 0.997 1382 T CB 0.834 69.769 68.868 0.111 0.000 0.917 1382 T HN 0.615 nan 8.240 nan 0.000 0.487 1383 S N 2.260 118.043 115.700 0.140 0.000 2.572 1383 S HA 0.174 4.644 4.470 -0.000 0.000 0.279 1383 S C 0.630 175.395 174.600 0.275 0.000 1.341 1383 S CA -0.945 57.359 58.200 0.173 0.000 1.043 1383 S CB 0.535 63.826 63.200 0.152 0.000 0.887 1383 S HN 0.440 nan 8.310 nan 0.000 0.516 1384 V N 3.375 123.450 119.914 0.269 0.000 1.984 1384 V HA 0.261 4.381 4.120 -0.000 0.000 0.272 1384 V C 0.197 176.560 176.094 0.449 0.000 1.706 1384 V CA 0.027 62.565 62.300 0.396 0.000 1.644 1384 V CB -1.823 30.079 31.823 0.133 0.000 1.509 1384 V HN 1.031 nan 8.190 nan 0.000 0.511 1385 T N 0.205 114.981 114.554 0.370 0.000 2.840 1385 T HA 0.268 4.618 4.350 -0.000 0.000 0.317 1385 T C 0.945 175.583 174.700 -0.104 0.000 1.401 1385 T CA -0.795 61.418 62.100 0.189 0.000 1.028 1385 T CB 2.086 71.059 68.868 0.175 0.000 1.317 1385 T HN 0.375 nan 8.240 nan 0.000 0.495 1386 R N 0.488 120.845 120.500 -0.238 0.000 2.228 1386 R HA -0.249 4.091 4.340 -0.000 0.000 0.259 1386 R C 0.953 177.002 176.300 -0.418 0.000 1.183 1386 R CA 1.995 57.761 56.100 -0.557 0.000 1.002 1386 R CB -0.321 29.573 30.300 -0.676 0.000 0.879 1386 R HN 0.633 nan 8.270 nan 0.000 0.467 1387 H N -1.503 117.493 119.070 -0.123 0.000 2.539 1387 H HA 0.189 4.745 4.556 -0.000 0.000 0.267 1387 H C 1.178 176.472 175.328 -0.057 0.000 0.982 1387 H CA 0.897 56.898 56.048 -0.078 0.000 1.146 1387 H CB 0.781 30.523 29.762 -0.032 0.000 1.382 1387 H HN 0.494 nan 8.280 nan 0.000 0.577 1388 G N 0.258 109.070 108.800 0.020 0.000 2.844 1388 G HA2 0.016 3.975 3.960 -0.000 0.000 0.204 1388 G HA3 0.016 3.975 3.960 -0.000 0.000 0.204 1388 G C 0.831 175.745 174.900 0.024 0.000 1.815 1388 G CA 0.064 45.197 45.100 0.056 0.000 0.739 1388 G HN 0.214 nan 8.290 nan 0.000 0.807 1389 F N 1.584 121.584 119.950 0.083 0.000 2.406 1389 F HA -0.023 4.504 4.527 -0.000 0.000 0.297 1389 F C 1.148 177.002 175.800 0.090 0.000 1.059 1389 F CA 1.274 59.319 58.000 0.075 0.000 1.458 1389 F CB -0.453 38.586 39.000 0.065 0.000 1.107 1389 F HN 0.142 nan 8.300 nan 0.000 0.582 1390 N N 0.485 118.921 118.700 -0.440 0.000 2.279 1390 N HA 0.106 4.846 4.740 -0.000 0.000 0.226 1390 N C 1.383 176.809 175.510 -0.140 0.000 1.126 1390 N CA 0.123 52.974 53.050 -0.331 0.000 0.846 1390 N CB -0.092 38.078 38.487 -0.529 0.000 1.050 1390 N HN 0.685 nan 8.380 nan 0.000 0.502 1391 R N -1.583 118.884 120.500 -0.055 0.000 2.513 1391 R HA 0.251 4.591 4.340 -0.000 0.000 0.245 1391 R C 0.111 176.424 176.300 0.021 0.000 0.908 1391 R CA -0.154 55.933 56.100 -0.022 0.000 1.023 1391 R CB -0.231 30.060 30.300 -0.014 0.000 1.338 1391 R HN 0.086 nan 8.270 nan 0.000 0.575 1392 S N 1.431 117.164 115.700 0.055 0.000 2.563 1392 S HA -0.013 4.457 4.470 -0.000 0.000 0.269 1392 S C 0.499 175.135 174.600 0.060 0.000 1.364 1392 S CA -0.120 58.122 58.200 0.071 0.000 1.010 1392 S CB 0.307 63.571 63.200 0.107 0.000 0.877 1392 S HN 0.369 nan 8.310 nan 0.000 0.549 1393 N N 0.619 119.352 118.700 0.055 0.000 2.659 1393 N HA -0.061 4.678 4.740 -0.000 0.000 0.194 1393 N C 0.004 175.547 175.510 0.055 0.000 1.140 1393 N CA 0.693 53.772 53.050 0.049 0.000 0.936 1393 N CB -0.960 37.553 38.487 0.044 0.000 0.970 1393 N HN 0.645 nan 8.380 nan 0.000 0.449 1394 T N 0.739 115.333 114.554 0.066 0.000 2.928 1394 T HA 0.235 4.584 4.350 -0.000 0.000 0.305 1394 T C 1.362 176.104 174.700 0.069 0.000 1.035 1394 T CA -0.356 61.786 62.100 0.071 0.000 1.145 1394 T CB 0.966 69.890 68.868 0.092 0.000 0.963 1394 T HN 0.211 nan 8.240 nan 0.000 0.545 1395 G N 1.238 110.079 108.800 0.068 0.000 2.945 1395 G HA2 0.256 4.216 3.960 -0.000 0.000 0.248 1395 G HA3 0.256 4.216 3.960 -0.000 0.000 0.248 1395 G C 1.129 176.087 174.900 0.097 0.000 1.250 1395 G CA -0.228 44.922 45.100 0.084 0.000 0.886 1395 G HN 0.927 nan 8.290 nan 0.000 0.609 1396 A N -0.022 122.886 122.820 0.147 0.000 1.822 1396 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 1396 A C 2.563 180.204 177.584 0.095 0.000 1.245 1396 A CA 1.587 53.690 52.037 0.109 0.000 0.608 1396 A CB -0.886 18.193 19.000 0.131 0.000 0.896 1396 A HN 0.756 nan 8.150 nan 0.000 0.457 1397 L N -1.143 120.179 121.223 0.164 0.000 2.274 1397 L HA -0.370 3.970 4.340 -0.000 0.000 0.220 1397 L C 2.801 179.715 176.870 0.073 0.000 1.088 1397 L CA 2.309 57.219 54.840 0.116 0.000 0.801 1397 L CB -0.542 41.595 42.059 0.131 0.000 0.891 1397 L HN 0.691 nan 8.230 nan 0.000 0.444 1398 M N -0.577 119.069 119.600 0.077 0.000 2.193 1398 M HA -0.153 4.327 4.480 -0.000 0.000 0.265 1398 M C 2.311 178.671 176.300 0.101 0.000 1.071 1398 M CA 1.567 56.915 55.300 0.079 0.000 1.140 1398 M CB 0.008 32.656 32.600 0.081 0.000 1.369 1398 M HN 0.062 nan 8.290 nan 0.000 0.423 1399 R N -0.761 119.792 120.500 0.087 0.000 2.235 1399 R HA -0.063 4.277 4.340 -0.000 0.000 0.213 1399 R C 2.304 178.627 176.300 0.039 0.000 1.059 1399 R CA 0.773 56.922 56.100 0.082 0.000 0.997 1399 R CB -0.656 29.658 30.300 0.024 0.000 0.884 1399 R HN 0.488 nan 8.270 nan 0.000 0.462 1400 C N 1.051 120.364 119.300 0.021 0.000 2.432 1400 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 1400 C C 2.081 177.081 174.990 0.017 0.000 1.249 1400 C CA 1.602 60.610 59.018 -0.018 0.000 1.725 1400 C CB -0.659 27.071 27.740 -0.017 0.000 2.028 1400 C HN 0.527 nan 8.230 nan 0.000 0.477 1401 S N -0.900 114.841 115.700 0.068 0.000 3.120 1401 S HA 0.229 4.699 4.470 -0.000 0.000 0.259 1401 S C -0.302 174.433 174.600 0.226 0.000 1.191 1401 S CA 0.003 58.262 58.200 0.099 0.000 1.257 1401 S CB -0.779 62.467 63.200 0.076 0.000 0.964 1401 S HN 0.532 nan 8.310 nan 0.000 0.473 1402 F N 0.585 120.518 119.950 -0.028 0.000 2.775 1402 F HA 0.259 4.786 4.527 -0.000 0.000 0.339 1402 F C 0.304 176.063 175.800 -0.068 0.000 1.159 1402 F CA -1.433 56.551 58.000 -0.027 0.000 1.145 1402 F CB 0.007 39.008 39.000 0.002 0.000 1.408 1402 F HN 0.255 nan 8.300 nan 0.000 0.597 1403 E N 2.192 122.175 120.200 -0.362 0.000 3.616 1403 E HA -0.331 4.019 4.350 -0.000 0.000 0.275 1403 E C 0.544 176.922 176.600 -0.370 0.000 0.689 1403 E CA 2.208 58.313 56.400 -0.492 0.000 0.942 1403 E CB -0.231 28.920 29.700 -0.915 0.000 1.505 1403 E HN 0.875 nan 8.360 nan 0.000 0.443 1404 E N -1.254 118.748 120.200 -0.330 0.000 2.606 1404 E HA 0.060 4.410 4.350 -0.000 0.000 0.224 1404 E C 0.922 177.395 176.600 -0.212 0.000 0.930 1404 E CA 0.634 56.882 56.400 -0.253 0.000 1.125 1404 E CB 0.645 30.190 29.700 -0.257 0.000 1.123 1404 E HN 0.225 nan 8.360 nan 0.000 0.522 1405 T N 1.141 115.583 114.554 -0.187 0.000 1.721 1405 T HA -0.384 3.966 4.350 -0.000 0.000 0.095 1405 T C 1.818 176.371 174.700 -0.246 0.000 1.825 1405 T CA 2.322 64.317 62.100 -0.176 0.000 0.764 1405 T CB -1.278 67.500 68.868 -0.149 0.000 0.769 1405 T HN 0.038 nan 8.240 nan 0.000 0.396 1406 V N 2.384 122.111 119.914 -0.311 0.000 2.231 1406 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 1406 V C 2.759 178.519 176.094 -0.556 0.000 1.058 1406 V CA 2.668 64.656 62.300 -0.520 0.000 1.022 1406 V CB -0.893 30.565 31.823 -0.608 0.000 0.640 1406 V HN 0.574 nan 8.190 nan 0.000 0.445 1407 E N -0.503 119.474 120.200 -0.372 0.000 2.136 1407 E HA -0.279 4.071 4.350 -0.000 0.000 0.202 1407 E C 2.152 178.668 176.600 -0.139 0.000 1.019 1407 E CA 1.967 58.243 56.400 -0.206 0.000 0.819 1407 E CB -0.256 29.361 29.700 -0.139 0.000 0.739 1407 E HN 0.589 nan 8.360 nan 0.000 0.458 1408 I N 0.619 121.083 120.570 -0.177 0.000 2.353 1408 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 1408 I C 2.437 178.454 176.117 -0.168 0.000 1.119 1408 I CA 0.539 61.753 61.300 -0.144 0.000 1.417 1408 I CB -0.056 37.857 38.000 -0.146 0.000 1.078 1408 I HN 0.147 nan 8.210 nan 0.000 0.421 1409 L N -0.070 121.008 121.223 -0.242 0.000 2.005 1409 L HA -0.236 4.104 4.340 -0.000 0.000 0.207 1409 L C 2.549 179.326 176.870 -0.156 0.000 1.072 1409 L CA 1.642 56.290 54.840 -0.319 0.000 0.744 1409 L CB -0.484 41.368 42.059 -0.344 0.000 0.895 1409 L HN 0.163 nan 8.230 nan 0.000 0.433 1410 F N 0.708 120.557 119.950 -0.168 0.000 2.032 1410 F HA -0.349 4.178 4.527 -0.000 0.000 0.297 1410 F C 2.188 178.029 175.800 0.068 0.000 1.125 1410 F CA 1.206 59.173 58.000 -0.056 0.000 1.202 1410 F CB -0.263 38.696 39.000 -0.068 0.000 0.958 1410 F HN 0.187 nan 8.300 nan 0.000 0.491 1411 E N 0.102 120.433 120.200 0.219 0.000 2.482 1411 E HA -0.071 4.279 4.350 -0.000 0.000 0.200 1411 E C 1.278 177.844 176.600 -0.058 0.000 1.147 1411 E CA 0.186 56.610 56.400 0.039 0.000 0.912 1411 E CB -0.079 29.614 29.700 -0.013 0.000 0.938 1411 E HN 0.394 nan 8.360 nan 0.000 0.519 1412 A N 0.235 123.006 122.820 -0.082 0.000 1.993 1412 A HA 0.183 4.502 4.320 -0.000 0.000 0.207 1412 A C 2.208 179.771 177.584 -0.035 0.000 1.224 1412 A CA 0.593 52.543 52.037 -0.145 0.000 0.749 1412 A CB -0.067 18.651 19.000 -0.470 0.000 0.884 1412 A HN 0.326 nan 8.150 nan 0.000 0.467 1413 G N -0.621 108.170 108.800 -0.015 0.000 2.712 1413 G HA2 0.263 4.223 3.960 -0.000 0.000 0.212 1413 G HA3 0.263 4.223 3.960 -0.000 0.000 0.212 1413 G C 1.440 176.382 174.900 0.070 0.000 1.142 1413 G CA 1.119 46.280 45.100 0.102 0.000 0.789 1413 G HN 0.630 nan 8.290 nan 0.000 0.535 1414 A N 1.319 124.133 122.820 -0.011 0.000 1.854 1414 A HA 0.078 4.398 4.320 -0.000 0.000 0.214 1414 A C 2.344 179.657 177.584 -0.452 0.000 1.192 1414 A CA 1.982 53.842 52.037 -0.295 0.000 0.611 1414 A CB -0.424 18.260 19.000 -0.527 0.000 0.832 1414 A HN 0.608 nan 8.150 nan 0.000 0.442 1415 S N -1.120 114.369 115.700 -0.352 0.000 2.573 1415 S HA 0.531 5.001 4.470 -0.000 0.000 0.244 1415 S C 0.652 175.190 174.600 -0.103 0.000 0.984 1415 S CA 0.469 58.462 58.200 -0.345 0.000 1.001 1415 S CB -0.413 62.601 63.200 -0.311 0.000 0.788 1415 S HN 1.814 nan 8.310 nan 0.000 0.456 1416 A N 1.088 123.904 122.820 -0.006 0.000 2.154 1416 A HA -0.209 4.111 4.320 -0.000 0.000 0.274 1416 A C 0.327 177.997 177.584 0.143 0.000 1.373 1416 A CA 0.840 52.957 52.037 0.133 0.000 0.751 1416 A CB -1.885 17.255 19.000 0.234 0.000 1.149 1416 A HN 0.743 nan 8.150 nan 0.000 0.337 1417 E N -1.171 119.125 120.200 0.160 0.000 2.392 1417 E HA 0.493 4.843 4.350 -0.000 0.000 0.256 1417 E C -0.120 176.569 176.600 0.147 0.000 1.145 1417 E CA -0.589 55.906 56.400 0.157 0.000 0.929 1417 E CB 0.658 30.473 29.700 0.191 0.000 0.998 1417 E HN 0.625 nan 8.360 nan 0.000 0.442 1418 L N 1.569 122.846 121.223 0.090 0.000 2.362 1418 L HA 0.357 4.697 4.340 -0.000 0.000 0.275 1418 L C -1.279 175.595 176.870 0.007 0.000 0.998 1418 L CA -0.373 54.476 54.840 0.015 0.000 0.820 1418 L CB 1.851 43.929 42.059 0.031 0.000 1.270 1418 L HN 0.343 nan 8.230 nan 0.000 0.415 1419 D N 2.874 123.235 120.400 -0.066 0.000 2.381 1419 D HA 0.213 4.853 4.640 -0.000 0.000 0.235 1419 D C 0.224 176.499 176.300 -0.042 0.000 1.068 1419 D CA -0.121 53.861 54.000 -0.031 0.000 0.832 1419 D CB 1.640 42.424 40.800 -0.027 0.000 1.101 1419 D HN 0.628 nan 8.370 nan 0.000 0.515 1420 D N 1.654 122.048 120.400 -0.010 0.000 2.182 1420 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 1420 D C 0.654 176.945 176.300 -0.015 0.000 0.986 1420 D CA 0.795 54.789 54.000 -0.009 0.000 0.847 1420 D CB 0.141 40.945 40.800 0.006 0.000 0.942 1420 D HN 0.510 nan 8.370 nan 0.000 0.467 1421 C N 0.431 119.724 119.300 -0.012 0.000 4.354 1421 C HA -0.152 4.308 4.460 -0.000 0.000 0.307 1421 C C 1.278 176.264 174.990 -0.006 0.000 1.318 1421 C CA -0.022 58.987 59.018 -0.015 0.000 2.060 1421 C CB -2.297 25.424 27.740 -0.032 0.000 1.283 1421 C HN 0.420 nan 8.230 nan 0.000 0.723 1422 R N -0.332 120.171 120.500 0.005 0.000 2.487 1422 R HA 0.231 4.571 4.340 -0.000 0.000 0.272 1422 R C 1.159 177.467 176.300 0.014 0.000 0.928 1422 R CA 0.549 56.656 56.100 0.012 0.000 1.077 1422 R CB 0.619 30.931 30.300 0.020 0.000 1.265 1422 R HN 0.570 nan 8.270 nan 0.000 0.537 1423 G N 0.373 109.180 108.800 0.013 0.000 2.444 1423 G HA2 0.270 4.230 3.960 -0.000 0.000 0.268 1423 G HA3 0.270 4.230 3.960 -0.000 0.000 0.268 1423 G C 1.141 176.040 174.900 -0.002 0.000 1.203 1423 G CA -0.577 44.531 45.100 0.013 0.000 0.835 1423 G HN -0.129 nan 8.290 nan 0.000 0.543 1424 V N 2.033 121.941 119.914 -0.011 0.000 2.220 1424 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 1424 V C 3.029 179.112 176.094 -0.019 0.000 1.049 1424 V CA 2.554 64.838 62.300 -0.026 0.000 1.003 1424 V CB -1.077 30.724 31.823 -0.037 0.000 0.634 1424 V HN 0.721 nan 8.190 nan 0.000 0.444 1425 S N -0.227 115.468 115.700 -0.007 0.000 2.369 1425 S HA -0.281 4.189 4.470 -0.000 0.000 0.225 1425 S C 1.855 176.457 174.600 0.003 0.000 1.043 1425 S CA 1.835 60.036 58.200 0.001 0.000 1.074 1425 S CB -0.548 62.663 63.200 0.020 0.000 0.962 1425 S HN 0.686 nan 8.310 nan 0.000 0.433 1426 E N 1.856 122.063 120.200 0.010 0.000 2.110 1426 E HA -0.247 4.103 4.350 -0.000 0.000 0.225 1426 E C 1.858 178.455 176.600 -0.006 0.000 1.063 1426 E CA 1.446 57.851 56.400 0.009 0.000 0.906 1426 E CB -0.966 28.738 29.700 0.007 0.000 0.795 1426 E HN 0.544 nan 8.360 nan 0.000 0.479 1427 N N 0.645 119.336 118.700 -0.015 0.000 2.104 1427 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 1427 N C 2.136 177.631 175.510 -0.024 0.000 1.024 1427 N CA 1.135 54.171 53.050 -0.024 0.000 0.853 1427 N CB -0.375 38.094 38.487 -0.031 0.000 1.008 1427 N HN -0.009 nan 8.380 nan 0.000 0.424 1428 V N 2.306 122.206 119.914 -0.023 0.000 2.380 1428 V HA -0.208 3.912 4.120 -0.000 0.000 0.251 1428 V C 2.174 178.257 176.094 -0.018 0.000 1.063 1428 V CA 1.343 63.628 62.300 -0.024 0.000 1.055 1428 V CB -0.350 31.459 31.823 -0.024 0.000 0.657 1428 V HN 0.282 nan 8.190 nan 0.000 0.455 1429 I N -1.105 119.458 120.570 -0.011 0.000 2.761 1429 I HA -0.139 4.031 4.170 -0.000 0.000 0.261 1429 I C 1.930 178.041 176.117 -0.011 0.000 1.198 1429 I CA 1.183 62.479 61.300 -0.006 0.000 1.482 1429 I CB -0.139 37.864 38.000 0.005 0.000 1.100 1429 I HN 0.273 nan 8.210 nan 0.000 0.445 1430 L N 0.230 121.443 121.223 -0.017 0.000 2.477 1430 L HA 0.260 4.600 4.340 -0.000 0.000 0.220 1430 L C 1.366 178.222 176.870 -0.023 0.000 1.106 1430 L CA 0.499 55.326 54.840 -0.022 0.000 0.851 1430 L CB -0.055 41.988 42.059 -0.028 0.000 0.994 1430 L HN 0.412 nan 8.230 nan 0.000 0.462 1431 G N 0.565 109.351 108.800 -0.024 0.000 2.203 1431 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.231 1431 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.231 1431 G C -0.103 174.779 174.900 -0.029 0.000 1.058 1431 G CA -0.331 44.753 45.100 -0.026 0.000 0.781 1431 G HN 0.365 nan 8.290 nan 0.000 0.496 1432 Q N -0.558 119.223 119.800 -0.032 0.000 2.348 1432 Q HA 0.566 4.906 4.340 -0.000 0.000 0.271 1432 Q C 0.265 176.239 176.000 -0.042 0.000 1.067 1432 Q CA -1.077 54.705 55.803 -0.035 0.000 0.839 1432 Q CB 1.806 30.525 28.738 -0.033 0.000 1.354 1432 Q HN 0.335 nan 8.270 nan 0.000 0.447 1433 M N 2.078 121.650 119.600 -0.047 0.000 2.292 1433 M HA 0.204 4.684 4.480 -0.000 0.000 0.342 1433 M C -0.510 175.750 176.300 -0.068 0.000 1.538 1433 M CA 0.023 55.287 55.300 -0.061 0.000 1.163 1433 M CB 0.211 32.770 32.600 -0.069 0.000 1.823 1433 M HN 0.790 nan 8.290 nan 0.000 0.462 1434 A N 7.449 130.228 122.820 -0.069 0.000 2.351 1434 A HA 0.469 4.789 4.320 -0.000 0.000 0.257 1434 A C -2.358 175.171 177.584 -0.091 0.000 1.087 1434 A CA -1.266 50.730 52.037 -0.068 0.000 0.798 1434 A CB -0.354 18.610 19.000 -0.060 0.000 1.033 1434 A HN 0.614 nan 8.150 nan 0.000 0.488 1435 P HA 0.308 nan 4.420 nan 0.000 0.252 1435 P C -1.131 176.100 177.300 -0.115 0.000 1.694 1435 P CA 0.871 63.917 63.100 -0.091 0.000 1.163 1435 P CB -0.404 31.277 31.700 -0.033 0.000 1.934 1436 I N 1.001 121.482 120.570 -0.149 0.000 2.586 1436 I HA 0.335 4.505 4.170 -0.000 0.000 0.288 1436 I C 1.122 177.141 176.117 -0.163 0.000 1.147 1436 I CA -0.370 60.841 61.300 -0.149 0.000 1.047 1436 I CB 1.779 39.708 38.000 -0.118 0.000 1.244 1436 I HN 0.383 nan 8.210 nan 0.000 0.429 1437 G N 4.064 112.768 108.800 -0.159 0.000 2.698 1437 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.337 1437 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.337 1437 G C 0.996 175.802 174.900 -0.156 0.000 1.286 1437 G CA 1.076 46.105 45.100 -0.119 0.000 1.000 1437 G HN 0.552 nan 8.290 nan 0.000 0.547 1438 T N 1.121 115.598 114.554 -0.129 0.000 2.902 1438 T HA -0.129 4.221 4.350 -0.000 0.000 0.260 1438 T C 1.775 176.165 174.700 -0.516 0.000 1.064 1438 T CA 2.553 64.536 62.100 -0.195 0.000 1.152 1438 T CB -0.473 68.325 68.868 -0.117 0.000 0.810 1438 T HN 1.664 nan 8.240 nan 0.000 0.523 1439 G N -0.718 107.804 108.800 -0.463 0.000 4.144 1439 G HA2 0.513 4.473 3.960 -0.000 0.000 0.297 1439 G HA3 0.513 4.473 3.960 -0.000 0.000 0.297 1439 G C 0.603 175.237 174.900 -0.443 0.000 1.090 1439 G CA 0.255 45.055 45.100 -0.501 0.000 0.870 1439 G HN 0.456 nan 8.290 nan 0.000 0.532 1440 A N 0.417 122.925 122.820 -0.521 0.000 2.411 1440 A HA 0.695 5.015 4.320 -0.000 0.000 0.251 1440 A C 0.132 177.815 177.584 0.166 0.000 1.317 1440 A CA -0.216 51.741 52.037 -0.132 0.000 0.904 1440 A CB -0.741 18.206 19.000 -0.088 0.000 0.993 1440 A HN 0.853 nan 8.150 nan 0.000 0.504 1441 F N -4.190 115.823 119.950 0.105 0.000 3.194 1441 F HA 0.630 5.157 4.527 -0.000 0.000 0.327 1441 F C -1.614 174.234 175.800 0.080 0.000 1.141 1441 F CA -1.639 56.444 58.000 0.138 0.000 0.862 1441 F CB 0.339 39.465 39.000 0.209 0.000 1.447 1441 F HN -0.162 nan 8.300 nan 0.000 0.479 1442 D N 0.456 121.095 120.400 0.397 0.000 2.419 1442 D HA 0.701 5.341 4.640 -0.000 0.000 0.234 1442 D C -1.329 175.142 176.300 0.285 0.000 1.014 1442 D CA -0.277 53.867 54.000 0.241 0.000 0.919 1442 D CB 2.916 43.797 40.800 0.135 0.000 1.366 1442 D HN 0.548 nan 8.370 nan 0.000 0.490 1443 V N 0.570 120.600 119.914 0.193 0.000 2.540 1443 V HA 0.615 4.734 4.120 -0.000 0.000 0.302 1443 V C -0.088 176.061 176.094 0.092 0.000 1.035 1443 V CA -0.684 61.707 62.300 0.152 0.000 0.873 1443 V CB 1.583 33.501 31.823 0.158 0.000 0.992 1443 V HN 0.461 nan 8.190 nan 0.000 0.428 1444 M N 3.904 123.546 119.600 0.070 0.000 2.644 1444 M HA 0.654 5.134 4.480 -0.000 0.000 0.304 1444 M C -1.323 175.005 176.300 0.046 0.000 1.215 1444 M CA -0.648 54.683 55.300 0.052 0.000 0.871 1444 M CB 2.655 35.281 32.600 0.043 0.000 1.740 1444 M HN 0.493 nan 8.290 nan 0.000 0.464 1445 I N 1.227 121.821 120.570 0.041 0.000 2.281 1445 I HA 0.160 4.330 4.170 -0.000 0.000 0.293 1445 I C -0.252 175.883 176.117 0.030 0.000 1.085 1445 I CA -0.195 61.130 61.300 0.041 0.000 1.257 1445 I CB -0.201 37.822 38.000 0.038 0.000 1.430 1445 I HN 0.416 nan 8.210 nan 0.000 0.489 1446 D N 5.309 125.726 120.400 0.028 0.000 2.367 1446 D HA -0.046 4.594 4.640 -0.000 0.000 0.255 1446 D C 1.340 177.638 176.300 -0.003 0.000 1.300 1446 D CA 0.260 54.265 54.000 0.008 0.000 0.959 1446 D CB 0.671 41.471 40.800 0.000 0.000 1.064 1446 D HN 0.518 nan 8.370 nan 0.000 0.509 1447 E N 3.494 123.692 120.200 -0.003 0.000 2.160 1447 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 1447 E C 0.880 177.459 176.600 -0.035 0.000 0.991 1447 E CA 1.082 57.477 56.400 -0.009 0.000 0.810 1447 E CB 0.335 30.032 29.700 -0.005 0.000 0.742 1447 E HN 0.662 nan 8.360 nan 0.000 0.466 1448 E N 0.235 120.408 120.200 -0.046 0.000 2.005 1448 E HA -0.161 4.189 4.350 -0.000 0.000 0.198 1448 E C 2.114 178.633 176.600 -0.134 0.000 1.010 1448 E CA 1.765 58.121 56.400 -0.072 0.000 0.825 1448 E CB -0.176 29.487 29.700 -0.062 0.000 0.769 1448 E HN 0.308 nan 8.360 nan 0.000 0.456 1449 S N 1.052 116.652 115.700 -0.166 0.000 2.493 1449 S HA -0.154 4.316 4.470 -0.000 0.000 0.243 1449 S C 1.634 175.973 174.600 -0.436 0.000 0.991 1449 S CA 0.547 58.533 58.200 -0.357 0.000 0.957 1449 S CB -0.164 62.875 63.200 -0.269 0.000 0.756 1449 S HN 0.151 nan 8.310 nan 0.000 0.521 1450 L N 1.086 122.218 121.223 -0.151 0.000 2.718 1450 L HA 0.394 4.734 4.340 -0.000 0.000 0.242 1450 L C 0.906 177.755 176.870 -0.036 0.000 1.203 1450 L CA 0.182 55.009 54.840 -0.022 0.000 1.011 1450 L CB -0.029 42.047 42.059 0.029 0.000 1.250 1450 L HN 0.173 nan 8.230 nan 0.000 0.437 1451 V N -1.790 118.049 119.914 -0.125 0.000 3.141 1451 V HA 0.036 4.155 4.120 -0.000 0.000 0.225 1451 V C 1.850 177.895 176.094 -0.082 0.000 1.352 1451 V CA 0.174 62.432 62.300 -0.071 0.000 1.316 1451 V CB 0.138 31.920 31.823 -0.068 0.000 1.126 1451 V HN 0.248 nan 8.190 nan 0.000 0.493 1452 K N 0.078 120.361 120.400 -0.195 0.000 2.585 1452 K HA -0.055 4.265 4.320 -0.000 0.000 0.194 1452 K C -0.042 176.551 176.600 -0.011 0.000 1.037 1452 K CA 0.994 57.191 56.287 -0.150 0.000 0.964 1452 K CB -0.195 32.164 32.500 -0.235 0.000 0.787 1452 K HN 0.543 nan 8.250 nan 0.000 0.488 1453 Y N 1.899 122.201 120.300 0.003 0.000 2.907 1453 Y HA 0.217 4.767 4.550 -0.000 0.000 0.332 1453 Y C -0.080 175.823 175.900 0.004 0.000 1.211 1453 Y CA -1.057 57.045 58.100 0.004 0.000 1.387 1453 Y CB -0.081 38.383 38.460 0.005 0.000 1.396 1453 Y HN 0.019 nan 8.280 nan 0.000 0.519 1454 M N 1.337 121.028 119.600 0.151 0.000 2.561 1454 M HA 0.323 4.803 4.480 -0.000 0.000 0.166 1454 M C -3.231 173.103 176.300 0.057 0.000 0.894 1454 M CA -1.238 54.112 55.300 0.084 0.000 0.719 1454 M CB 0.255 32.894 32.600 0.065 0.000 2.677 1454 M HN 0.065 nan 8.290 nan 0.000 0.376 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.119 63.100 0.032 0.000 0.800 1455 P CB 0.000 31.716 31.700 0.026 0.000 0.726